University of Illinois at Chicago
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De Novo Design and Stabilization of β-Sheet Peptides for Biomimicry of ORR Enzymes
No full textThis dissertation presents the de novo design of novel peptide-based materials that mimic the structure and function of the laccase enzyme, with a focus on applications in energy conversion technologies. Laccase is of particular interest due to its ability to catalyze the four-electron reduction of molecular oxygen (O₂) to water (H₂O), a reaction essential for the development of next-generation energy systems such as proton exchange membrane hydrogen fuel cells (PEMFCs).
Chapter One introduces the fundamental chemistry of the oxygen reduction reaction (ORR) and highlights how fungal laccases catalyze this transformation efficiently. It also outlines the synthetic strategy for solid phase peptide synthesis employed in the design and construction of peptide models for the purpose of emulating the active site architecture of laccase.
Chapter two focuses on efforts to stabilize the β-sheet structural motif that supports the ligand environment surrounding the laccase trinuclear copper cluster (Cu₃ site). Specifically, this chapter explores how tryptophan zippers (TrpZip) mediate β-sheet formation through hairpin folds and other tertiary arrangements. Two newly designed peptides, TZ4H and TZ4H-H3AH10D, are synthesized and characterization for these peptides feature the use of circular dichroism (CD), UV-Vis spectroscopy, isothermal titration calorimetry (ITC), electron paramagnetic resonance (EPR), diffusion-ordered spectroscopy (DOSY), and single-crystal X-ray diffraction (SC-XRD). The peptides are analyzed both in their apo and metalated forms. This work features the first crystallographic evidence for a metallo-β-sheet peptide.
Chapter three introduces a macrocyclization strategy to confer maximum stability to the β-sheet motif. Additionally, this work examines how backbone N-methylation, which disrupts hydrogen bonding by installing a methyl group to the peptide backbone at the αN, influences peptide oligomerization. A series of peptides, MC4H, MC4H-MeH, MC4H-MeA, and MC4H-MeAMeH, are synthesized to evaluate these effects. Their secondary, tertiary, and quaternary structure are characterized through CD, DOSY, and SC-XRD.
Chapter four explores novel strategies for engineering a dimeric β-sheet sandwich structure, referred to as a β-sandwich. The β-sandwich is a key architectural feature in the ligand environment surrounding the Cu₃ site in laccase. This work culminates in the design and successful synthesis of a novel 25-residue β-sandwich peptide, named Pacman. The structural and functional characterization of Pacman using CD, CV, DOSY, ITC, EPR, and SC-XRD leads to the determination of its metalated structure. This represents a significant step toward functional biomimicry of laccase
Feasibility and Acceptability of Time-Restricted Eating During Chemotherapy for Breast Cancer
No full textWorldwide, breast cancer is the most frequently diagnosed cancer in females, leading to over 4 million women living with this disease. Within the United States (U.S.), one in eight women will receive a breast cancer diagnosis. Five- and ten-year survival rates have improved significantly over the years due to improvements in screening, early detection, and treatment. However, common treatments still come with side effects that decrease quality of life and may lead to factors that increase the risk of recurrence, cardiovascular disease and all-cause mortality. Additionally, social determinants of health may further increase these risks. This dissertation research examines community-level factors and diet interventions that may affect body weight and composition, treatment related outcomes, and patient-reported quality of life in women undergoing treatment for breast cancer.
Presented within this dissertation is a progression aimed at addressing weight and body composition changes in patients with breast cancer, moving from community-level, social determinants of health to a targeted, individual-level diet intervention. First, we completed an analysis of patients diagnosed with breast cancer at University of Illinois Health and Hospital System (UI Health) who were followed 18-months to examine change in weight and body mass index (BMI) and the association with neighborhood area deprivation. This is followed by a review on individual level-interventions through a systematic review on current diet and lifestyle interventions for patients undergoing acute treatment for breast cancer that reported on outcomes specific to body weight and composition, treatment related outcomes and patient reported quality of life. Finally, informed by the systematic review, we narrowed our focus to one promising area of interventions, intermittent fasting. We report on of the feasibility and acceptability of time-restricted eating, a form of intermittent fasting, among women receiving chemotherapy treatment for breast cancer at UI Health. We also explored the preliminary effects of time restricted eating (TRE) on body weight and composition, treatment related outcomes, and patient-reported quality of life.
The research within this dissertation highlights the importance of both community and individual-level factors as well as highlighting current lifestyle interventions that may impact a patient’s weight trajectory after a breast cancer diagnosis. We completed a single arm pilot trial demonstrating the feasibility and acceptability of a TRE intervention among women diagnosed with breast cancer, initiating chemotherapy. Although feasible and well accepted by participants, we were not able to recruit an adequate sample size indicating the need for multi-site collaborations. Patients following TRE were able to decrease overall weight and BMI while maintaining lean mass and reported increased emotional well-being. The preliminary data generated from this intervention will be used in the development of a fully powered, randomized controlled trial of TRE during chemotherapy for breast cancer
SARS-CoV-2 wastewater and epidemiological data from Kisumu Kenya
No full textThis data repository contains wastewater-based and epidemiological data collected in Kisumu, Kenya, between March 29, 2022 and March 8, 2023. Wastewater-based data was generated from samples (n=161) collected and extracted by trained professionals from centralized wastewater treatment sites (n=41) and from decentralized sites: hospitals (n=50), public toilets in markets (n=31), and public toilets at transportation hubs (n=39). The presence or absence of SARS-CoV-2 RNA and its concentration if present were measured using RT-qPCR. Epidemiological data was gathered from two sources, COVID-Dx platform and the Kisumu County Health Information Office. This epidemiological data includes the number of SARS-CoV-2 tests conducted, the number of positive tests, and the number of COVID-19 related admissions from the four largest hospitals in Kisumu: JOOTRH, Kisumu County Referral Hospital, Avenue Hospital, and Aga Khan Hospital. The odds of detecting one or more COVID-19 cases within 4-7 days after a positive WBS sample were 9 times higher than on days with negative WBS samples.T_min : Minimum daily temperatureT_max: Maximum daily temperatureAverage_WBS_conc : Average Wastewater based SARS CoV-2 concentration Gene copies/mlCat_WBS : Absence or presence of SARS CoV-2 in Wastewater samples logconc : Log concentration WWTP : Average WBS concentration in wastewater treatment plant samples Transport_public_toilets : Average WBS concentration in bus terminal wastewater samples Market_public_toilets : Average WBS concentration in market wastewater samples Hospitals : Average WBS concentration in hospital wastewater samples Total_tests : Total number of COVID-19 tests conducted in the four hospitalsTotal_positives : Total number of positive COVID-19 tests from the four hospitalsTotal_admissions : Total number of COVID-19 related admissions in the four hospitalsCum_pos_3daysbefore : Cumulative number of positive COVID-19 tests within 3 days before a wastewater sample collection dateCum_pos_7daysbefore: Cumulative number of positive COVID-19 tests within 7 days before a wastewater sample collection dateCum_pos_15daysbefore : Cumulative number of positive COVID-19 tests within 15 days before a wastewater sample collection dateCum_pos_3daysafter : Cumulative number of positive COVID-19 tests within 3 days after a wastewater sample collection dateCum_pos_7daysafter : Cumulative number of positive COVID-19 tests within 7 days after a wastewater sample collection dateCum_pos_15daysafter : Cumulative number of positive COVID-19 tests within 15 days after a wastewater sample collection date</p
High on Hemp: The Proliferation of, Public Health Implications, and Policy Debate over Regulating Hemp-Derived Psychoactive Products
No full textThis policy spotlight discusses the current unresolved issue of hemp-derived products that contain psychoactive drugs being sold for consumption in Illinois and many other states without federal or state regulation and oversight. Made possible by a loophole in federal legislation, these unregulated hemp-derived products can and often do contain psychoactive drugs on par with or surpassing the potency of cannabis-derived products that are closely licensed and regulated by the state.The sale of hemp-derived products has proliferated across the United States over the last five years, fueled in part by the lack of regulation and licensing. The proliferation has caused public health concerns, as sales of these products are presently not age-restricted and can be purchased online or at a wide and growing variety of outlets, including “smoke shops”, convenience stores, and gas stations. Additional health concerns are attributable to the lack of production oversight, testing, and quality control, resulting in impurities such as heavy metals and volatile solvents that are used in processing as well as pesticides and pathogens being retained in the final products sold to and consumed but the public.</p
Does Acute Aerobic Exercise Improve Executive Functioning?
No full textResearch has suggested that exercise may impact executive functioning, though results are inconsistent. This study examined whether acute aerobic exercise improves performance on either inhibitory control or updating tasks or both. Using a 2x2 design, participants were randomly assigned to an exercise (stationary bike) or no-exercise (reading) control condition and completed inhibitory control (Stroop Squared, Flanker Squared, Simon Squared) and updating tasks (Picture Span, Rotation Span, Mental Counters) before and after their assigned activity. The exercise group rode a stationary bike for 15 minutes at 50%-59% of their maximum heart rate, and waited for 15 minutes before completing tasks. The no-exercise group read magazines for 30 minutes. While improvements were observed on inhibitory control and updating tasks from before to after the activity, no significant differences were found between exercise and control conditions
The Affordances of Gesture for Learning and Communicating About Spatial and Nonspatial Aspects of Gases
No full textThis dissertation discusses the affordances of hand gestures for communicating and learning about chemistry topics, specifically comparing the utility of gestures for spatial and nonspatial aspects of gases in General Chemistry. The theoretical framework of this work is embodied cognition, and through this lens, gesture serves as both an input and output of cognition.
This research includes a qualitative study on spontaneous gestures produced by learners and an experiment investigating the differential effects of various methods of gestured instruction on learner answers to spatial and nonspatial questions. In the qualitative study, students completed an assessment wherein question content was categorized a priori as spatial or nonspatial, and they subsequently participated in one-on-one retrospective think-aloud interviews. Student gestures were analyzed from videos of these interviews, and analysis revealed the ubiquity of gestures specifically representing spatial concepts such as collisions between gas molecules.
In the second study, students individually were presented with a lesson on gases including choreographed gestures, and they completed a pre- and posttest to measure learning. Students were randomly assigned to one of three instructional conditions for the lesson: observing the instructor’s gestures, mimicking the instructor’s gestures, or a no gesture control group. There was not a significant difference in learning between conditions.
Taken together, these findings further the understanding of gesture use and processing in chemistry education contexts
Effects of Δ9-Tetrahydrocannabinol on Neural Reward Anticipation Among Young Adult Cannabis Users
No full textBackground: Problematic cannabis use is associated with alterations in neural reward processing, but the direction and nature of these changes remain unclear. Prior evidence suggests cannabis exposure may relate to heightened or blunted striatal reward responses depending on severity and chronicity of use, while acute delta-9-tetrahydrocannabinol (Δ⁹-THC) intoxication may further modulate these effects, though findings are mixed. The present study explored (1) the relationship between problematic cannabis use and neural reward anticipation, (2) the effects of acute Δ⁹-THC intoxication on reward anticipation and whether problematic use moderates this relationship, and (3) associations between self-reported cannabis use metrics and neural reward anticipation under placebo (PBO) and Δ⁹-THC conditions.
Methods: Young adult cannabis users (N=31) participated in a within-subjects, randomized, double-blind, placebo-controlled study. Participants completed self-report measures of cannabis use at baseline, then completed the Monetary Incentive Delay task during functional magnetic resonance imaging approximately 120 minutes after ingesting 7.5 mg oral Δ⁹-THC (dronabinol) or PBO in a crossover design. Neural reward anticipation (Win > Null) was examined in three striatal regions of interest (ROIs): the nucleus accumbens (NAcc), caudate, and putamen. Multiple linear regressions examined the relationship between problematic cannabis use and reward anticipation under the PBO condition (Aim 1). Repeated-measures analyses of covariance (RM-ANCOVAs) tested main and interactive effects of Δ⁹-THC (vs. PBO) and problematic cannabis use on reward anticipation (Aim 2). Correlations explored relationships between cannabis use frequency and recency metrics and reward anticipation (Aim 3).
Results: Regarding Aim 1, regression analyses revealed a significant quadratic relationship between problematic cannabis use and reward anticipation in the caudate (β = −0.01, p = .031) and putamen (β = −0.02, p = .021), forming an inverted U-shaped pattern where activation was elevated at moderate levels of problematic use but decreased at both lower and higher levels. This quadratic effect remained robust in the putamen across sensitivity analyses. No significant linear or quadratic associations were observed in the nucleus accumbens. Regarding Aim 2, RM-ANCOVAs revealed Δ⁹-THC did not significantly relate to reward anticipation (compared to PBO) in any region (ps > .15), nor did it interact with problematic cannabis use. The quadratic effect of problematic use persisted across both drug conditions in the caudate (F = 6.29, p = .018) and putamen (F = 5.93, p = .022). For Aim 3, cannabis use frequency, recency, and urine drug screen results were not significantly correlated with neural reward anticipation in any ROI under either condition (all p-values ≥.18).
Conclusions: Acute Δ⁹-THC intoxication did not significantly alter reward anticipation across striatal ROIs, nor did it interact with problematic cannabis use. Across both PBO and Δ⁹-THC sessions, the caudate and putamen displayed a quadratic relationship between problematic use and reward anticipation, with heightened activation at moderate levels of problematic use and reduced activation at higher levels. This pattern was the most robust in the putamen. Frequency-based metrics were not significantly correlated with reward anticipation in any condition. Together, results suggest that differences in reward circuitry may be more closely linked to the severity and consequences of use rather than frequency or acute intoxication alone. Findings emphasize the need to consider both individual differences and qualitative aspects of cannabis use when evaluating its impact on reward circuitry and the neurobiological underpinnings of problematic cannabis use
Understanding Teacher Leadership Development in a Research Practice Partnership: A Situative Perspective
No full textTeachers can play critical roles in educational change efforts, such as adopting new standards or implementing ambitious instruction. Similarly, teacher leadership has been recognized as a vital component of school improvement efforts. This study explored teacher leadership development through the lens of situative learning by investigating the participation of two teachers in a research practice partnership aimed at improving math teaching and learning within a public elementary school district. The trajectory of teacher participation in district-wide improvement efforts was analyzed through four dimensions of situativity: participation, identity, afforded activities, and positioning. Data sources include interviews, observations, and artifact collection. Findings reveal that teachers had the ability to simultaneously participate in district-wide improvement efforts as both valued contributors and as learners, while consistently being positioned with authority to freely provide feedback and take initiative. Results of the study not only provide insight into teacher learning and teacher leadership development, but also highlight the processes and outcomes of RPPs
AI-Driven Discovery and Multiscale Computational Frameworks for Carbon-Based Materials
No full textThis dissertation develops a unified, data-driven framework for carbon-based materials discovery that integrates generative artificial intelligence, multiscale simulations, and reactive dynamics to accelerate research central to carbon-to-X technologies. Chapter 2 establishes a one-directional workflow in which a generative AI model autonomously proposes novel metal–organic frameworks (MOFs) for carbon capture, followed by multiscale physics-based screening. 120,000 MOF AI-generated candidates are evaluated through an array of screening methods that validate structure and property of MOF, yielding 6 structures with CO2 uptakes exceeding 2 mol/kg at 0.1 bar and 300 K—demonstrating that generative design coupled with high-throughput validation can efficiently navigate the vast MOF design space. Chapter 3 extends this framework into a closed-loop, property-guided generative system. Here, an oracle-based scoring function provides feedback from machine learning predicted adsorption metric, dynamically steering the generative model toward desirable regions of the property space. This self-optimizing loop improves both discovery efficiency, physical fidelity, and design success rate. Chapter 4 transitions to nanocarbon systems, employing reactive molecular dynamics and machine-learning prediction to investigate the temperature- and pressure-dependent graphitization of nanodiamond surfaces, revealing atomistic pathways for sp3-to-sp2 transformation. Chapter 5 explores the co-pyrolysis of cellulose–graphene mixtures through reactive dynamics, coupled with non-equilibrium Green’s function (NEGF) formalism to quantify key molecular junctions for electron transport. Together, these studies unify porous, sp2, and hybrid carbon materials within a coherent methodological and conceptual framework. By combining forward generative design, feedback-driven optimization, and transport-level modeling, this work contributes a scalable paradigm for AI-accelerated carbon-materials innovation aligned with global carbon capture, utilization, and conversion goals
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