Browsing Science (Faculty of) by Title
Now showing items 2031-2050 of 3022
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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 ... -
Particle Distributions in a Block Copolymer Nanocomposite
(American Chemical Society, 2008)Self-consistent-field theory is used to predict the center-of-mass distribution of spherical nanoparticles embedded in the lamellar phase of a diblock copolymer melt. The calculation is performed in the dilute limit, where ... -
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 ... -
Passive In Situ Treatment of Acidic and Neutral Mine Drainage: Field and Laboratory Investigations
(University of Waterloo, 2009-12-16)Water quality degradation is the foremost environmental issue faced by the mining industry. Negative impacts on water quality are commonly associated with unmitigated drainage emanating from sulfide-bearing mine waste ... -
Passive sampling to understand and predict sources of wastewater and agricultural contamination in rural watersheds
(University of Waterloo, 2023-07-12)Passive sampling techniques have emerged as valuable tools in environmental monitoring, offering distinct advantages over traditional discrete sampling methods. Discrete sampling techniques are only representative of the ... -
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 ... -
Path integral Langevin dynamics of complex molecular systems: from low-temperature quantum clusters to biomolecules
(University of Waterloo, 2011-08-31)This thesis presents an implementation of path integral molecular dynamics (PIMD) for sampling equilibrium and dynamical properties within the molecular modelling toolkit (MMTK) [J. Comp. Chem. 21, 79 (2000)], an open ... -
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 ... -
Path Integrals in the Sky: Classical and Quantum Problems with Minimal Assumptions
(University of Waterloo, 2019-10-24)Cosmology has, after the formulation of general relativity, been transformed from a branch of philosophy into an active field in physics. Notwithstanding the significant improvements in our understanding of our Universe, ... -
Patient compliance with contemporary contact lenses: Impact on successful contact lens wear
(University of Waterloo, 2013-04-15)Purpose: Contact lens (CL) materials, modalities of wear and replacement, and care systems have changed considerably since the early studies of CL compliance were first conducted. Silicone hydrogel (SiHy) and daily disposable ... -
Peculiar Velocities and Large Scale Flows as Probes of Gravity, ΛCDM and the Growth of Structure over Cosmic Time
(University of Waterloo, 2012-09-28)Peculiar velocities are possibly the most powerful probes of very large-scale mass density fluctuations in the nearby Universe. When coupled with a density field they also can constrain the growth factor of the universe ... -
Pediatric Physiologically Based Pharmacokinetic (PBPK) Modeling to Advance Knowledge of Breastfeeding Infant Exposure to Maternal Medications
(University of Waterloo, 2023-05-04)While there are benefits of breastfeeding to the maternal-infant pair, mothers taking medication may decide not to breastfeed amid unclear risks of exposing the infant to the drug through milk. Uncertainty arises mainly ... -
Peptide and peptide-carbon nanotube hydrogels as scaffolds for tissue & 3D tumor engineering
(Elsevier, 2018-03-15)The use of hybrid self-assembling peptide (EFK8)-carbon nanotube (SWNT) hydrogels for tissue engineering and in vitro 3D cancer spheroid formation is reported. These hybrid hydrogels are shown to enhance the attachment, ... -
Peptide and peptide-carbon nanotube hydrogels as scaffolds for tissue & 3D tumor engineering
(Elsevier, 2018-03-15)The use of hybrid self-assembling peptide (EFK8)-carbon nanotube (SWNT) hydrogels for tissue engineering and in vitro 3D cancer spheroid formation is reported. These hybrid hydrogels are shown to enhance the attachment, ... -
Peptide-Driven Tri-Modal Gene Delivery Systems (PDTMG): Novel Versatile Peptide-Based Lipopolyplexes Incorporating Peptide-Functionalized Gemini Surfactants for Targeted Gene Therapy- Implementation of RGD Motifs as a Means for Endosomal Escape
(University of Waterloo, 2018-09-04)The development of non-viral gene delivery vectors is highly challenging and aims to provide a safe while cost-effective manufacturing alternative to viral vectors. Eleven novel gemini surfactants (G4-G14) were designed ... -
Perceptions of Community-Dwelling Patients on the Impact of the Discontinuation of OxyContin® on their Pain Management: A Mixed Methods Study
(University of Waterloo, 2014-09-02)Chronic pain is considered a major health problem in older adults. OxyContin®, one of the most commonly used medications for treating pain in Canada, was recently discontinued, and delisted from the Ontario Drug Formulary ... -
Performance of Treatment Media for the Stabilization of Mercury under Variable Geochemical Conditions
(University of Waterloo, 2010-10-01)Mercury-contaminated sediments are found in many locations throughout North America and the world. Release of Hg from such sediments and subsequent biological uptake can result in biomagnification in associated ecosystems. ...