ASU Electronic Theses and Dissertations
This collection includes most of the ASU Theses and Dissertations from 2011 to present. ASU Theses and Dissertations are available in downloadable PDF format; however, a small percentage of items are under embargo. Information about the dissertations/theses includes degree information, committee members, an abstract, supporting data or media.
In addition to the electronic theses found in the ASU Digital Repository, ASU Theses and Dissertations can be found in the ASU Library Catalog.
Dissertations and Theses granted by Arizona State University are archived and made available through a joint effort of the ASU Graduate College and the ASU Libraries. For more information or questions about this collection contact or visit the Digital Repository ETD Library Guide or contact the ASU Graduate College at gradformat@asu.edu.
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Description
Nucleic acid nanotechnology is a field of nanoscale engineering where the sequences of deoxyribonucleicacid (DNA) and ribonucleic acid (RNA) molecules are carefully designed to create self–assembled nanostructures with higher spatial resolution than is available to top–down fabrication methods. In the 40 year history
of the field, the structures created have scaled from small tile–like structures constructed from a few hundred
individual nucleotides to micron–scale structures assembled from millions of nucleotides using the technique
of “DNA origami”. One of the key drivers of advancement in any modern engineering field is the parallel
development of software which facilitates the design of components and performs in silico simulation of the
target structure to determine its structural properties, dynamic behavior, and identify defects. For nucleic acid
nanotechnology, the design software CaDNAno and simulation software oxDNA are the most popular choices
for design and simulation, respectively. In this dissertation I will present my work on the oxDNA software
ecosystem, including an analysis toolkit, a web–based graphical interface, and a new molecular visualization
tool which doubles as a free–form design editor that covers some of the weaknesses of CaDNAno’s lattice–based design paradigm. Finally, as a demonstration of the utility of these new tools I show oxDNA simulation
and subsequent analysis of a nanoscale leaf–spring engine capable of converting chemical energy into dynamic motion. OxDNA simulations were used to investigate the effects of design choices on the behavior of
the system and rationalize experimental results.
ContributorsPoppleton, Erik (Author) / Sulc, Petr (Thesis advisor) / Yan, Hao (Committee member) / Forrest, Stephanie (Committee member) / Stephanopoulos, Nicholas (Committee member) / Arizona State University (Publisher)
Created2022
Description
Functional regression models are widely considered in practice. To precisely understand an underlying functional mechanism, a good sampling schedule for collecting informative functional data is necessary, especially when data collection is limited. However, scarce research has been conducted on the optimal sampling schedule design for the functional regression model so far. To address this design issue, efficient approaches are proposed for generating the best sampling plan in the functional regression setting. First, three optimal experimental designs are considered under a function-on-function linear model: the schedule that maximizes the relative efficiency for recovering the predictor function, the schedule that maximizes the relative efficiency for predicting the response function, and the schedule that maximizes the mixture of the relative efficiencies of both the predictor and response functions. The obtained sampling plan allows a precise recovery of the predictor function and a precise prediction of the response function. The proposed approach can also be reduced to identify the optimal sampling plan for the problem with a scalar-on-function linear regression model. In addition, the optimality criterion on predicting a scalar response using a functional predictor is derived when the quadratic relationship between these two variables is present, and proofs of important properties of the derived optimality criterion are also provided. To find such designs, an algorithm that is comparably fast, and can generate nearly optimal designs is proposed. As the optimality criterion includes quantities that must be estimated from prior knowledge (e.g., a pilot study), the effectiveness of the suggested optimal design highly depends on the quality of the estimates. However, in many situations, the estimates are unreliable; thus, a bootstrap aggregating (bagging) approach is employed for enhancing the quality of estimates and for finding sampling schedules stable to the misspecification of estimates. Through case studies, it is demonstrated that the proposed designs outperform other designs in terms of accurately predicting the response and recovering the predictor. It is also proposed that bagging-enhanced design generates a more robust sampling design under the misspecification of estimated quantities.
ContributorsRha, Hyungmin (Author) / Kao, Ming-Hung (Thesis advisor) / Pan, Rong (Thesis advisor) / Stufken, John (Committee member) / Reiser, Mark R. (Committee member) / Yan, Hao (Committee member) / Arizona State University (Publisher)
Created2020