Physical Sciences and Mathematics Commons^™

Impediments To Transforming The Healthcare Delivery System: Shifting The Paradigm From Provider Centric To Patient Centric, Elizabeth A. Regan, Manasa Devi Chinta

Faculty Publications

Introduction: 

Stated aims for digital healthcare transformation frequently cite goals for better coordinated patient-centric systems. However, despite advances in medical science, digital technologies, health policies, and billions of dollars invested over the past 25 years, most healthcare providers are far from fully realizing the demonstrated benefits of today's digital technologies for improving patient care. Sharing information across healthcare systems remains challenging. Problems with fragmentation, quality, inequities, and rising costs of care delivery persist. A recent study of 1,026 U.S. hospital systems found that only 15.8 percent achieved a digital maturity level needed to provide digitally enabled healthcare services to better …

Transfer Learning Neural Networks For Nuclear Forensic Image Morphology Using Image Splitting Techniques, Niko A. Petrocelli, Lee C. Lambert, Brett J. Borghetti, Abigail A. Bickley

Faculty Publications

Manual morphological analysis of actinide particles from scanning electron microscope (SEM) imagery is a critical component of nuclear forensics but is prone to significant inter-analyst variability. To address this challenge, this work develops and evaluates an automated classification method using deep learning. We introduce a methodology based on partitioning 1906 SEM images, representing 13 classes of uranium compounds, into smaller patches for analysis. Three convolutional neural network (CNN) architectures of increasing complexity were compared: a custom baseline CNN, a simple transfer learning model using ResNet50v1, and a complex model featuring hierarchical feature extraction and a spatial attention mechanism built upon …

Complex Spin Structure In Co-Trimer-Chain Li2Co3Se4O12, Jie Xing, Feng Ye, Daniel Duong, Sai Mu, Max T. Pan, Rongying Jin

Faculty Publications

Complex magnetic materials are extremely attractive for revealing unconventional spin states and novel magnetic excitations. Here, we report the structural, thermodynamic, and magnetic properties of a novel magnetic material Li₂Co₃Se₄O₁₂based on x-ray and neutron diffraction, specific heat, magnetization, and x-ray photoelectron spectroscopy measurements. X-ray and neutron diffraction refinements reveal two Co sites Co (1) and Co (2) even though both are in the octahedral environment. While they are not connected along the b and c directions, these octahedra are edge-shared forming the Co (2) – Co (1) – Co (2) trimer chain …

Ecology And Life History Of Baleen Whales Inform Climate Change Vulnerabilities And Priorities For Future Monitoring, Lesley H. Thorne, Erin L. Meyer-Gutbrod

Faculty Publications

Baleen whales are key consumers in marine habitats that serve as vectors of nutrients, but their populations have been slow to recover from past commercial whaling due to their low reproductive rates and ongoing anthropogenic threats. Climate impacts have become central to the demography and habitat use of baleen whales, and conservation efforts must account for these impacts to be effective. However, knowledge of baleen whale climate responses is lacking, and current survey effort is insufficient to capture changes in migration and habitat use for many species. Due to their unique combination of ecological and life history characteristics, baleen whales …

Dynamic Magnetic Null Behavior In Planar Ion Diodes: Particle-In-Cell Analysis Of Field Oscillations And Ion Beam Dynamics, Jesse C. Foster, Stephen B. Swanekamp, Paul F. Ottinger

Faculty Publications

Particle-in-cell simulations of a 1.75 MV, 375 kA, and 50 ns planar pinched-beam diode reveal that the strongest gigahertz-frequency oscillations in electric field and ion current arise from the dynamic motion of the magnetic null near the anode tip. These oscillations, which appear when the ion transit time becomes comparable to the local field-variation timescale, periodically expand the effective anode–cathode gap and generate bursts of over-accelerated ions. The resulting ion energy spectrum broadens substantially near the null while maintaining excellent beam uniformity along the anode. The simulations, therefore, demonstrate a direct physical linkage between ion transit time instability and magnetic …

Does Genetic Testing Influence Outcomes: Early Experience In Melanoma Case Series, Ryan Reyes, George Skenteris, Stella Coker Watson Self Ph.D., Ms, Christine Marie-Gilligan Schammel, Steven D. Trocha

Faculty Publications

Background:

The treatment and prognosis of melanoma have historically been based on histologic stage and Breslow depth; however, due to the increase in surveillance, melanomas are being identified at an earlier stage and lower Breslow depth. Advances in genetic testing, such as Decision Dx®, mean that melanoma diagnostic decisions and prognosis can now be directed by genetics. The purpose of this project was to assess the influence of a Decision Dx® high-grade (Class 2A/B) classification on the treatment of melanoma patients at a regional medical center, particularly those not deemed high risk by conventional classification methods, including Breslow depth and …

Experiments Towards A Neutron Target For Measurements In Inverse Kinematics, S. F. Dellmann, Caroline M. Harrington, O. R. Cantrell, A. L. Cooper, A. Couture, D, V, Gorelov, I Knapová, S. M. Mosby, R. Reifarth, A. Alvarez, A. Aprahamian, J. Butz, I. J. Bos, Michael T. Febbraro, T. Hankins, B. M. Harvey, T. Heftrich, M. Le, Juan J. Manfredi, A. B. Mcintosh, K. V. Manukyan, M. Matney, S. Regener, D. Robertson, A. Simon, D. Sokolovic, E. Stech, G. Tabacaru, W. Tan, M. Wiescher, S. Yennello

Faculty Publications

Neutron-induced reactions play an important role in fundamental nuclear physics, nuclear astrophysics, and applications. In the case of reactions on rare isotopes, there are limited options for direct experimental measurements. The Neutron Target Demonstrator project at Los Alamos National Laboratory seeks to test the feasibility of moderating spallation neutrons within a 1 m³graphite cube to create a standing neutron target for neutron-induced reaction measurements in inverse kinematics. This paper presents the results of experimental neutron flux distribution tests using neutron sources (ranging from 1 keV to 50 MeV) created by accelerators at the University of Notre Dame and …

Exosome Engineering For Blocking Gut Dysbiosis And Inducing Cell Death Mechanisms In Glioblastoma Multiforme, Ahalya Muraleedharan, Karthik Rangavajhula, Swapan K. Ray

Faculty Publications

Glioblastoma multiforme (GBM) is the most lethal primary brain tumor in adults. Emerging evidence endorses that gut dysbiosis contributes to GBM progression through the gut–brain axis (GBA), promoting inflammation and therapeutic resistance via abnormal short-chain fatty acid production and cytokine dysregulation. Exosomes, naturally occurring nanovesicles (30–150 nm), offer promising therapeutic potential due to their blood–brain barrier permeability, biocompatibility, and versatile cargo capacity. This review examines exosome engineering strategies for dual targeting: inhibiting alterations in gut microbiome and inducing regulated cell death mechanisms such as apoptosis and ferroptosis in GBM. We describe exosome engineering with detailed focus on cargo loading approaches …

Egain Tube Memristors Offering Reliable Switching On A Biological Time Scale, Yuriy V. Pershin, Liya Patel, Bapi Bera, Doug Aaron, Stephen A. Sarles

Faculty Publications

Memristive devices have been considered promising candidates for nature-inspired computing and in-memory information processing. However, experimental devices developed to date typically show significant variability and function at different time scales than biological neurons and synapses. This study presents a memristive device comprised of liquid-metal eutectic gallium indium (EGaIn) contained within a mm-scale tube that operates via a bulk, voltage-dependent switching mechanism and exhibits distinct unipolar resistive switching characteristics that occur on a biological time scale (tens of milliseconds). The switching mechanism involves voltage-controlled growth and dissolution of an oxide layer on the surface of the liquid metal in contact with …

The Detection Of Marine Microseismic Activity With The Cuore Tonne-Scale Cryogenic Experiment, D. Q. Adams, C. Aldunio, K. Alfonso, A. Armatol, Frank Avignone Iii, O. Azzolini, G. Bari, F. Bellini, G. Benato, M. Beretta, C. Bucci, J. Camilleri, A. Caminata, A. Campani, J. Cao, C. Capelli, S. Capelli, L. Capelli, J. Capelli, A. Caminata, Et. Al.

Faculty Publications

Vibrations from experimental setups and the environment are a persistent source of noise for low-temperature calorimeters searching for rare events, including neutrinoless double beta (0νββ) decay or dark matter interactions. Such noise can significantly limit experimental sensitivity to the physics case under investigation. Here, we report the detection of marine microseismic vibrations using mK-scale calorimeters. This study employs a multi-device analysis correlating data from CUORE, the leading experiment in the search for 0νββ decay with mK-scale calorimeters, and the Copernicus Earth Observation program, revealing the seasonal impact of Mediterranean Sea activity on CUORE’s …

Rapid Single-Cell Measurement Of Transient Transmembrane Water Flow Under Osmotic Gradient, Hong Jiang, Jinnawat Jongkhumkrong, Y. J. Chao, Qian Wang, Guiren Wang

Faculty Publications

Aquaporins (AQPs) are critical for transmembrane water transport in response to osmotic gradients, but their gating and regulatory mechanisms remain poorly understood. A central challenge is the lack of methods to measure water flow across AQPs from individual cells with the spatiotemporal resolution and sensitivity equivalent to patch-clamp recordings of ion fluxes—a limitation stemming from the electrically silent nature of water flow. Here, we present a novel optical technique—Flow-Induced Fluorescence Increase Velocimetry (FIFIV) based on Laser-Induced Fluorescence Photobleaching Anemometry (LIFPA)—that enables direct, real-time monitoring of cytoplasmic flow induced by transmembrane water transport under osmotic pressure gradients. Using small molecular fluorescent …

Association Between Dietary Folate And Prostate Cancer Aggressiveness Among African Americans And European Americans, Lihchyun Joseph Su, Sarah O'Connor, Daniela Ramirez Aguilar, Minjae Lee, Harrison Wong, Hui-Yi Lin, Jeannette T. Bensen, James L. Mohler, Lenore Arab, Longgang Zhao, Ebonee N. Butler, Laura Farnan, Susan E. Steck Phd, Mph, Rd

Faculty Publications

Background: Despite the confirmed beneficial effects on preventing neural tube defects, concerns about high intakes of synthetic folate, or folic acid, in promoting cancer progression have been raised. This study evaluated the association between folate intake and prostate cancer (PCa) aggressiveness among African-American (AA) and European-American (EA) males. Methods: This study included 722 AA and 775 EA men with prostate cancer. Folate intake (dietary folate equivalent (DFE), synthetic folate, natural folate) was estimated using the National Cancer Institute Dietary History Questionnaire and detailed dietary supplement use questionnaire. Analyses included univariable comparisons of demographic and clinical characteristics of the two racial …

Discovery Of Dynamical Structures Mapping Chaotic Transport Pathways In The Earth–Moon Cr3bp, Tyler J. Kapolka, Christina E. Paljug, Robert A. Bettinger, Rachel Oliver, Bruce A. Cox, Jeremiah A. Specht

Faculty Publications

Chaos; Deterministic chaos; Earth–Moon system; Poincaré map; Quasi-chaotic; Surface of section /// For the Circular Restricted 3-Body Problem (CR3BP), the topologies present within a Poincaré map enable the extraction of useful information regarding periodic, quasi-periodic, and chaotic trajectory behavior. Aside from the prominent topologies that follow distinct concentric patterns around fixed points, indicative of the periodic and quasi-periodic motion that is often the central focus of CR3BP research, there are also many “dusty” regions on the Poincaré map that appear random without an apparent structure and are indicative of chaotic motion. This paper, for the first time in literature, identifies …

A New Highly Oxygen-Deficient And Cubic Pr3Zro8-Δ For Intermediate-Temperature Thermochemical Production Of Oxygen And Hydrogen, Jiaxin Lu, Yongliang Zhang, Luhong Chen, Yan Chen, Ke An, Yasser Shoukry, Xinfang Jin, Zhi-Hao Wang, Sai Mu, Kevin Huang

Faculty Publications

Two-step thermochemical cycles offer a clean route for hydrogen and oxygen production but are typically limited to high temperatures exceeding 1500 °C. Lowering operating temperatures would enable the use of alternative heat sources such as industrial waste heat. Here, we report Pr₃ZrO₈ as a new enabling material for efficient intermediate-temperature redox cycling, with thermal reduction at 900 °C in argon and steam oxidation at 400 °C. Pr₃ZrO₈ adopts a face-centered cubic structure similar to CeO₂ but exhibits significantly greater oxygen deficiency, achieving average oxygen and hydrogen fluxes of 331.7 and 70.3 µmol·g-1, respectively, …

Trends In Self-Reported Responses To Nutrition Facts Labels Before And After Nutrition Labeling Policy Implementation: A Comparison Of Adults In The United States And Mexico, Jim Thrasher Ph.D., Ma, Ms, Victor Vilalobos, Dai Fang, Alejandra Jáuregui, Alejandra Contreras-Manzano, Rachel Davis Ph.D., Lana Vanderlee, Christine M. White, Rachel B. Acton, James W. Hardin, Edward A. Frongillo Jr. Ph.D., Simón Barquera, David Hammond

Faculty Publications

Background

Objectives

Methods

Uranium Chemical Compound Classification Using Sub-Images And Statistical Machine Learning For Nuclear Forensics, Lee C. Lambert, Brett J. Borghetti, Abigail A. Bickley

Faculty Publications

Uranium particle analysis from Scanning Electron Microscope (SEM) imagery is a crucial tool in nuclear forensics. The particle morphology lexicon proposed by Tamasi et al. in J Radioanal Nucl Chem 307, 1611–1619 (2016) follows a standardized, manual identification process to identify particle morphology features. The present work seeks to mirror this methodology using computer feature selection from the scikit-image Python library rather than human classification. Using a random forest classifier, a 56% overall uranium true positive classification accuracy (a 39.6% balanced classification accuracy) was achieved on a test set outperforming a naïve (chance) model by 48%. The methodology introduced splits …

A Transcriptional Program Associated With Neurotransmission In The Living Human Brain, Alexander W. Charney, Lora E. Liharska, Eric Vornholt, Alissa Valentine, Anina Lund, Alice Hashemi, Ryan C. Thompson, Terry Lohrenz, Jessica S. Johnson, Nicole Bussola, Esther Cheng, You Jeong Park, Salman Qasim, Alisha Aristel, Lillian Wilkins, Kimia Ziafat, Hannah Silk, Lisa M. Linares, Brendan Sullivan, Claudia Feng, Beniamino Hadj-Amar Ph.D.

Faculty Publications

At the foundation of neurotransmission, and by extension at the foundation of brain function, are coordinated programs of gene expression involving many thousands of genes. These programs are poorly defined in humans because most modern studies that characterize human brain gene expression use tissue obtained in the postmortem state when neurotransmission and brain function have ceased. Here, to advance knowledge of the gene expression programs at the foundation of neurotransmission in the human brain, gene expression was characterized in 130 prefrontal cortex (PFC) samples obtained from participants of the Living Brain Project (LBP) during neurosurgical procedures in conjunction with intracranial …

Survival On Image Regression With Application To Partially Functional Distributional Representation Of Physical Activity, Rahul Ghosal, Sunwoo Emma Cho, Marcos Matabuena

Faculty Publications

Technological advancements in wearable devices and medical imaging often lead to high-dimensional physiological signals in the form of images or surfaces. To address these data structures, we develop a novel survival on image regression model with a specific focus on partially functional distributional representation of wearable data. The existing approaches for functional data and survival outcomes have been primarily developed for uni-dimensional functional predictors. Drawing on recent developments in distributional data analysis, we model temporally varying distributional patterns of physical activity (PA) as a partially functional distributional predictor within a semiparametric Cox model framework. We use tensor product splines to …

Environmental Chemicals And Maternal Depression During And After Pregnancy: A Scoping Review, Pengfei Guo, Yunyue Shi, Cindy Nguyen, Haoran Zhuo, Tormod Rogne, Zeyan Liew

Faculty Publications

Purpose of Review

There is increasing evidence that several environmental exposures may pose a risk for depression, including maternal depression. We conducted a scoping review of epidemiological evidence regarding maternal exposure to environmental chemicals and perinatal depression.

Recent Findings

We searched PubMed, Embase, Web of Science, Dimensions, and Scopus, and summarized the findings from 27 articles that examined environmental chemical exposures and maternal depression. Studies of ambient air pollutants (N = 11) showed exposure to NO₂ and PM10 to be most consistently associated with antenatal or postnatal depression. Studies of endocrine-disrupting chemicals, including phthalates (n = 6), …

Limit Theorems For Andrews’ Restricted Overpartitions, Tapas Bhowmik, Alex Cao, Jack Frew, John Lehman, Wei-Lun Tsai

Faculty Publications

The study of overpartitions in recent years has been used to great effect in various fields, including hypergeometric series, q-series identities, and mathematical physics. We investigate the limiting distributions of the number of parts in a family of overpartitions of n,  introduced by Andrews, where parts are counted with two different weights. Using Andrews’ identities and the saddle-point method, we establish two central limit theorems (CLTs) for the number of parts as n → ∞, corresponding to these weightings. We also derive explicit formulas for the mean and variance in each case.

Vegetation Enhances Nitrogen Removal In Stormwater Ponds In Coastal South Carolina, Darcy Perin, Annie Bourbonnais

Faculty Publications

Coastal development and the increase in impervious surfaces lead to greater stormwater volumes, a key contributor to nonpoint source pollution. Stormwater ponds are generally highly efficient in eliminating particle-bound nutrients, such as phosphorus, but are often much less effective at removing dissolved nutrients, like nitrogen. Excess inorganic nitrogen can lead to coastal eutrophication, harmful cyanobacterial blooms, and coastal hypoxia. However, inorganic nitrogen can be removed from the environment through several different microbially facilitated processes. This research aims to estimate the rates of nitrogen removal (i.e., by denitrification), the net N₂ fluxes, and internal recycling (DNRA) across the sediment-water interface …

Assessing The Threat Of Southern Pine Beetle To Pitch Pine In Acadia National Park, Caroline R. Kanaskie, Mark J. Ducey, Jeff R. Garnas

Faculty Publications

Many of the mountain summits of Acadia National Park (ACAD) are dominated by Pinus rigida (Pitch Pine). The ACAD Pitch Pine population is particularly valuable due to its position at the northernmost edge of the species’ range, its association with unique animal and plant communities, and its contribution to the aesthetics of the park. Pitch Pine is host to Dendroctonus frontalis (Southern Pine Beetle [SPB]). As the name suggests, SPB is native to the southeastern US, and can kill large numbers of healthy pines via mass-attack. With warming winters, SPB can establish and persist further north than ever before, presenting …

The Structure, Pathogenesis, And Inhibition Of The P53-Mdm2 Pathway, Amanda L. Brown, Xiaoying Lian, Qian Wang

Faculty Publications

The p53 tumor suppressor protein plays a central role in maintaining genomic stability by regulating cell cycle arrest, apoptosis, and DNA repair under cellular stress. Mouse double minute 2 (MDM2), an E3 ubiquitin ligase, negatively regulates p53 via direct binding and proteasomal degradation. Overexpression or amplification of MDM2 can disrupt this pathway and promote tumorigenesis, even in cancers with wild-type p53. This review outlines the structural features of MDM2, particularly its N-terminal hydrophobic pocket and C-terminal RING domain, and their roles in p53 regulation. We further examine the pathological effects of MDM2 dysregulation and SNPs linked to increased cancer risk. …

Understanding The 2016–2018 Freshening Dynamics Of The Beaufort Gyre Through Observations And Model Reanalysis, Christina Gregory, Ganesh Gopalakrishnan, Bulusu Subrahmanyam

Faculty Publications

The Beaufort Gyre (BG) in the Arctic Ocean has experienced rapid changes in losing extensive amounts of sea-ice and undergoing freshening over the past few decades. In this study, we highlight important recent changes in BG’s surface circulation, and its impact on freshwater (FW) fluxes and freshwater content (FWC) and draw attention to the critical importance of continuous monitoring of BG dynamics. Using satellite observations of the upper ocean state and ocean and atmospheric reanalysis, here we attempt to understand the anomalous behavior of BG dynamics over the past few decades. In recent years, atmospheric forcings increasingly influenced important judications …

Ecologic Factors Contributing To West Nile Virus Hyperendemicity In Central South Carolina: An Integrated Vector–Human–Environmental Study, Elba S. Fridriksson, Ahayla Muraleedharan, Kyndall C. Dye-Braumuller, Madeleine M. Meyer, Kia Zellars, Hiuxuan Li, Melissa S. Nolan Ph.D., Mph

Faculty Publications

West Nile virus (WNV) is an endemic arboviral infection in the United States that has undergone phyloge-netic evolution since its introduction 25 years ago. An integrated vector–human–pathogen study was conducted in the summer of 2023 to unearth contemporary Culex quinquefasciatus habitat patterns and human transmission spillover foci in South Carolina, a state with historically little WNV data. A serosurvey revealed WNV seroprevalence 10 times the national average (22% versus 2%, respectively), with unusual epidemiologic risk factors. Female Culex quinquefas-ciatus WNV positivity was low (2.7%), with viral phylogenetics 100% homologous to the WN02 clade. Mosquito vectors clustered in affluent urban neighborhoods …

Boronate Esters For The Binding And Detection Of Low Molecular Weight Volatile Amines, Xiaoning Li, James Boyt, Steven Sloope, Luke T. Lackovic, Mark D. Smith, James J. Lavingne

Faculty Publications

Conjugated thiophene-based diboronate esters, 1–4, were synthesized to investigate how substituents on catechol alter the Lewis acidity and accessibility to boron, and influence binding interactions with low molecular weight Lewis basic amines. Crystallographic analysis indicated that both boron centres bind analyte and that Lewis base coordination induces deplanarization of the conjugated system. Spectroscopic studies demonstrate that amine binding disrupts conjugation, producing distinct and reproducible optical responses that depend on analyte basicity and structure, with association constants in organic solvent ranging from 10³ to 10⁶ M⁻¹. Quantitative binding analyses indicate strong negative cooperativity between the two boron …

Impact Of Iron-Bearing Fillers On The Mechanical Strength And Chemical Stability Of Magnesium Potassium Phosphate Matrices Incorporating Rhenium, Sergey Sayenko, Volodymyr Shkuropatenko, Hans Conrad Zur Loye, Petr Vecernik, Monika Kiselova, Vlastislav Kašpar, Vlastimil Miller, Petr Bezdicka, Jan Šubrt, Petra Ecorchard, Natalija Murafa, Iva Milisavljevic, Scott T. Misture

Faculty Publications

We report on the study of the immobilization process of non-radioactive rhenium (Re), a chemical analogue of technetium-99 (⁹⁹Tc), in compounds based on magnesium potassium phosphate (MKP), as well as the possibility of enhancing their properties with iron-bearing additives/fillers. Powdered Re2O7 was used as the initial Re-containing source. Because of the solubility and high leachability of Tc (VII), which is also volatile at high temperatures, its immobilization for long-term storage and disposal poses a serious challenge to researchers. Taking this into account, low-temperature stabilization technology based on MKP, a cementitious material, is currently considered promising. We prepared experimental …

Future Trends In Cybersecurity: A Meta-Review, Yara Mohammed, Manar Alsaid, Gahangir Hossain

Faculty Publications

The increasing importance of cybersecurity in protecting digital assets, data and infrastructures necessitates a reevaluation of research priorities within the discipline. As of today, numerous emerging cybersecurity topics are gaining significant importance in both academic research and industry applications. To identify recent trends in cybersecurity topics, this study extracts scholarly articles from two prestigious academic databases, the ACM Digital Library, and Google Scholar, covering the period from early 2015 to late 2024.Through a systematic identification of trends and focal points in cybersecurity research, a comprehensive analysis is facilitated, including Latent Dirichlet Allocation (LDA), Biterm Topic Modeling (BTM), keyword frequencies, and …

Patient-Specific Lumped-Parameter Model For Quantifying Vessel-Specific Remodeling And Predicting Right Ventricular Function In Pulmonary Hypertension, Christopher G. Lechuga, Amirreza Kachabi, Mitchel J. Colebank, Claudia E. Korcarz, Farhan Raza

Faculty Publications

Purpose: Pulmonary hypertension (PH) is a heterogeneous disease with patient-specific variability and vessel-specific remodeling, which eventually lead to right ventricular (RV) failure. The gold standard for RV assessment—pressure–volume (PV) loop acquisition—is invasive and limited to specialized settings. This study aims to develop a patient-specific lumped-parameter model that quantifies vessel-specific remodeling and simulates RV PV loops across PH phenotypes using routine clinical data.

Methods: A lumped-parameter model was calibrated using right heart catheterization and echocardiography data. Model agreement was assessed by R2 values for pressure and flow goodness-of-fit, and model-derived hemodynamic metrics were comparedwith clinical values. A dimensionality reduction approach was …

Characterization Of Ru(Ii) Polypyridyl Photosensitizers Bound To Tio2 Supports Through A New Covalent Metal-Ester Bonding Motif, D. M. S. C. Dissanayake, Christopher T. Lebarron, Laura C. Maybach, Joseph J. Kuchta Iii, Seyyedamirhossein Hosseini, Aaron K. Vannucci

Faculty Publications

The development of photoelectrochemical (PEC) devices involves the attachment of molecular photosensitizers onto solid supports. Particularly significant to this work are PECs that rely on ruthenium-based photosensitizers on high band gap metal oxide (MOx) supports. In this study, we have explored a new ester binding motif (MOx-ester) to covalently attach a ruthenium polypyridyl photosensitizer to TiO₂. This new MOx-ester photoanode is compared to the traditional photoanodes that utilize acid/base binding groups to attach the molecular Ru sensitizers to TiO₂. The new MOx-ester binding motif is characterized by cyclic voltammetry UV-Vis, solid state ¹³C NMR, and …