Browsing Chemistry by Title
Now showing items 548-567 of 826
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Parallel Polyadenine Duplex Formation at Low pH Facilitates DNA Conjugation onto Gold Nanoparticles
(University of Waterloo, 2017-04-20)DNA-functionalized gold nanoparticles (AuNPs) have been extensively used in sensing, drug delivery, and materials science. A key step is to attach DNA onto AuNPs forming a stable and functional conjugate. While the traditional ... -
Parallel Polyadenine Duplex Formation at Low pH Facilitates DNA Conjugation onto Gold Nanoparticles
(American Chemical Society, 2016-11-15)DNA-functionalized gold nanoparticles (AuNPs) have been extensively used in sensing, drug delivery, and materials science. A key step is to attach DNA to AuNPs, forming a stable and functional conjugate. Although the ... -
A parallelized molecular collision cross section package with optimized accuracy and efficiency
(Royal Society of Chemistry, 2019)Ion mobility-based separation prior to mass spectrometry has become an invaluable tool in the structural elucidation of gas-phase ions and in the characterization of complex mixtures. Application of ion mobility to structural ... -
Part 1: Towards the Synthesis of Pyrene Zigzag Cyclacenes, Part 2: New Methods for the Synthesis of Conjugated Polymers
(University of Waterloo, 2021-09-30)Part 1: Carbon nanotubes (CNTs) are allotropes of carbon that have emerged as candidates for implementation in electronic devices ranging from transistors to solar cells. Unfortunately, the behavior of CNTs is highly ... -
Partial oligomerization of pyolysin induced by a disulfide-tethered mutant
(NRC Research Press, 2012-12)The bacterial toxin pyolysin (PLO) belongs to the family of cholesterol-dependent cytolysins (CDCs), which form large, ring-shaped oligomeric pores in cholesterol-containing membranes. Monomeric CDC molecules have a structure ... -
Parts-per-Million of Polyethylene Glycol as a Non-Interfering Blocking Agent for Homogeneous Biosensor Development
(American Chemical Society, 2013-11-05)Many homogeneous assays are complicated by the adsorption of probe molecules by the surface of reaction vessels, which are often made of polypropylene or polystyrene-based plastics. To solve this problem, many protein and ... -
Path Integral Approaches and Graphics Processing Unit Tools for Quantum Molecular Dynamics Simulations
(University of Waterloo, 2012-08-21)This thesis details both the technical and theoretical aspects of performing path integrals through classical Molecular Dynamics (MD) simulations. In particular, Graphics Processing Unit (GPU) computing is used to augment ... -
Path integral ground state approaches for the study of weakly bound clusters and confined molecules
(University of Waterloo, 2018-09-21)This thesis presents the study of weakly bound clusters in the ground state (or the zero-temperature limit) using path integral molecular dynamics. Specifically, we look individually at the quantum properties of small ... -
A path integral ground state replica trick approach for the computation of entanglement entropy of dipolar linear rotors
(AIP Publishing, 2020-05-14)We calculate the second Rényi entanglement entropy for systems of interacting linear rotors in their ground state as a measure of entanglement for continuous rotational degrees of freedom. The entropy is defined in relation ... -
A path integral methodology for obtaining thermodynamic properties of nonadiabatic systems using Gaussian mixture distributions
(American Institute of Physics, 2018-05)We introduce a new path integral Monte Carlo method for investigating nonadiabatic systems in thermal equilibrium and demonstrate an approach to reducing stochastic error. We derive a general path integral expression for ... -
A path integral Monte Carlo method for obtaining thermodynamic properties of nonadiabatic systems
(University of Waterloo, 2017-09-22)The calculation of thermochemical properties is an important goal of quantum chemistry. Calculation techniques are well established for stable molecules. They are used routinely to calculate Gibbs energy (G) for stable ... -
pH-Responsive Poly(Ethylene Glycol)- block -Polylactide Micelles for Tumor-Targeted Drug Delivery
(American Chemical Society, 2017-08-16)A biodegradable micellar drug delivery system with a pH-responsive sheddable PEG shell was developed using an acetal-linked poly(ethylene glycol)-block-polylactide (PEG-a-PLA) copolymer and applied to the tumoral release ... -
Pharmaceutical Applications of Gemini Surfactants
(University of Waterloo, 2011-01-10)Gemini surfactants are an intriguing class of surface active agents that are comprised of two surfactant monomers chemically linked at or near the headgroups by a rigid or flexible spacer. In comparison to their corresponding ... -
Photoaffinity Labels of Daptomycin
(University of Waterloo, 2014-05-23)Daptomycin (Dap) is a cyclic lipodepsipeptide antibiotic that is currently used in the treatment of bacterial infections caused by Staphylococcus aureus including the strains that are methicillin-resistant (MRSA), as well ... -
Photocatalytic Degradation of Microcystins by TiO2 Using UV-LED Controlled Periodic Illumination
(Multidisciplinary Digital Publishing Institute, 2019-02-14)Toxic microcystins (MCs) produced by freshwater cyanobacteria such as Microcystis aeruginosa are of concern because of their negative health and economic impacts globally. An advanced oxidation process using UV/TiO2 offers ... -
Photophysical and Optoelectronic Properties of Pristine, Doped and Surface-Functionalized Two-Dimensional Zinc Oxide Nanostructures
(University of Waterloo, 2016-01-20)As one of the most studied transparent conducting oxides, zinc oxide (ZnO) has received a lot of attention due to its physical, chemical, optical and optoelectronic properties. The present study focusses on the photophysical ... -
Physicochemical properties of isolated biomolecule clusters
(University of Waterloo, 2017-09-27)An investigation of the physicochemical properties of isolated biomolecule clusters is herein described. Three distinct subprojects examine (a) the role several complex organic ligands may play in the promotion or disruption ... -
Phytanyl substituted asymmetric gemini surfactant-based transfection vectors for gene therapy
(University of Waterloo, 2013-08-02)To achieve successful gene therapy, safe and efficient gene delivery vectors are needed. As an alternative to viral vectors, non-viral vectors, incorporating compounds such as cationic polymers and lipids have been widely ... -
Plasmon Induced Carrier Polarization in Semiconductor Nanocrystals
(University of Waterloo, 2020-01-24)Currently used technologies are reaching the natural performance limit, invigorating the development of different quantum technologies. Spintronics and valleytronics are emerging quantum electronic technologies that rely ... -
Plasmonic and Magneto-Optical Properties of Nonstoichiometric Indium Nitride Nanostructures
(University of Waterloo, 2019-10-23)Localized surface plasmon resonance (LSPR) in semiconductor nanostructures have attracted intense attention recently for its broad application in bio-imaging, chemical sensing, photocatalysis, and photovoltaics. Compared ...