BATTELLE 2003 Abstracts

Divya Dinish
Alicia Handy · Michael MichaelidesKimberly Odynocki

Divya DinishCT Image Reconstruction and Microbeam Radiation Therapy Dose Distribution Calculations at Brookhaven National Laboratory.
Divya Dinesh, Stony Brook University; Renat Yakupov, Tigran Bacarian, and F. Avraham Dilmanian, Medical Department, Brookhaven National Laboratory, Upton, New York

The first part of this project was within the ongoing research program at Brookhaven National Laboratory (BNL) known as Microbeam Radiation Therapy (MRT). MRT is an innovative experimental technique that uses arrays of parallel, thin (<100 µm wide) planes of synchrotron-generated x-ray beams to treat tumors. It has been shown at the National Synchrotron Light Source (NSLS), where the method was initiated in the 1990s, and at the European Synchrotron Radiation Facility (ESRF), Grenoble, France, that these microbeam arrays spare the normal tissue at doses ten times larger than those tolerated by conventional, unsegmented beams. It has also been shown that microbeams can kill malignant tumors by irradiation from a single direction, and a single exposure session. In choosing the MRT irradiation parameters, one should assure that the dose leakage between the individual microbeams (called the "valley" dose, caused by photon scattering, as well as the finite range of electrons on tissue) is adequately low to allow survival of the supportive cells between the beams. For this, Monte Carlo simulations are necessary to calculate the dose distribution in the tissue in a spatial resolution of a few µms. My first assignment was to develop a user interface for the EGS4 code (a general purpose package for the Monte Carlo simulations of coupled transport of electrons and photons in arbitrary geometries). For that, I had to learn the programming languages FORTRAN and MORTRAN. The User Code written in MORTRAN currently runs on the BNL's SUN2 mainframe using UNIX operating system. The code includes the beam-target geometries, beam energy spectrum and beam polarization, as well as the EGS4 variables. I then installed the subroutines LSCAT (handling low-energy photon scattering), and PRESTA (handling short-step electron stopping). My results showed that the valley dose from a 4 cm x 4 cm array of microbeams made of 90 µm beam width, 400 µm beam spacing, 90% linear polarization perpendicular to the planes of the microbeams, and 120 keV median beam energy, in the center of a soft-tissue cylindrical phantom of 16 cm diameter and 16 cm length (where the beam impinged perpendicularly in the center of one of the two cylinder's face) was 9.8% of the peak dose. My second assignment was related to x-ray imaging. It required mastering a software package written in C by Tigran Bacarian at BNL for computed tomography (CT) image simulation and reconstruction, and applying it to new studies. I was required to evaluate image contrast to noise ratio (CNR) in phantoms containing different contrast agents imaged with x-ray beams of different energy spectra. I ran the code for an Acrylic, "cylindrical" phantoms (with round or elliptical cross section), with axial channels filled with different concentrations of iodine and gadolinium as contrast agents. It uses different simulated beam spectra, produced analytically with normal noise added to them, to generate simulated CT projection. The projections were then combined into a sinogram, which was reconstructed using a Filtered Back Projection algorithm. The package included a routine for beam-hardening correction, and used different reconstruction filters to adjust image noise versus the spatial resolution. Using the image processing tools of IDL (Interactive Data Language) I was able to calculate the CNR. The CNR values for 2 mg Gd/ml and 2 mg I/ml contrast agent concentrations, a 100 kVp energy spectrum filtered with 1.2 mm Al, and a 0.03Gy surface dose, were 5.5 and 3.0, respectively. In addition to the above work, I also participated in experiments at the NSLS to study the microbeam effects on the normal and cancerous rats brain tissues. During the course of this fellowship, I got the opportunity to attend the BNL-IBM blue gene science workshop held on July 31st and August 1st, 2003 at BNL. This research opportunity was supported by theWISE-Battelle summer Fellowship.
Alicia Handy

Closing the Water Budget of a Small Watershed: The Department of Energy Pilot Study.
Alicia Handy, Stony Brook University; Mark Miller (Advisor), Mary Jane Bartholomew (Co-Advisor), Earth Systems Sciences Division, Brookhaven National Laboratory.

Understanding the impacts of precipitation and evaporation on surface water runoff and ground water is essential in determining the water supply of an area. For this study, these measurements were taken at the White Water River Watershed, which is a part of the Walnut River Water Basin. The basin is located in the southern section of Kansas and is a small part of the Atmospheric Radiation Measurement (ARM) Program's Southern Great Plains Site. This study focuses on data taken from March 2000. Daily evaporation rates were calculated based on the latent heat flux obtained from the ARM data archive. From there, the evaporation rates were compared to the average daily precipitation rates for that area (426 square miles). The total atmospheric contribution of water was determined based on the difference between the precipitation and evaporation values. This value was then compared to stream flow data for March 2000. There was a correlation between the amount of precipitation received at the site and the volume of water flowing through the site. Flow increased approximately one day after significant rainfall had occurred. Because of the importance of ground water in Kansas, an estimate of the recharge rate was determined based on the difference between total atmospheric input and stream flow. The recharge rate also showed a correlation between water input and output. The purpose of this study is to enable us to get a better understanding of the water budget in order to be able to forecast and predict potential water supply issues on local, regional, and global scales. This work was supported by the WISE-Battelle Fellowship.

Michael Michaelides

The Role of Dopamine D2 Receptors (DRD2) in Obesity: A microPET Model
Michael Michaelides, Stony Brook University; and Peter Thanos, Medical Department, Brookhaven National Laboratory.

The mechanism(s) underlying obesity is not well understood. The dopamine neurotransmitter is among the possible factors that are involved. Here we used Zucker rats, which have a leptin deficiency that make them more prone to becoming obese. There are two types of Zucker rats: lean (Le) and obese (Ob). The present study consisted of 4 groups: 1) Obese (Ob)- previously unrestricted diet (PUD), 2) Ob - previously restricted (20g/day) diet (PRD), 3) Lean (Le) - PUD, 4) Le- PRD. The rats were scanned in a mPET R4 scanner at 8, 18 and 52 weeks. At 18 weeks, the environmental conditions were altered, and the rats that were previously on a restricted diet were then on an unrestricted one and vice versa. What the study was primarily focused on were the effects of aging and environmental conditions (food intake) on the levels of DRD2 receptors in both Obese and Lease rats. The tracer used for the mPET imaging was [c-11] raclopride. The scans were then analyzed using the PMOD (Pixelwise Modeling) software. This was done by ROI designation as well as MRI/PET coregistration combined with ROI designation. Data analysis (t-tests, ANOVA's) were carried out and showed a significant difference (P<0.001) in DRD2 receptors between Ob PUD and Le PUD groups at 8, 18, and 52 weeks. There was also a significant difference (P<0.001) in Le PUD and Le-PRD rats at 18 and 52 weeks. As well, there was a significant difference (P<0.001) between Ob PRD and Le PUD, and between Ob PUD and Le PRD, both at 18 weeks. There was no significant difference between these four latter groups at 52 weeks. This work was supported with funding from Battelle.

 

Kimberly Odynocki

Effect of Ether Substitutions on Properties of Ionic Liquids.
Kimberly Odynocki, Stony Brook University; Alison Funston and James Wishart, Chemistry Department, Brookhaven National Laboratory.

The purpose of this project was to synthesize new ionic liquids with different anions or ether groups, and to characterize the effects of the modifications on the properties of the liquids. Ionic liquids are salts that have low melting points (below 100ºC) and no vapor pressure, which prevents them from evaporating. The reason ionic liquids are being so widely studied is because they would be safer, more environmentally friendly solvents for reactions than the volatile organic solvents used today. However, some ionic liquids are too viscous to be used effectively in industry, which is why ether substitutions were studied. It had been observed anecdotally that ether substitutions can lower the viscosity and melting point of an ionic liquid without significantly changing other properties, and this project was designed to quantify this effect. Five ionic liquids were synthesized, namely:
(1) Tributyl(methoxyethyl)ammonium bromide (Bu3(MeOEt)N+Br-)
(2) Tributyl(methoxyethyl)ammonium bis(trifluoromethylsulfonyl)imide (Bu3(MeOEt)N+NTf2-)
(3) Tetrabutylammonium bis(trifluoromethylsulfonyl)imide (Bu4N+NTf2-)
(4) Trihexyl(tetradecyl)phosphonium bis(trifluoromethylsulfonyl)imide (Hx3TdP+NTf2-)
(5) Methyltributylammonium dicyanoamide. (MeBu3N+N(CN)2-)
To synthesize an ionic liquid, the reactants (tertiary amines and alkyl halides) were refluxed in ethyl acetate under a blanket of nitrogen gas at elevated temperature for a given length of time. Metathesis reactions were generally done by mixing aqueous solutions of the cation halide and the alkali metal salt of the desired anion to produce a separate ionic liquid phase which was then purified. For the Bu3(MeOEt)N+Br- synthesis, it was found that refluxing the reaction at high temperature (76 ºC) for four days resulted in a product that was darker, but easier to clean and higher in yield than the same reaction run at 47 ºC for two weeks. After synthesizing new ionic liquids, it became clear that addition of an ether group results in ionic liquids with lower melting points and lower viscosities. This can be seen by comparing Bu3(MeOEt)N+NTf2- with Bu4N+NTf2-. Having an ether group on the cation instead of a butyl group decreases the melting point about 45 ºC (see chart). Replacing the bromide anion with the NTf2- anion also showed a significant decrease in melting point and viscosity. An example of this would be Bu3(MeOEt)N+Br-, whose melting point drops about 15 ºC by exchanging the Br- anion for an NTf2-. One exciting finding is that while Bu3(MeOEt)N+NTf2- is solid at room temperature, it has a very low viscosity once it is melted. This could be beneficial to industry because it can be easily transported as a solid, used as a solvent when melted with a small amount of heat, and then recrystalized again for storage. This project was funded by the Battelle Summer Research Fellowship Program.

 

 


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