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UNB Scholar is an institutional repository initiative of UNB Libraries intended to collect, preserve, showcase, and promote the open access scholarly output of the UNB community. Use UNB Scholar to explore specific collections, or search all content in the repository. Material submitted to the repository will also be freely discoverable online through Google and other major search engines.
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Item type:Item, Incorporating quantum correlation in extended molecular systems using advanced electronic structure methods in quantum chemistry(University of New Brunswick, 2026-04) Javaheri Moghadam, Mostafa; De Baerdemacker, StijnUnderstanding electronic correlations in biomolecules is critical for advancing quantum chemistry, drug design, and molecular biology. This thesis presents a quantum information theory approach to analyzing electronic correlations in biomolecular systems using Mutual Information (MI), a measure derived from Reduced Density Matrices (RDMs) and orbital entropies. We introduce Atomic Mutual Information (AMI) as a novel metric that quantifies total correlation between atoms by summing MI contributions from all orbital pairs connecting them, enabling detailed characterization of both intra- and inter-molecular interactions. The methodology is first applied to small systems, including dipeptides. To ensure accuracy, density matrix renormalization group (DMRG) calculations serve as a high-level benchmark against which less computationally demanding methods such as Density Functional Theory (DFT) and restricted Hartree-Fock (RHF) are evaluated. We then extend our approach to larger peptides by introducing Fragment-wise Mutual Information (FMI), a coarse-grained version of AMI that enables inter-fragment correlation analysis. To study dynamic behavior, we analyze the evolution of FMI by extracting snapshots from molecular dynamics (MD) trajectories. The results demonstrate that increases in FMI correlate with folding and stabilization of peptide structures, offering a quantum-informed descriptor of conformational changes that complements classical metrics. Finally, the method is scaled up to small proteins through a cut-wise reconstruction strategy. By stitching together results from overlapping fragments, we approximate full-system FMI with reasonable accuracy. Validation on the insulin protein confirms the method’s ability to capture key features, including hydrogen bonding, secondary structures, and disulfide bridges. This work introduces scalable and interpretable tools for mapping electronic correlations in biomolecular systems, bridging quantum chemistry and molecular modeling, with broad applications in drug discovery, protein engineering, and force field development.Item type:Item, A comprehensive forest management plan for Mike and Joanne Glynn’s woodlot(University of New Brunswick, 2026-04) Mitton, Susanne Nicole; Mayrinck, RafaellaThe Glynn property owned by Mike and Joanne Glynn located in Durham Bridge, New Brunswick and is 50 acres in size (PID: 75167528). It is a recently acquired property by the Glynn’s. The Glynn’s are seeking to have a management plan that is focused on timber production revenue, forest health and biodiversity, climate resilience, and access and usability. This management plan is to provide insight through recommendations on how the Glynn’s can meet these goals. The goal of this management plan is to focus on sustainable forest harvesting, replanting while maintaining the forest structure, soil health and disease control of the woodlot. Mike and Joanne aspire to conduct all forest operations themselves, with the exception of trucking, on the property. The objective of this plan is to assess and provide areas for long-term timber production potential and create a forest overtime that is resilient to climate change. Data and inventory were collected based on a variety of specifications that meet the goals of the landowner. With this inventory and resource change over time, recommendations are derived for the Glynn's’ to align with a time frame of 20 years. This management plan provides the management objectives and actions of the landowner, the state of the resource of the woodlot, a prediction of resource change over time (20 years), comprehensive maps of the woodlot, sustainability considerations, landowner collaboration, a budget overview, monitoring and evaluation plan. Throughout these steps, Mike and Joanne Glynn can meet the goals they would like to achieve on their woodlot.Item type:Item, Electromagnetic instabilities in the collisional lower Martian ionosphere: Theory and observations(University of New Brunswick, 2026-04) Al-Buradah, Sadig; Hamza, Abdelhaq; Meziane, KarimUnderstanding electromagnetic instabilities in weakly ionized planetary environments is essential for describing ionospheric structure, energy transport, and plasma-neutral coupling. The lower Martian ionosphere provides a favorable regime for this physics: it is weakly ionized and contains short-scale density gradients, together with a strong magnetization asymmetry between electrons and ions. These conditions allow electromagnetic processes controlled by electron–neutral and ion–neutral collisions to develop and be examined using MAVEN observations. While electrostatic instabilities are well documented at Earth, electromagnetic instabilities in this collisional region at Mars remain largely unexplored. This study combines theoretical development and MAVEN observations to investigate wave generation in the lower Martian ionosphere. A two–fluid collisional framework is formulated, and the full electromagnetic dispersion relation is derived. The model recovers known limits, including electromagnetic Alfvénic and magnetosonic modes and electrostatic Farley–Buneman and gradient-drift branches. It also extends the theory to a regime where magnetic pressure, density gradients, and collisional coupling jointly drive instability. Analytical limits and numerical solutions show that growth maximizes at intermediate perpendicular scales, controlled by ion–neutral collisionality, electron magnetization, and gradient strength. Guided by these theoretical predictions, MAVEN magnetic field data are analyzed using time–series and spectral techniques, magnetic field–aligned decomposition, and Minimum Variance Analysis to determine wave polarization and propagation relative to the background field. The observed waves are mainly compressional and propagate nearly perpendicular to B0, occurring within regions of positive modeled growth. A detailed case study shows that enhanced magnetic wave power occurs at the same locations and times as positive modeled growth along the MAVEN trajectory. Additional events show that similar plasma conditions recur during multiple periapsis passes and fall within the predicted instability region. These results provide theoretical and observational evidence for a collisional electromagnetic instability in the lower Martian ionosphere. MAVEN observations show compressional magnetic fluctuations with near-perpendicular propagation within regions of positive modeled growth, typically at altitudes of ∼140–160 km near the terminator. The results provide a framework for interpreting MAVEN electromagnetic wave observations and support future studies of collisional plasma processes in planetary ionospheres.Item type:Item, Ready, aim archive: Archives-in-Maps (AIM) for geospatial historical archiving, a novel approach(University of New Brunswick, 2026-04) MacRae, Toni; Zhang, Yun; Mullally, SashaThis interdisciplinary thesis addresses an archival and geographic information system (GIS) disconnect currently experienced by history and historical social science deep mapping researchers. Research methods using GIS and digital archives have enabled rich and contextual spatial research to emerge since the spatial turn. Yet, their respective frameworks remain siloed, constraining access to certain types of archival evidence such as historical aerial photos (HAPs). Further, the archival documents that would provide context to the geographies mapped within the HAPs remain separated, limiting opportunities for the deep mapping researcher to leverage both types of archival evidence. This thesis introduces the Archives-In-Maps (AIM) concept and applies it to Fredericton, NB. AIM Fredericton integrates HAPs and archival documents within a user driven GIS for web environment, featuring both types of archival evidence equally. An historical geospatial case study was conducted to demonstrate the interdisciplinary potential of the AIM concept, and how it will support deep mapping researchers within history and the social sciences.Item type:Item, Symbiont Reintroduction Alters Tumor Progression and Life-History Traits in the Tumor-Bearing Freshwater Cnidarian Hydra oligactis(Wiley, 2026-04-13) Stepanskyy, Nikita; Meliani, Jordan; Tökölyi, Jácint; Nedelcu, Aurora M.; Ujvari, Beata; Thomas, Frédéric; Dujon, Antoine M.Environmental changes can disrupt long-standing host–symbiont associations and influence tumor dynamics; however, how these two aspects interact remains poorly understood, particularly when previously co-evolved symbionts are reintroduced into tumor-prone hosts. We experimentally reintroduced a native commensal ciliate symbiont (Kerona pediculus) into two long-term cultured symbiont-free lines of the freshwater cnidarian, Hydra oligactis, differing in tumor affliction: one harbors a transmissible tumor, and one has historically low spontaneous tumor incidence. Unexpectedly, spontaneous tumors emerged at high frequency in the latter, independently of ciliate acquisition, fundamentally reshaping the experimental framework and enabling comparisons of how symbiont reintroduction affects hosts with either transmissible or de novo tumors. While ciliate infection did not alter tumor incidence, it slightly accelerated tumor onset, increased the likelihood of supernumerary tentacle formation, and reduced asexual reproduction (particularly at high symbiont densities) across tumor contexts. Spontaneous tumors appeared later than transmissible tumors, were less often associated with supernumerary tentacles, and induced an earlier reproductive burst. Our findings show that symbiont reintroduction and tumor context shape tumor dynamics and life-history traits in tumor-bearing hosts, emphasizing the potential role of symbiotic history and tumor evolutionary context when assessing the outcomes of such pressures in vulnerable host populations.
