Open Access. Powered by Scholars. Published by Universities.®
- Keyword
-
- Molecular Dynamics Simulations (2)
- Peptides (2)
- Self-Assembly (2)
- Barium titanate (1)
- Bioconjugation (1)
-
- Bioinspired (1)
- Biomarkers (1)
- Camptothecin (1)
- Cancer (1)
- Capacitor (1)
- Carbon dioxide (1)
- Carbon monoxide (1)
- Cell membrane (1)
- Composite (1)
- Drug Amphiphiles (1)
- Electrochemical reduction (1)
- Energy storage (1)
- Free Energy methods (1)
- Glycan (1)
- Hypersurface photolithography (1)
- Lipids (1)
- Magnet (1)
- Medical devices (1)
- Methane (1)
- Microarray (1)
- Minimalistic (1)
- Molecular Dynamics (1)
- Multiferroic (1)
- Nanoporous carbon (1)
- Nanotechnology (1)
Articles 1 - 7 of 7
Full-Text Articles in Engineering
Rational Design Of Peptide-Based Materials Informed By Multiscale Molecular Dynamics Simulations, Dhwanit Rahul Dave
Rational Design Of Peptide-Based Materials Informed By Multiscale Molecular Dynamics Simulations, Dhwanit Rahul Dave
Dissertations, Theses, and Capstone Projects
The challenge of establishing a sustainable and circular economy for materials in medicine and technology necessitates bioinspired design. Nature's intricate machinery, forged through evolution, relies on a finite set of biomolecular building blocks with through-bond and through-space interactions. Repurposing these molecular building blocks requires a seamless integration of computational modeling, design, and experimental validation. The tools and concepts developed in this thesis pioneer new directions in peptide-materials design, grounded in fundamental principles of physical chemistry. We present a synergistic approach that integrates experimental designs and computational methods, specifically molecular dynamics simulations, to gain in-depth molecular insights crucial for advancing the …
Construction And Performance Optimization Of Bioconjugated Nanosensors For Early Detection Of Breast Cancer And Pro-Inflammatory Diseases, Pooja Gaikwad
Dissertations, Theses, and Capstone Projects
In recent years, nanosensors have emerged as a tool with strong potential in medical diagnostics. Single-walled carbon nanotube (SWCNT) based optical nanosensors have notably garnered interest due to the unique characteristics of their near-infrared fluorescence emission, including tissue transparency, photostability, and various chiralities with discrete absorption and fluorescence emission bands. Additionally, the optoelectronic properties of SWCNT are sensitive to the surrounding environment, which makes them suitable for in vitro and in vivo biosensing. Single-stranded (ss) DNA-wrapped SWCNTs have been reported as optical nanosensors for cancers and metabolic diseases. Breast cancer and cardiovascular diseases are the most common causes of death …
Tools And Strategies For The Patterning Of Bioactive Molecules And Macromolecules, Daniel J. Valles
Tools And Strategies For The Patterning Of Bioactive Molecules And Macromolecules, Daniel J. Valles
Dissertations, Theses, and Capstone Projects
Hypersurface Photolithography (HP) is a printing method for fabricating structures and patterns composed of soft materials bound to solid surfaces and with ~1 micrometer resolution in the x, y, and z dimensions. This platform leverages benign, low intensity light to perform photochemical surface reactions with spatial and temporal control of irradiation, and, as a result, is particularly useful for patterning delicate organic and biological material. In particular, surface- initiated controlled radical polymerizations can be leveraged to create arbitrary polymer and block- copolymer brush patterns. Chapter 1 will review the advances in instrumentation architectures from our group that have made these …
Molecular Dynamics Simulations Of Self-Assemblies In Nature And Nanotechnology, Phu Khanh Tang
Molecular Dynamics Simulations Of Self-Assemblies In Nature And Nanotechnology, Phu Khanh Tang
Dissertations, Theses, and Capstone Projects
Nature usually divides complex systems into smaller building blocks specializing in a few tasks since one entity cannot achieve everything. Therefore, self-assembly is a robust tool exploited by Nature to build hierarchical systems that accomplish unique functions. The cell membrane distinguishes itself as an example of Nature’s self-assembly, defining and protecting the cell. By mimicking Nature’s designs using synthetically designed self-assemblies, researchers with advanced nanotechnological comprehension can manipulate these synthetic self-assemblies to improve many aspects of modern medicine and materials science. Understanding the competing underlying molecular interactions in self-assembly is always of interest to the academic scientific community and industry. …
Minimalistic Peptide-Based Supramolecular Systems Relevant To The Chemical Origin Of Life, Daniela Kroiss
Minimalistic Peptide-Based Supramolecular Systems Relevant To The Chemical Origin Of Life, Daniela Kroiss
Dissertations, Theses, and Capstone Projects
All forms of life are based on biopolymers, which are made up of a selection of simple building blocks, such as amino acids, nucleotides, fatty acids and sugars. Their individual properties govern their interactions, giving rise to complex supramolecular structures with highly specialized functionality, including ligand recognition, catalysis and compartmentalization. In this thesis, we aim to answer the question whether short peptides could have acted as precursors of modern proteins during prebiotic evolution. Using a combination of experimental and computational techniques, we screened a large molecular search space for peptide sequences that are capable of forming supramolecular complexes with adenosine …
Synthesis And Characterization Of Dielectric And Multiferroic Nanocrystalline Transition Metal Oxide Materials And Nanocomposites, Frederick A. Pearsall
Synthesis And Characterization Of Dielectric And Multiferroic Nanocrystalline Transition Metal Oxide Materials And Nanocomposites, Frederick A. Pearsall
Dissertations, Theses, and Capstone Projects
Nanocrystalline transition metal oxides with unique chemical, physical, magnetic and dielectric properties have very broad applications, ranging from photocatalysis, capacitor energy storage and 4-state memory. Frequency stable, high permittivity nanocomposite capacitors produced under mild processing conditions offer an attractive replacement to MLCCs derived from conventional ceramic firing. In one project reported herein, 0-3 nanocomposites were prepared using BaTiO3 (barium titanate, BTO) nanocrystals, suspended in a poly(furfuryl alcohol) matrix, resulting in a stable, high effective permittivity, low and stable loss dielectric. Effective medium approximations were used to compare this with similar nanocomposite systems. The use of synthesized BTO nanocrystal photocatalysts …
Nanoporous Carbon-Based Co2 Reduction Catalysts: Exploring The Combined Effects Of Surface Chemistry And Porosity, Wanlu Li
Dissertations, Theses, and Capstone Projects
For the first-time sulfur-doped, nitrogen-doped and sulfur, nitrogen-codoped nanoporous carbons were systematically studied as catalysts for CO2 electrochemical reduction reaction (CO2ERR). The Faradaic efficiencies (FE) of CO and CH4 formation were calculated to evaluate the performance of these carbons. The best catalysts showed the FE of CO and CH4 formation of 29% and 0.76%, respectively. It was found that the overall performance in CO2ERR dramatically increased upon the reduction pretreatment of the carbons in N2-saturated electrolyte before the CO2 reduction process. The pretreated carbon showed the maximum FE of CO …