In this study, we employ the discontinuous molecular dynamics simulation method to investigate the collapse properties of a single heteropolymer chain in an explicit solvent. Solvent density ρ, fraction of hydrophobic monomers n H (defined as the ratio of the number of hydrophobic monomers to the t...

Interstitial fiber-optic-based approaches used in both diagnostic and therapeutic applications rely on localized light-tissue interactions. We present an optical technique to identify spectrally and spatially specific exogenous chromophores in highly scattering turbid media. Point radiance spectrosc...

Raman spectroscopy is used to study the effects of heating on specific molecular bonds present in albumen-based coagulation phantoms and ex-vivo tissues. Thermal coagulation is induced by submerging albumen-based phantoms in a 75°C water bath to achieve target temperatures of 45, 55, 65, and 75°C....

We have used Brownian dynamics simulations to study the dynamics of a bead-and-spring polymer subject to a flashing ratchet potential. To elucidate the role of hydrodynamic (HD) interactions, simulations were carried out for the cases where HD interactions are present and when they are absent. The a...

The coil-globule transition of a polymer in a solvent has been studied using Monte Carlo simulations of a single chain subject to intramolecular interactions as well as a solvent-mediated effective potential. This solvation potential was calculated using several different theoretical approaches for ...

Photoacoustic (more precisely, photothermoacoustic) signals generated by the absorption of photons can be related to the incident laser fluence rate. The dependence of frequency domain photoacoustic (FD-PA) signals on the optical absorption coefficient (mu(a)) and the effective attenuation coefficie...

Photoacoustic (or more precisely, photothermoacoustic) signals are generated by the absorption of photons, expressed as acoustic waves, and can be related to the incident laser fluence rate. Here a calibration procedure for frequency domain (FD) photoacoustics is presented which utilizes the relatio...

In an effort to understand dynamic optical changes during laser interstitial thermal therapy ( LITT), we utilize the perturbative solution of the diffusion equation in heterogeneous media to formulate scattering weight functions for cylindrical line sources. The analysis explicitly shows how changes...

Event-driven molecular dynamics simulations are carried out on two rigid-body systems which differ in the symmetry of their molecular mass distributions. First, simulations of methane in which the molecules interact via discontinuous potentials are compared with simulations in which the molecules in...

A general framework for performing event-driven simulations of systems with semiflexible or rigid bodies interacting under impulsive forces is outlined. The method consists of specifying a means of computing the free evolution of constrained motion, evaluating the times at which interactions occur, ...

Interstitial quantification of the optical properties of tissue is important in biomedicine for both treatment planning of minimally invasive laser therapies and optical spectroscopic characterization of tissues, for example, prostate cancer. In a previous study, we analyzed a method first demonstra...

Motivated by a recent report by Dickey et al. [Phys. Med. Biol. 46, 2359 (2001)], who demonstrated optical property retrieval by using relative radiance measurements at a single position, we investigate the uniqueness of relative radiance measurements for quantifying the optical properties of turbid...

In this paper we report on the electrical characterization of conductive polyaniline and its derivatives. Conductivity measurements were also performed on the intercalated phases formed by the encapsulation of the polymers into layered molybdenum disulfide. These measurements were performed using th...

Molecular dynamics simulations were used to study the conformational dynamics of a bead-spring model polymer in an explicit solvent under good solvent conditions. The dynamics of the polymer chain were investigated using an analysis of the time autocorrelation functions of the Rouse coordinates of t...

Discontinuous molecular dynamics simulations were used to study the coil-globule transition of a polymer in an explicit solvent. Two different versions of the model were employed, which are differentiated by the nature of monomer-solvent, solvent-solvent, and nonbonded monomer-monomer interactions. ...

Background and Objectives: Fluoroptic sensors are used to measure interstitial temperatures but their utility for monitoring laser interstitial thermal therapy (LITT) is unclear because these sensors exhibit a measurement artefact when exposed to the near-infrared (NIR) treatment light. This study i...

A sensor has been developed to monitor objects passing through tunnels using a capacitance bridge. While the sensor concept is easily adaptable to a wide range of objects or organisms which pass through an enclosed area, our version of the sensor was designed specifically for monitoring bumblebee co...