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Evolutionary Dynamics Of Artificial Agents: Exploration And Learning In Games, Brian Mintz Jun 2025

Evolutionary Dynamics Of Artificial Agents: Exploration And Learning In Games, Brian Mintz

Dartmouth College Ph.D Dissertations

The natural world abounds with examples of complex behavior in humans and many other species. Evolutionary game theory is a powerful mathematical framework to understand the origins of many such behaviors like cooperation. Since these behaviors are often selected against initially, understanding why they are so widespread has been a longstanding question. Rather than assuming agents' rationality, like in traditional game theory, this approach studies the mutation and selection of strategies themselves. However most behavior is neither perfectly rational nor entirely determined by genetics. This dissertation works to bridge the gap between these two perspectives by analyzing models where individuals …


Evaluation Of Ecostress Collection 2 Evapotranspiration Products: Strengths And Uncertainties For Evapotranspiration Modeling, Zoe Amie Pierrat, Adam J. Purdy, Gregory Halverson, Joshua B. Fisher, Kanishka Mallick, Madeleine Pascolini-Campbell, Youngryel Rye, Martha C. Anderson, Claire Villanueva-Weeks, Margaret C. Johnson, Brenna Hatch, Evan Davis, Yun Yang, Kerry Cawse-Nicholson Jun 2025

Evaluation Of Ecostress Collection 2 Evapotranspiration Products: Strengths And Uncertainties For Evapotranspiration Modeling, Zoe Amie Pierrat, Adam J. Purdy, Gregory Halverson, Joshua B. Fisher, Kanishka Mallick, Madeleine Pascolini-Campbell, Youngryel Rye, Martha C. Anderson, Claire Villanueva-Weeks, Margaret C. Johnson, Brenna Hatch, Evan Davis, Yun Yang, Kerry Cawse-Nicholson

Biology, Chemistry, and Environmental Sciences Faculty Articles and Research

The ECOsystem Spaceborne Thermal Radiometer Experiment on Space Station (ECOSTRESS) collects thermal observations from the International Space Station to support evapotranspiration (ET) research at fine spatial resolutions (70 m × 70 m). Initial ET from ECOSTRESS Collection 1 was used in scientific research and applications, though subsequent analyses identified areas for improvement. This study outlines updates to ECOSTRESS Collection 2 ET and presents an accuracy assessment of ET and auxiliary variables validated against in situ data from AmeriFlux. Key updates in Collection 2 include use of four independent model estimates of instantaneous latent energy (LE) and improved auxiliary forcing data. …


Analyzing Human - Nonhuman Primate Conflict Mitigation Techniques In Mto Wa Mbu, Northern Tanzania, Lil Adams Jun 2025

Analyzing Human - Nonhuman Primate Conflict Mitigation Techniques In Mto Wa Mbu, Northern Tanzania, Lil Adams

Undergraduate Theses, Capstones, and Recitals

Human-wildlife conflict is a widespread challenge faced by those living in regular contact with wildlife that can have profound impacts on livelihood outcomes for humans, wildlife, and their shared environment (Barua et al., 2013; Blackie, 2023). Human – non-human primate conflict is particularly crucial due to primates’ high capacity to live among human populations (Chapman & Chapman, 1990; Alberts & Altmann, 2006; Reader et al., 2011; Sinha & Vijayakrishnan, 2017), and is currently on the rise due to increasing contact between human and non-human primates (Hockings, 2016; Uddin et al., 2020). To characterize and analyze techniques currently being used to …


Versatile Imidazole Scaffold With Potent Activity Against Multiple Apicomplexan Parasites, Monique Khim, Jemma Montgomery, Mariana Laureano De Souza, Melvin Delvillar, Lyssa J. Weible, Mayuri Prabakaran, Matthew A. Hulverson, Tyler Eck, Rammohan Y. Bheemanabonia, P. Holland Alday, David P. Rotella, J. Stone Doggett, Bart L. Staker, Kayode K. Ojo, Purnima Bhanot Jun 2025

Versatile Imidazole Scaffold With Potent Activity Against Multiple Apicomplexan Parasites, Monique Khim, Jemma Montgomery, Mariana Laureano De Souza, Melvin Delvillar, Lyssa J. Weible, Mayuri Prabakaran, Matthew A. Hulverson, Tyler Eck, Rammohan Y. Bheemanabonia, P. Holland Alday, David P. Rotella, J. Stone Doggett, Bart L. Staker, Kayode K. Ojo, Purnima Bhanot

Department of Chemistry and Biochemistry Faculty Scholarship and Creative Works

Malaria, toxoplasmosis, and cryptosporidiosis are caused by apicomplexan parasites Plasmodium spp., Toxoplasma gondii, and Cryptosporidium parvum, respectively, and pose major health challenges. Their therapies are inadequate, ineffective or threatened by drug resistance. The development of novel drugs against them requires innovative and resource-efficient strategies. We exploited the kinome conservation of these parasites to determine the cellular targets and effects of two Plasmodium falciparum inhibitors in T. gondii and C. parvum. The imidazoles, (R)-RY-1-165 and (R)-RY-1-185, were developed to target the cGMP dependent protein kinase of P. falciparum (PfPKG), orthologs of which are present in T. gondii and C. parvum. Using …


Photochemistry Of Quinones And Combustion-Derived Particles, Desiree J. Sarmiento Jun 2025

Photochemistry Of Quinones And Combustion-Derived Particles, Desiree J. Sarmiento

Electronic Theses and Dissertations

Quinones are ubiquitous species that can be produced from the photochemical aging of combustion-derived particles (CDPs). Polycyclic aromatic hydrocarbons (PAHs) are a major component of CDPs and are precursors to quinones and other oxidized products (OPAHs). My work first expanded on the PAH and OPAH photochemistry research of Dr. John Haynes, who showed that anthracene (ANT) oxidizes into 1,4-naphthoquinone (1,4-NAPQ), 1,4-anthraquinone (1,4-ANTQ), and 9,10-anthraquinone (9,10-ANTQ), and of Dr. Heather Runberg, who demonstrated the ability of ANT and these quinones to generate reactive oxygen species (ROS). Then at the Pacific Northwest National Laboratory (PNNL), I was given the opportunity to investigate …


Synthesis Of Anti-Schistosomal Heterocyclic Compounds Targeting Thioredoxin Glutathione Reductase, Alexander Stewart Jun 2025

Synthesis Of Anti-Schistosomal Heterocyclic Compounds Targeting Thioredoxin Glutathione Reductase, Alexander Stewart

Lawrence University Honors Projects

chistosomiasis is a deadly and debilitating parasitic disease caused by Schistosoma mansoni which affects 200+ million people annually who come into contact with contaminated water. Currently only one drug (Praziquantel) has been used to treat this disease for almost 50 years, and fear of resistance is growing, thus a new drug and new target is needed. Inhibition of the organism-specific redox defense protein Thioredoxin Glutathione Reductase (TGR) has lead to the death of the worm in vitro, indicating that it would be a good druggable target. Fragment based analysis and x-ray crystallography have returned the outline of a lead compound …


Simple Yet Effective, Effective Yet Inclusive: A Skincare Line, Ayesha Wali Rahimoon Jun 2025

Simple Yet Effective, Effective Yet Inclusive: A Skincare Line, Ayesha Wali Rahimoon

Lawrence University Honors Projects

This honors project addresses the lack of inclusive skincare formulations by developing a scientifically grounded skincare line with an antioxidant-rich serum, moisturizer, and cleanser tailored to support diverse skin types, particularly melanin-rich skin. The serum combines strawberry extract powder, Manuka honey, niacinamide, green tea extract, and humectants to promote hydration, antioxidant protection, and skin barrier reinforcement. Formulated with a stable pH of 5.0–5.5 and an effective preservative system, the product was tested through non-animal, biologically relevant models.

A UV protection assay using HEK293 cells demonstrated that the serum significantly reduces oxidative damage, increasing post-exposure cell viability to 80%, compared to …


Advancing The Functional Diversity Of Hydrazone Photoswithces, Daniil Sosnin Jun 2025

Advancing The Functional Diversity Of Hydrazone Photoswithces, Daniil Sosnin

Dartmouth College Ph.D Dissertations

Photochromic materials have drawn increasing interest for their ability to control functional systems and biological processes using light. Molecular switches enable precise, reversible regulation of the systems in which they are embedded. To achieve robust and versatile switching, careful tuning of molecular structure and activation conditions is essential. Hydrazones represent a promising class of photoswitches, offering synthetic accessibility, strong thermal and photochemical stability, and a modular framework that supports further development for materials and biological applications. This work begins by examining a family of heterocyclic hydrazones to determine how structural variations affect photoswitching efficiency and thermal half-lives. Comparisons with phenyl-based …


Cultivating Resilience In The Anthropocene: Evaluating A Gssw Ecological Justice Curriculum, Windy Selig Jun 2025

Cultivating Resilience In The Anthropocene: Evaluating A Gssw Ecological Justice Curriculum, Windy Selig

Electronic Theses and Dissertations

This Dissertation in Practice evaluated the University of Denver’s Graduate School of Social Work (GSSW) Ecological Justice Pathway to examine how resilience is conceptualized and cultivated within the curriculum. Grounded in a constructivist paradigm and guided by an ecological justice framework, this evaluation explored the pedagogical and curricular strategies designed to prepare social work students for the emotional, ethical, and professional demands of practicing in the Anthropocene—a time marked by ecological degradation, climate crisis, and compounding social inequities.

Through qualitative methods, including faculty interviews and curriculum document analysis, the evaluation identified both explicit and implicit components that foster student resilience. …


Object-Based Image Analysis And Artificial Intelligence Identification Of Anthropogenic Disturbance On Lesser Prairie Chicken Habitat In Cheyenne County, Colorado, Tara Hoelzer Jun 2025

Object-Based Image Analysis And Artificial Intelligence Identification Of Anthropogenic Disturbance On Lesser Prairie Chicken Habitat In Cheyenne County, Colorado, Tara Hoelzer

Geography and the Environment: Graduate Student Capstones

Renewable energy projects often require extensive landcover for their operations. When one of these projects encroaches into territory of threatened species, such as Lesser Prairie Chickens, an analysis of habitat suitability and human disturbance is required to proceed. Traditionally, this involved manually reviewing aerial imagery within a 6-mile radius, digitizing features, and interpreting them using a human technician—an approach that was time-consuming and prone to human error. By using pretrained AI models within Model Builder™, the identification of roads and structures was automated, making the process faster and more consistent than manual visual analysis. As AI and technology continue to …


Some Results In Thermodynamic Formalism, C. Evans Hedges Jun 2025

Some Results In Thermodynamic Formalism, C. Evans Hedges

Electronic Theses and Dissertations

This dissertation investigates several key questions at the intersection of dynamical systems, computability theory, and thermodynamic formalism. In the symbolic setting, we establish novel results regarding the statistical properties of equilibrium states, deriving bounds on probabilities of configurations and relating these bounds to the Gibbs property through the homoclinic relation. Additionally, we examine the computability of thermodynamic quantities such as pressure, ground state energy, and residual entropy. We show that topological pressure is computable from above for general subshifts and computable for strongly irreducible shifts, with similar results extending to ground state energy and residual entropy.

Extending beyond subshifts, we …


Roles Of Organic Agriculture For Water Optimization In Arid And Semi-Arid Regions, Shikha Sharma, Matt A. Yost, Jennifer R. Reeve Jun 2025

Roles Of Organic Agriculture For Water Optimization In Arid And Semi-Arid Regions, Shikha Sharma, Matt A. Yost, Jennifer R. Reeve

Plants, Soils and Climate Student Research

Water scarcity is a critical challenge in arid and semi-arid regions, where agricultural water consumption accounts for a significant portion of freshwater use. Conventional agriculture (CA) methods with high reliance on chemical and mechanical inputs often exacerbate this issue through soil degradation and water loss. This review aims to examine how different organic practices, such as mulching, cover cropping, composting, crop rotation, and no-till (NT) in combination with precision technologies, can contribute to water optimization, and it discusses the opportunities and challenges for the adoption and implementation of those practices. Previous findings show that organic agriculture (OA) may outperform CA …


Enzymatic Characterization Of Bacterial Enzymes And Inhibitors As Potential Antibiotics With New Mechanisms Of Action, Emma Helene Kelley Jun 2025

Enzymatic Characterization Of Bacterial Enzymes And Inhibitors As Potential Antibiotics With New Mechanisms Of Action, Emma Helene Kelley

Dissertations

Bacteria have become increasingly resistant to antibiotics, therefore there is an urgent need for new drug classes of antibiotics to help fight antibiotic infections. To this end, our research is focused on inhibitors of dizinc metalloenzymes N-succinyl-L,L-diaminopimelic acid desuccinylase (DapE), an enzyme in the lysine biosynthesis pathway, N-acetyl-L-ornithine deacetylase enzyme (ArgE), an enzyme in the arginine biosynthesis pathway, and sodium-dependent NADH: ubiquinone oxidoreductase (Na+-NQR) enzyme, a respiratory complex enzyme as promising drug targets. DapE, ArgE, and Na+-NQR and are only present in bacteria, including ESKAPE pathogens that can cause potentially deadly infections, thus inhibitors of DapE, ArgE, and Na+-NQR offer …


A New Model For Educational Program Assessments Using Automated Collective Concept Maps, Andrew R. Paullin Jun 2025

A New Model For Educational Program Assessments Using Automated Collective Concept Maps, Andrew R. Paullin

Master's Theses (2009 -)

This paper presents: Epistemological principles; the origins and theoretical foundations of concept maps; the current state of related works; the contributions, methods, results, and future road map of this research; and A New Model for Educational Program Assessments. An understanding that knowledge results from an evolution of cognitive structures enables a scientific approach to enhance the efficiency of learning. Building on prior works, this research provides a novel algorithm and tool to automatically create Collective Concept Maps from Individual Concept Maps by utilizing a dictionary, thesaurus, Natural Language Processing, Machine Learning / Artificial Intelligence, and domain expertise. Abstraction Filters enable …


Development Of Novel Force Fields For Metal Ions, Madelyn Smith Jun 2025

Development Of Novel Force Fields For Metal Ions, Madelyn Smith

Dissertations

Many biological proteins require the presence of a metal ion in order to properly function. However, metal ions’ complex nature charge poses several challenges to accurately and efficiently simulate computationally. For example, metal ions can exhibit multiple oxidation states, electronic state degeneracy, flexible coordination numbers, and significant polarization effects. To address these problems, this dissertation aims to enhance force fields for modeling metal ions in molecular dynamics simulations. First, a comprehensive set of van der Waals radii for metal ions is derived, demonstrating the importance of using physically meaningful parameters in force fields. Second, a comprehensive set of atomic and …


Virtual Assistant For Pest Management, Viswanada Chakravarthy Karri Jun 2025

Virtual Assistant For Pest Management, Viswanada Chakravarthy Karri

Master’s Dissertations

Effective pest identification and management are essential for ensuring agricultural productivity, especially in regions with limited expert access. This work proposes a virtual assistant based on a Retrieval-Augmented Generation (RAG) [1] framework to support pest management tasks. The system utilizes a multimodal dataset consisting of pest images and annotated textual interactions, adapted from the AgriLLaVA corpus [2]. The assistant combines retrieval mechanisms with generative language models to generate contextually grounded responses. It is designed for deployment on local hardware with limited computational resources, integrating open-source models for both retrieval and generation. Preliminary results suggest that this approach can provide accurate, …


Human Gut Commensal Alistipes Timonensis Modulates The Host Lipidome And Delivers Anti-Inflammatory Outer Membrane Vesicles To Suppress Colitis In An Il10-Deficient Mouse Model, Ethan Older, Mary K. Mitchell, Andrew Campbell, Xiaoying Lian, Michael Madden, Yuzhen Wang, Lauren E. Van De Wal, Thelma Zaw, Brandon N. Vanderveen, Rodney Tatum, E. Angela Murphy, Yan-Hua Chen, Daping Fang, Melissa Ellermann, Jie Li Jun 2025

Human Gut Commensal Alistipes Timonensis Modulates The Host Lipidome And Delivers Anti-Inflammatory Outer Membrane Vesicles To Suppress Colitis In An Il10-Deficient Mouse Model, Ethan Older, Mary K. Mitchell, Andrew Campbell, Xiaoying Lian, Michael Madden, Yuzhen Wang, Lauren E. Van De Wal, Thelma Zaw, Brandon N. Vanderveen, Rodney Tatum, E. Angela Murphy, Yan-Hua Chen, Daping Fang, Melissa Ellermann, Jie Li

Faculty Publications

Correlative studies have linked human gut microbes to specific health conditions. Alistipes is one such microbial genus negatively linked to inflammatory bowel disease (IBD). However, the protective role of Alistipes in IBD is understudied, and the underlying molecular mechanisms remain unknown. In this study, colonization of Il10-deficient mice with Alistipes timonensis DSM 27924 delays colitis development. Colonization does not significantly alter the gut microbiome composition, but instead shifts the host plasma lipidome, increasing phosphatidic acids while decreasing triglycerides. Outer membrane vesicles (OMVs) derived from Alistipes are detected in the plasma of colonized mice, carrying potentially immunomodulatory metabolites into the …


A Veblenian Approach To Chaos Theory, Isaiah Henry Jun 2025

A Veblenian Approach To Chaos Theory, Isaiah Henry

Hatfield Graduate Journal of Public Affairs

This paper provides a comparative analysis of Veblen's belief in disequilibrium, the field of chaos theory, and how these two frameworks connect. We explore the similarities and differences between Veblen's theories and the principles of chaos theory, including their shared emphasis on complexity and unpredictability. By analyzing the connections between Veblen's economic theories and chaos theory, we can gain a deeper understanding of the nature of disequilibrium and the complex forces that shape our world.


Cannabis Concentrate Vaping Chemistry, Kaelas R. Munger, Killian M. Anreise, Robert M. Strongin Jun 2025

Cannabis Concentrate Vaping Chemistry, Kaelas R. Munger, Killian M. Anreise, Robert M. Strongin

Chemistry Faculty Publications and Presentations

Background:

This review article addresses the vaping chemistry of manufactured cannabis concentrates—a topic that remains under-researched despite the widespread availability and growing popularity of these products. Given their current prevalence and the fact that many of the findings discussed herein are from early-stage investigations, further research is essential to fully assess the public health risks associated with concentrate use. The purpose of this article is to help begin to bridge this knowledge gap by outlining the technical challenges of studying cannabis concentrates and to present evidence-based data concerning toxicant exposures as a foundation for future investigations.

Methods:

A search of …


Comprehensive Insights Into The Cholesterol-Mediated Modulation Of Membrane Function Through Molecular Dynamics Simulations, Ehsaneh Khodadadi, Ehsan Khodadadi, Parth Chaturvedi, Mahmoud Moradi Jun 2025

Comprehensive Insights Into The Cholesterol-Mediated Modulation Of Membrane Function Through Molecular Dynamics Simulations, Ehsaneh Khodadadi, Ehsan Khodadadi, Parth Chaturvedi, Mahmoud Moradi

Chemistry & Biochemistry Faculty Publications and Presentations

Cholesterol plays an essential role in biological membranes and is crucial for maintaining their stability and functionality. In addition to biological membranes, cholesterol is also used in various synthetic lipid-based structures such as liposomes, proteoliposomes, and nanodiscs. Cholesterol regulates membrane properties by influencing the density of lipids, phase separation into liquid-ordered (Lo) and liquid-disordered (Ld) areas, and stability of protein-membrane interactions. For planar bilayers, cholesterol thickens the membrane, decreases permeability, and brings lipids into well-ordered domains, thereby increasing membrane rigidity by condensing lipid packing, while maintaining lateral lipid mobility in disordered regions to preserve overall membrane fluidity. It modulates membrane …


Orchestrating Complexity: The Art Of Virtual Leadership In System Modelling, Vijay Kumar Sonawane, Bipllab Roy, Purnendu Bikash Acharjee, Indu Pv Jun 2025

Orchestrating Complexity: The Art Of Virtual Leadership In System Modelling, Vijay Kumar Sonawane, Bipllab Roy, Purnendu Bikash Acharjee, Indu Pv

Northeast Journal of Complex Systems (NEJCS)

This paper explores the dynamics of virtual leadership within global remote work environments, focusing on the application of complex system modelling to understand and enhance leadership efficacy. The application of computational modelling has been a regular feature in economics, science and technology fields, however its application in virtual leadership with linkage to sport leadership appears to be a novel concept. Adopting a multidisciplinary approach, this paper incorporates Game Theory as a conceptual framework to make the leadership model more relevant and applicable that can offer simpler understanding of complex play of leadership drivers. The model incorporates five key leadership dimensional …


Session 1: Guidance From International Regulation Sources, Charlotte Tschider, Marie-Charlotte Roques-Bonnet Jun 2025

Session 1: Guidance From International Regulation Sources, Charlotte Tschider, Marie-Charlotte Roques-Bonnet

SITIE Symposiums

In Session One of the SITIE 2025 Symposium titled “Regulating Artificial Intelligence: From Where and When?”, Professor Mark Chinen moderated a panel featuring Professor Charlotte Tschider and Dr. Marie-Charlotte Roques-Bonnet. The discussion focused on international AI regulation, privacy, data governance, and the EU’s regulatory approach to AI oversight.


Tellings Of The Pacific Ocean: A Landscape-Based Approach For Multispecies Design And Hci, Maliheh Ghajargar Jun 2025

Tellings Of The Pacific Ocean: A Landscape-Based Approach For Multispecies Design And Hci, Maliheh Ghajargar

Engineering Faculty Articles and Research

Environmental disturbances induced by climate change have caused significant changes in our ecosystems and are threatening the health of our environments. As a response to this issue, a growing body of work has emerged in HCI and design, which seeks to foreground more-than-human stories in support of making more sustainable and just futures. This research contributes to this broad agenda by probing graphic novels as a multispecies storytelling method for design and HCI. Combining ideas from Anna Tsing’s adventures of landscape and from HCI and design’s use of sequential art (e.g., storyboards), we use landscape as the main protagonist of …


Lighting Up The Cell: Developing A Luminescent Lanthanide Probe For Detecting Rnas, Jonathan Savell Jun 2025

Lighting Up The Cell: Developing A Luminescent Lanthanide Probe For Detecting Rnas, Jonathan Savell

Honors Projects

An anion detecting luminescent probe, Tb:DO2A-Cs124, was repurposed for use in RNA imaging. Potential RNA aptamers were identified for the molecule using Capture-SELEX and MinION sequencing. Fluorimetry data revealed these aptamers did not allow for the probe to luminesce in the presence of target RNAs due to adenosine monophosphate’s ability to quench the emission signal.


Refinement And Application Of The Absorption Cross-Section Of Molecular Bromine With Relevance To Atmospheric Chemistry, Callum Flowerday, Ryan Thalman, Jaron C. Hansen, Eric T. Sevy, Jason J. Sorensen, Matthew C. Asplund Jun 2025

Refinement And Application Of The Absorption Cross-Section Of Molecular Bromine With Relevance To Atmospheric Chemistry, Callum Flowerday, Ryan Thalman, Jaron C. Hansen, Eric T. Sevy, Jason J. Sorensen, Matthew C. Asplund

ScholarsArchive Data

Defined Br2 XS - is the defined absorption cross-section using the UVvis spectrophotometer.

BBCEAS - This is raw absorption data measured using the BBCEAS (see article for details).

UVvis raw - This is the raw absorption data measured using the UVvis spectrophotometer.


Colonization-Persistence Trade-Offs In The Human Microbiome, Liam F. Nokes Jun 2025

Colonization-Persistence Trade-Offs In The Human Microbiome, Liam F. Nokes

Environmental Studies Senior Theses

Understanding how diverse microbial taxa coexist in the human body without competitively excluding one another remains a key challenge in microbiome ecology. One proposed explanation is the colonization-persistence trade-off, where species with high colonization ability are poor persisters, and vice versa. We test for this trade-off across human associated microbial communities among many individuals and in multiple body sites using a large-scale participant-level meta-analysis of longitudinal microbiome datasets curated from the MGnify database. We applied island biogeography-based models to calculate effective colonization and persistence rates for microbial families and genera across 606 individuals over twenty-six studies. Regression of the log-transformed …


Development And Photophysical Characterization Of Bioinspired Materials, Qaisar Maqbool Jun 2025

Development And Photophysical Characterization Of Bioinspired Materials, Qaisar Maqbool

USF Tampa Graduate Theses and Dissertations

Porphyrins are versatile aromatic macrocycles with unique photophysical properties that make them attractive for applications in light harvesting, photocatalysis, and sustainable energy conversion. Incorporating porphyrins into metal-organic frameworks (MOFs) offers a unique opportunity to modulate their photophysical behavior through spatial confinement and host–guest interactions. This thesis explores how structural modifications influence porphyrin excited-state behavior through a multi-stage investigation. The work begins by comparing the photophysical properties of two cationic porphyrins: tetra(N-methylpyridyl) porphyrin(TMPyP) and tetra(4-N,N,N-trimethylanilinium) porphyrin(4TANP). While TMPyP exhibits significant singlet–charge transfer (S₁–CT) state mixing due to charge delocalization onto peripheral pyridinium groups, 4TANP lacks comparable behavior. The localized nature of …


Shape-Based Nanoparticle Classification Using Machine Learning, Caitlin Caitlin Robertson, Hender Lopez Jun 2025

Shape-Based Nanoparticle Classification Using Machine Learning, Caitlin Caitlin Robertson, Hender Lopez

SAML-25 Workshop on Statistical and Machine Learning

The accurate classification of nanoparticles (NPs) based on their shapes is crucial for understanding their physical-chemical properties and predict their bioactivity. Nowadays, synthesis method are able to produce a broad range of shapes, such as spheres, cubes and branched NPs and commonly these NP shapes are only described qualitative. This study presents NP descriptors obtained from NPs contours extracted from electron microscopy images. Descriptors such as Fourier descriptors, aspect ratio, and compactness are then used as input for machine learning classifiers. In particular, XGBoost, Random Forest, and neural networks are explored and the their performances are compared and discussed.


Shedding Light On Cellular Glycolysis Pathway Kinetics Using A Spectralomics Approach, Integrating Multivariate Statistical And Machine Learning Analytical Approaches, Nitin Patil, Zohreh Mirveis, Hugh Byrne Jun 2025

Shedding Light On Cellular Glycolysis Pathway Kinetics Using A Spectralomics Approach, Integrating Multivariate Statistical And Machine Learning Analytical Approaches, Nitin Patil, Zohreh Mirveis, Hugh Byrne

SAML-25 Workshop on Statistical and Machine Learning

The potential of time resolved label-free Raman microspectroscopy to elucidate the kinetics of cellular and subcellular glycolysis pathway was explored in this study. A549, human lung cells were cultured in an unbuffered minimal medium with glucose as a sole carbon source under three different modulated conditions. Modulator drugs oligomycin and 2-deoxyglucose were used to stimulate and inhibit the glycolysis pathway. Initially the kinetic glycolysis assay was used to monitor the glycolysis end-point kinetics followed by development of a numerical model capable of simulating the end-point kinetics. For Raman spectroscopy, samples at different timepoints from the experiments with similar conditions as …


Ai-Driven Personalized Radiotherapy Planning, Nithin Venkatesh, Marco Pota, Maged Shaban Jun 2025

Ai-Driven Personalized Radiotherapy Planning, Nithin Venkatesh, Marco Pota, Maged Shaban

SAML-25 Workshop on Statistical and Machine Learning

The planning of radiation oncology treatment is made more dynamic and individualized by Artificial Intelligence (AI). Routine radiotherapy practice applies normative procedures indifferent to patient-specific parameters such as tumor volume, patient anatomy, and heterogeneity in the delineation of treatment response. Inadequate and over-radiation treatment is the most prevalent outcome. Further, with the inclusion of AI, it can facilitate enhancing the healthcare industry through optimizing radiotherapy using an array of patient information such as molecular profiles and imaging data. The product offers an end-to-end AI-driven solution to all aspects of radiotherapy, from initial consultation (diagnosis) to adaptive treatment planning. All the …