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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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All sourcesNASA NTRSDOE OSTI
DOE OSTI2016

Ab-initio calculations of semiconductor MgGeP{sub 2} and MgGeAs{sub 2}

Highlights: • MgGeP{sub 2} and MgGeAs{sub 2} are semiconductor compounds. • MgGeP{sub 2} and MgGeAs{sub 2} are energetically, mechanically and dynamically stable. • The electronic charge density contour plot shows that the nature of bonding is a mixture of ionic-covalent. - Abstract: In this study, we focus on structural, electronic, elastic, lattice dynamic and optic properties of MgGeP{sub 2} and MgGeAs{sub 2} using ab-initio density-functional theory (DFT) within Armiento-Mattson 2005 (AM05) scheme of the generalized gradient approximation (GGA) for the exchange-correlation potential. Our computed structural results are in reasonable agreement with the literature. The band gap of these compounds is predicted to be direct. Our elastic results prove that these compounds are mechanically stable. The obtained phonon spectra of MgGeP{sub 2} and MgGeAs{sub 2} do not exhibit any significant imaginary branches using GGA-AM05 for the exchange-correlation approximation. Further analysis of the optical response of the dielectric functions, optical reflectivity, refractive index, extinction coefficient and electron energy loss delves into for the energy range of 0–22.5 eV. It motivated that there exists an optical polarization anisotropy of these compounds for optoelectronic device applications.

36 MATERIALS SCIENCE↗
DOE OSTI2018

The clustering of galaxies in the completed SDSS-III Baryon Oscillation Spectroscopic Survey: theoretical systematics and Baryon Acoustic Oscillations in the galaxy correlation function

We investigate the potential sources of theoretical systematics in the anisotropic Baryon Acoustic Oscillation (BAO) distance scale measurements from the clustering of galaxies in configuration space using the final Data Release (DR12) of the Baryon Oscillation Spectroscopic Survey (BOSS). We perform a detailed study of the impact on BAO measurements from choices in the methodology such as fiducial cosmology, clustering estimators, random catalogues, fitting templates, and covariance matrices. The theoretical systematic uncertainties in BAO parameters are found to be 0.002 in the isotropic dilation α and 0.003 in the quadrupolar dilation ε. The leading source of systematic uncertainty is related to the reconstruction techniques. Theoretical uncertainties are sub-dominant compared with the statistical uncertainties for BOSS survey, accounting 0.2σ stat for α and 0.25σ stat for ε (σ α , stat ~ 0.010 and σ ε , stat ~ 0.012, respectively). We also present BAO-only distance scale constraints from the anisotropic analysis of the correlation function. Our constraints on the angular diameter distance D A (z) and the Hubble parameter H(z), including both statistical and theoretical systematic uncertainties, are 1.5 percent and 2.8 percent at z eff = 0.38, 1.4 percent and 2.4 percent at z eff = 0.51, and 1.7 percent and 2.6 percent at z eff = 0.61. This paper is part of a set that analyses the final galaxy clustering data set from BOSS. The measurements and likelihoods presented here are cross-checked with other BAO analysis in Alam et al. The systematic error budget concerning the methodology on post-reconstruction BAO analysis presented here is used in Alam et al. to produce the final cosmological constraints from BOSS.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2024

Ring Pull Strain Analysis

Ring Pull Strain Analysis (RPSA) is a framework for analysis of Digital Image Correlation (DIC) data of gaugeless ring pull testing. It is meant for analysis of rings cut from tube cross sections and pulled in a displacement-controlled tensile test. This code takes load frame data, images take during testing, and csv files from the DIC analysis of those images and allows the user to analyze and plot data from the test. Some important features of the software include getting the strain values as a function of radial distance and angle, plotting of the strain around the ring, and stress-strain analysis of the load frame data. Additional capability is included with Ring Pull Coating Analysis (RPCA, also part of the software). Additional images are taken of samples with an outer coating and are used to correlate failure of the coating with strain values measured with DIC.

Beck, Peter↗
NASA NTRS2007

Correlation of Spacecraft Mission and Project Costs

A key component of any cost risk analysis is the level of correlation between individual elements of cost. This analysis supplements the available historical records with the cost estimates from the JPL Advanced Design Team. The costs from actual JPL flight projects are then used to validate the results, clearly indicating that, on average, the correlation between elements of cost is between 0.4 and 0.7.

correlation↗
DOE OSTI2015

Coherent states for nonlinear harmonic oscillator and some of its properties

A one-dimensional nonlinear harmonic oscillator is studied in the context of generalized coherent states. We develop a perturbative framework to compute the eigenvalues and eigenstates for the quantum nonlinear oscillator and construct the generalized coherent states based on Gazeau-Klauder formalism. We analyze their statistical properties by means of Mandel parameter and second order correlation function. Our analysis reveals that the constructed coherent states exhibit super-Poissonian statistics. Moreover, it is shown that the coherent states mimic the phenomena of quantum revivals and fractional revivals during their time evolution. The validity of our results has been discussed in terms of various parametric bounds imposed by our computational scheme.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2021

Dipole Moment Calculations Using Multiconfiguration Pair-Density Functional Theory and Hybrid Multiconfiguration Pair-Density Functional Theory

The dipole moment is the molecular property that most directly indicates molecular polarity. The accuracy of computed dipole moments depends strongly on the quality of the calculated electron density, and the breakdown of single-reference methods for strongly correlated systems can lead to poor predictions of the dipole moments in those cases. Here, we derive the analytical expression for obtaining the electric dipole moment by multiconfiguration pair density functional theory (MCPDFT), and we assess the accuracy of MC-PDFT for predicting dipole moments at equilibrium and nonequilibrium geometries. We show that MC-PDFT dipole moment curves have reasonable behavior even for stretched geometries, and they significantly improve upon the CASSCF results by capturing more electron correlation. Herein, the analysis of a dataset consisting of 18 first-row transition metal diatomics and 6 main-group polyatomic molecules with multireference character suggests that MC-PDFT and its hybrid extension (HMC-PDFT) perform comparably to CASPT2 and MRCISD+Q methods and have a mean unsigned deviation of 0.2–0.3 D with respect to the best available dipole moment reference values. We explored the dependence of the predicted dipole moments upon the choice of the on-top density functional and active space, and we recommend the tPBE and hybrid tPBE0 on-top choices for the functionals combined with the moderate correlated participating orbital scheme for selecting the active space. With these choices, the mean unsigned deviations (in debyes) of the calculated equilibrium dipole moments from the best estimates are 0.77 for CASSCF, 0.29 for MC-PDFT, 0.24 for HMCPDFT, 0.28 for CASPT2, and 0.25 for MRCISD+Q. These results are encouraging because the computational cost of MC-PDFT or HMC-PDFT is largely reduced compared to the CASPT2 and MRCISD+Q methods.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2019

Computational Modeling of Fracture Toughness of Al-Si and Al-Zn-Mg-Cu Alloys with Detected Porosity

This article presents the results of an experimental and numerical analysis of the fracture resistance of cast aluminum alloys subjected to variable loads over time based on the fracture mechanics method. The subjects of the analysis were the AlSi9 and AlZn6MgCu alloys (usually used for plastic processing) in which the presence of porosities in the form of separate or dispersed voids was revealed experimentally. The material for the experimental procedures was obtained directly from a casting or from casting samples. Depending on the type of the defect detected, different numerical models were proposed. The results of the numerical calculations were verified experimentally. Static tensile tests, fatigue low-cycle tests, fracture mechanics tests, fatigue crack propagation tests, a microscopic examination of the sample fracture area, and an x-ray tomographic analysis were all performed. A correlation of the results between the numerical analysis and the experimental work has been found. On the basis of the proposed calculation models, the fatigue life of castings of the analyzed alloys can be predicted in the case of concentrated and dispersed defects.

36 MATERIALS SCIENCE↗
DOE OSTI2020

The Development of a Generalized Riser Flow Regime Map Based Upon Higher Moment and Chaotic Statistics Using Electrical Capacitance Volume Tomography (ECVT)

Dynamic analyses have been applied to the temporal signals from an Electro Capacitance Volume Tomography instrument located near mid-height on the riser of an industrial-scale cold-flow circulating fluidized bed to characterize gas-solids flow behavior in the riser. Twelve capacitance electrodes surround the cylindrical riser over a height of 1.3 m. The instrument used a neural network deconvolution algorithm to determine the spatially resolved solids fraction recorded at 52 Hz. Experiments were carried out over a range of gas and solids flows in the transport regime using a Geldart Group B bed material, high density polyethylene with mean particle size of 880 μm. The radial solids distribution was found to vary from one-time step to the next between profiles typical of laminar and turbulent flow. The duration of time spent in each of these flow profiles depended upon the operating regime – dilute, core-annular, or fast fluidized bed. The chaotic structure of the temporal data was characterized using the three conventional approaches: the first 4 moments from the distribution of signal in time, system memory parameters from the autocorrelation function and the Hurst exponent, and analysis of the correlationentropy and correlation dimension of the attractor. These signal analysis techniques were used to clearly distinguish differences between different transport operating regimes. Specifically, it was experimentally observed that a riser transitions from core annular flow profile to dilute and dense regimes via increasing the frequency of short term transients to either dilute or dense flow profiles, respectively. A regime map was generated based upon these dynamics using solids flux and gas velocity axes. Fast fluidized, core annular, and dilute each exhibited different degree of dynamic characteristics typical of fluid dominated or particle compromising behavior. It should be noted that the magnitude for the different statistics was in the same range regardless of the regime, it was the radial profile for the statistic that changed and subsequently identified that there was a change in the regime. Finally, a reduced regime map was developed consisting of plotting the gas velocity normalized by the upper transport velocity versus the solids flux normalized by the saturation carrying capacity. The use of this reduced plot allowed the data from widely different conditions to be plotted and compared on the same<p>graph. Note that in many instances, some of the statistics identified the operating point as being in one regime while others indicated that it was in another indicating a transition region between dilute or core annular regimes and between the core annular and fast fluidization regimes. This now provides a tool that can be used to optimize process performance, identify changes in operating states, or replicate process dynamics during process scaling or changing operating parameters. </p>

Breault, Ronald↗
NASA NTRSDate not supplied

Batch Effect Correction Methods for NASA GeneLab Transcriptomic Datasets

RNA sequencing (RNA-seq) data from space biology experiments promise to yield invaluable insights into the effects of spaceflight on terrestrial biology. However, sample numbers from each study are low due to limited crew availability, hardware, and space. To increase statistical power, spaceflight RNA-seq datasets from different missions are often aggregated together. However, this can introduce technical variation or "batch effects", often due to differences in sample handling, sample processing, and sequencing platforms. Several computational methods have been developed to correct for technical batch effects, thereby reducing their impact on true biological signals. In this study, we combined 7 mouse liver RNA-seq datasets from NASA GeneLab (part of the NASA Open Science Data Repository) to evaluate several common batch effect correction methods (ComBat and ComBat-seq from the sva R package, and Median Polish, Empirical Bayes, and ANOVA from the MBatch R package). We quantitatively evaluated the ability of these methods to correct for technical batch variables in space biology RNA-seq data using the following criteria: BatchQC, principal component analysis, dispersion separability criterion, log fold change correlation, and differential gene expression analysis. Each batch variable / correction method combination was then assessed using a custom scoring approach to identify the optimal correction method for the combined dataset, by geometrically probing the space of all allowable scoring functions to yield an aggregate volume-based scoring measure. Finally, we describe the way in which the GeneLab multi-study analysis and visualization portal will allow users to examine the presence or absence of batch effects using multiple metrics. If the user chooses to perform batch effect correction, the scoring approach described here can be implemented to identify the optimal correction method to use for their specific combined dataset prior to analysis.

Lauren M. Sanders↗
DOE OSTI2018

Application of Genetic Algorithm (GA) Assisted Partial Least Square (PLS) Analysis on Trilinear and Non-trilinear Fluorescence Data Sets to Quantify the Fluorophores in Multifluorophoric Mixtures: Improving Quantification Accuracy of Fluorimetric Estimations of Dilute Aqueous Mixtures

Excitation-emission matrix fluorescence (EEMF) and total synchronous fluorescence spectroscopy (TSFS) are the 2 fluorescence techniques that are commonly used for the analysis of multifluorophoric mixtures. These 2 fluorescence techniques are conceptually different and provide certain advantages over each other. The manual analysis of such highly correlated large volume of EEMF and TSFS towards developing a calibration model is difficult. Partial least square (PLS) analysis can analyze the large volume of EEMF and TSFS data sets by finding important factors that maximize the correlation between the spectral and concentration information for each fluorophore. However, often the application of PLS analysis on entire data sets does not provide a robust calibration model and requires application of suitable pre-processing step. The present work evaluates the application of genetic algorithm (GA) analysis prior to PLS analysis on EEMF and TSFS data sets towards improving the precision and accuracy of the calibration model. The GA algorithm essentially combines the advantages provided by stochastic methods with those provided by deterministic approaches and can find the set of EEMF and TSFS variables that perfectly correlate well with the concentration of each of the fluorophores present in the multifluorophoric mixtures. The utility of the GA assisted PLS analysis is successfully validated using (i) EEMF data sets acquired for dilute aqueous mixture of four biomolecules and (ii) TSFS data sets acquired for dilute aqueous mixtures of four carcinogenic polycyclic aromatic hydrocarbons (PAHs) mixtures. In the present work, it is shown that by using the GA it is possible to significantly improve the accuracy and precision of the PLS calibration model developed for both EEMF and TSFS data set. Hence, GA must be considered as a useful pre-processing technique while developing an EEMF and TSFS calibration model.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2015

Intrafraction Variability and Deformation Quantification in the Breast

Purpose: To evaluate intrafraction variability and deformation of the lumpectomy cavity (LC), breast, and nearby organs. Methods and Materials: Sixteen left-sided postlumpectomy and 1 bilateral breast cancer cases underwent free-breathing CT (FBCT) and 10-phase 4-dimensional CT (4DCT). Deformable image registration was used for deformation analysis and contour propagation of breast, heart, lungs, and LC between end-exhale and end-inhale 4DCT phases. Respiration-induced motion was calculated via centroid analysis. Two planning target volumes (PTVs) were compared: PTV{sub FBCT} from the FBCT volume with an isotropic 10 mm expansion (5 mm excursion and 5 mm setup error) and PTV{sub 4DCT} generated from the union of 4DCT contours with isotropic 5 mm margin for setup error. Volume and geometry were evaluated via percent difference and bounding box analysis, respectively. Deformation correlations between breast/cavity, breast/lung, and breast/heart were evaluated. Associations were tested between cavity deformation and proximity to chest wall and breast surface. Results: Population-based 3-dimensional vector excursions were 2.5 ± 1.0 mm (range, 0.8-3.8 mm) for the cavity and 2.0 ± 0.8 mm (range, 0.7-3.0 mm) for the ipsilateral breast. Cavity excursion was predominantly in the anterior and superior directions (1.0 ± 0.8 mm and −1.8 ± 1.2 mm, respectively). Similarly, for all cases, LCs and ipsilateral breasts yielded median deformation values in the superior direction. For 14 of 17 patients, the LCs and breast interquartile ranges tended toward the anterior direction. The PTV{sub FBCT} was 51.5% ± 10.8% larger (P<.01) than PTV{sub 4DCT}. Bounding box analysis revealed that PTV{sub FBCT} was 9.8 ± 1.2 (lateral), 9.0 ± 2.2 (anterior–posterior), and 3.9 ± 1.8 (superior–inferior) mm larger than PTV{sub 4DCT}. Significant associations between breast and cavity deformation were found for 6 of 9 axes. No dependency was found between cavity deformation and proximity to chest wall or breast surface. Conclusions: Lumpectomy cavity and breast deformation and motion demonstrated large variability. A PTV{sub 4DCT} approach showed value in patient-specific margins, particularly if robust interfraction setup analysis can be performed.

62 RADIOLOGY AND NUCLEAR MEDICINE↗
DOE OSTI2026

How threshold effects in spectroscopic factors influence heavy-ion knockout reactions

A two-decade-old puzzle in heavy-ion one-nucleon knockout reactions is the strong correlation between the reduction factor R S = σ exp /σ t h and the Fermi surface asymmetry ΔS. Theoretical cross sections typically rely on spectroscopic factors (SFs) from shell model (SM) calculations, which neglect continuum coupling effects. Here, we employ the Gamow shell model (GSM), which explicitly incorporates continuum coupling, to compute SFs for p-shell nuclei and predict corresponding theoretical cross sections. Systematic calculations demonstrate that using GSM-derived SFs substantially reduces discrepancies between theoretical and experimental results. This improvement is particularly significant for deeply bound nucleon knockout in nuclei near the dripline, where traditional SM-based calculations fall short. As a result, using GSM SFs, the ratio R s exhibits no pronounced dependence on ΔS. Furthermore, both the ratio of GSM SFs to SM SFs and their corresponding reaction cross sections ratios exhibit a strong ΔS dependence. We have also compared GSM SFs and cross sections with those from the no-core shell model calculations, giving a similar pronounced sensitivity to ΔS. Detailed analysis attributes these correlations to threshold effects for SFs in weakly bound systems. Overall, incorporating continuum coupling via GSM enhances the reliability of SF predictions for exotic, weakly bound nuclei and provides key insights toward resolving the enduring puzzle in heavy-ion knockout reactions from a nuclear structure perspective.

Gamow shell model↗
NASA NTRS2021

Assimilation of SMAP Brightness Temperature Observations in the GEOS Land–Atmosphere Data Assimilation System

Errors in soil moisture adversely impact the modeling of land–atmosphere water and energy fluxes and, consequently, near-surface atmospheric conditions in atmospheric data assimilation systems (ADAS). To mitigate such errors, a land surface analysis is included in many such systems, although not yet in the currently operational NASA Goddard Earth Observing System (GEOS) ADAS. This article investigates the assimilation of L-band brightness temperature (Tb) observations from the Soil Moisture Active Passive (SMAP) mission in the GEOS weakly coupled land–atmosphere data assimilation system (LADAS) during boreal summer 2017. The SMAP Tb analysis improves the correlation of LADAS surface and root-zone soil moisture versus in situ measurements by ∼0.1–0.26 over that of ADAS estimates; the unbiased root-mean-square error of LADAS soil moisture is reduced by 0.002–0.008 m^3 /m^3 from that of ADAS. Furthermore, the global land average RMSE versus in situ measurements of screen-level air specific humidity (q2m) and daily maximum temperature (T2m_max ) is reduced by 0.05 g/kg and 0.04 K, respectively, for LADAS compared to ADAS estimates. Regionally, the RMSE of LADAS q2m and T2m_max is improved by up to 0.4 g/kg and 0.3 K, respectively. Improvement in LADAS specific humidity extends into the lower troposphere (below ∼700 mb), with relative improvements in bias of 15–25%, although LADAS air temperature bias slightly increases relative to that of ADAS. Finally, the root mean square of the LADAS Tb observation-minus-forecast residuals is smaller by up to ∼0.1 K than in a land-only assimilation system, corroborating the positive impact of the Tb analysis on the modeled land–atmosphere coupling.

microwave remote sensing↗
DOE OSTI2026

Anion-dependent phase behavior of methylimidazolium-based ionic liquids mixed with water: Correlation between local molecular structure and mesoscale behaviors

The mesoscopic phase behavior of decylmethylimidazolium (C 10 mim) ionic liquids (ILs) bearing three monovalent anions—thiocyanate (SCN − ), nitrate (NO 3 − ), and chloride (Cl − )—mixed with water at relatively high IL contents (50–95 wt%) was investigated. Small-angle and wide-angle X-ray scattering (SAXS/WAXS) were employed to follow the evolution of both local and mesoscale structures across this composition range. In the absence of water, C 10 mimSCN and C 10 mimCl behaved as disordered liquids, whereas C 10 mimNO 3 spontaneously formed a hexagonally ordered cylindrical mesophase and displayed a sticky-solid macroscopic appearance. Upon addition of water, C 10 mimSCN remained a viscous liquid and only weakly ordered lamellar domains were observed. This limited ordering is attributed to the lack of hydrogen bonding and weak interaction energy between SCN − anions and C 10 mim + cations. In contrast, the trigonal-planar NO 3 − and point-like Cl − anions promoted the formation of well-defined hexagonal mesophases up to 35–45 wt% water. The formation of hydrogen bonding of the two anions with imidazolium ring protons likely enabled the creation of compact ion clusters that effectively exclude water molecules from the immediate vicinity of the IL aggregates. These findings demonstrate that the interaction energy between ion pairs dictate IL-water interactions and therefore control the transition from disordered liquids to ordered mesophases in IL/water mixtures with high IL contents. In conclusion, the combined SAXS/WAXS analysis reveals a correlation between local intermolecular structure and the emergence of mesoscopic order, providing a systematic framework for tailoring mesoscale structures in alkylimidazolium-based IL/water systems.

36 MATERIALS SCIENCE↗
DOE OSTI2012

Hypopharyngeal Dose Is Associated With Severe Late Toxicity in Locally Advanced Head-and-Neck Cancer: An RTOG Analysis

Purpose: Concurrent chemoradiation therapy (CCRT) for squamous cell carcinoma of the head and neck (SCCHN) increases local tumor control but at the expense of increased toxicity. We recently showed that several clinical/pretreatment factors were associated with the occurrence of severe late toxicity. This study evaluated the potential relationship between radiation dose delivered to the pharyngeal wall and toxicity. Methods and Materials: This was an analysis of long-term survivors from 3 previously reported Radiation Therapy Oncology Group (RTOG) trials of CCRT for locally advanced SCCHN (RTOG trials 91-11, 97-03, and 99-14). Severe late toxicity was defined in this secondary analysis as chronic grade 3-4 pharyngeal/laryngeal toxicity and/or requirement for a feeding tube {>=}2 years after registration and/or potential treatment-related death (eg, pneumonia) within 3 years. Radiation dosimetry (2-dimensional) analysis was performed centrally at RTOG headquarters to estimate doses to 4 regions of interest along the pharyngeal wall (superior oropharynx, inferior oropharynx, superior hypopharynx, and inferior hypopharynx). Case-control analysis was performed with a multivariate logistic regression model that included pretreatment and treatment potential factors. Results: A total of 154 patients were evaluable for this analysis, 71 cases (patients with severe late toxicities) and 83 controls; thus, 46% of evaluable patients had a severe late toxicity. On multivariate analysis, significant variables correlated with the development of severe late toxicity, including older age (odds ratio, 1.062 per year; P=.0021) and radiation dose received by the inferior hypopharynx (odds ratio, 1.023 per Gy; P=.016). The subgroup of patients receiving {<=}60 Gy to the inferior hypopharynx had a 40% rate of severe late toxicity compared with 56% for patients receiving >60 Gy. Oropharyngeal dose was not associated with this outcome. Conclusions: Severe late toxicity following CCRT is common in long-term survivors. Age is the most significant factor, but hypopharyngeal dose also was associated.

62 RADIOLOGY AND NUCLEAR MEDICINE↗
DOE OSTI2015

SU-C-BRD-04: Comparison of Shallow Fluence to Deep Point Dose Measurements for Spine VMAT SBRT Patient-Specific QA

Purpose: To investigate the sensitivity of traditional gamma-index-based fluence measurements for patient-specific measurements in VMAT delivered spine SBRT. Methods: The ten most recent cases for spine SBRT were selected. All cases were planned with Eclipse RapidArc for a TrueBeam STx. The delivery was verified using a point dose measurement with a Pinpoint 3D micro-ion chamber in a Standard Imaging Stereotactic Dose Verification Phantom. Two points were selected for each case, one within the target in a low dose-gradient region and one in the spinal cord. Measurements were localized using on-board CBCT. Cumulative and separate arc measurements were acquired with the ArcCheck and assessed using the SNC patient software with a 3%/3mm and 2%/2mm gamma analysis with global normalization and a 10% dose threshold. Correlations between data were determined using the Pearson Product-Moment Correlation. Results: For our cohort of patients, the measured doses were higher than calculated ranging from 2.2%–9.7% for the target and 1.0%–8.2% for the spinal cord. There was strong correlation between 3%/3mm and 2%/2mm passing rates (r=0.91). Moderate correlation was found between target and cord dose with a weak fit (r=0.67, R-Square=0.45). The cumulative ArcCheck measurements showed poor correlation with the measured point doses for both the target and cord (r=0.20, r=0.35). If the arcs are assessed separately with an acceptance criteria applied to the minimum passing rate between all arcs, a moderate negative correlation was found for the target and cord (r=−0.48, r= −0.71). The case with the highest dose difference (9.7%) received a passing rate of 97.2% for the cumulative arcs and 87.8% for the minimum with separate arcs. Conclusion: Our data suggest that traditional passing criteria using ArcCheck with cumulative measurements do not correlate well with dose errors. Separate arc analysis shows better correlation but may still miss large dose errors. Point dose verifications are recommended.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2024

Correlating transcription and protein expression profiles of immune biomarkers following lipopolysaccharide exposure in lung epithelial cells

Universal and early recognition of pathogens occurs through recognition of evolutionarily conserved pathogen associated molecular patterns (PAMPs) by innate immune receptors and the consequent secretion of cytokines and chemokines. The intrinsic complexity of innate immune signaling and associated signal transduction challenges our ability to obtain physiologically relevant, reproducible and accurate data from experimental systems. One of the reasons for the discrepancy in observed data is the choice of measurement strategy. Immune signaling is regulated by the interplay between pathogen-derived molecules with host cells resulting in cellular expression changes. However, these cellular processes are often studied by the independent assessment of either the transcriptome or the proteome. Correlation between transcription and protein analysis is lacking in a variety of studies. In order to methodically evaluate the correlation between transcription and protein expression profiles associated with innate immune signaling, we measured cytokine and chemokine levels following exposure of human cells to the PAMP lipopolysaccharide (LPS) from the Gram-negative pathogen Pseudomonas aeruginosa . Expression of 84 messenger RNA (mRNA) transcripts and 69 proteins, including 35 overlapping targets, were measured in human lung epithelial cells. We evaluated 50 biological replicates to determine reproducibility of outcomes. Following pairwise normalization, 16 mRNA transcripts and 6 proteins were significantly upregulated following LPS exposure, while only five (CCL2, CSF3, CXCL5, CXCL8/IL8, and IL6) were upregulated in both transcriptomic and proteomic analysis. This lack of correlation between transcription and protein expression data may contribute to the discrepancy in the immune profiles reported in various studies. The use of multiomic assessments to achieve a systems-level understanding of immune signaling processes can result in the identification of host biomarker profiles for a variety of infectious diseases and facilitate countermeasure design and development.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2012

Characterizing Tumor Heterogeneity With Functional Imaging and Quantifying High-Risk Tumor Volume for Early Prediction of Treatment Outcome: Cervical Cancer as a Model

Purpose: Treatment response in cancer has been monitored by measuring anatomic tumor volume (ATV) at various times without considering the inherent functional tumor heterogeneity known to critically influence ultimate treatment outcome: primary tumor control and survival. This study applied dynamic contrast-enhanced (DCE) functional MRI to characterize tumors' heterogeneous subregions with low DCE values, at risk for treatment failure, and to quantify the functional risk volume (FRV) for personalized early prediction of treatment outcome. Methods and Materials: DCE-MRI was performed in 102 stage IB{sub 2}-IVA cervical cancer patients to assess tumor perfusion heterogeneity before and during radiation/chemotherapy. FRV represents the total volume of tumor voxels with critically low DCE signal intensity (<2.1 compared with precontrast image, determined by previous receiver operator characteristic analysis). FRVs were correlated with treatment outcome (follow-up: 0.2-9.4, mean 6.8 years) and compared with ATVs (Mann-Whitney, Kaplan-Meier, and multivariate analyses). Results: Before and during therapy at 2-2.5 and 4-5 weeks of RT, FRVs >20, >13, and >5 cm{sup 3}, respectively, significantly predicted unfavorable 6-year primary tumor control (p = 0.003, 7.3 Multiplication-Sign 10{sup -8}, 2.0 Multiplication-Sign 10{sup -8}) and disease-specific survival (p = 1.9 Multiplication-Sign 10{sup -4}, 2.1 Multiplication-Sign 10{sup -6}, 2.5 Multiplication-Sign 10{sup -7}, respectively). The FRVs were superior to the ATVs as early predictors of outcome, and the differentiating power of FRVs increased during treatment. Discussion: Our preliminary results suggest that functional tumor heterogeneity can be characterized by DCE-MRI to quantify FRV for predicting ultimate long-term treatment outcome. FRV is a novel functional imaging heterogeneity parameter, superior to ATV, and can be clinically translated for personalized early outcome prediction before or as early as 2-5 weeks into treatment.

62 RADIOLOGY AND NUCLEAR MEDICINE↗