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At least 397 records · Page 22

Integrated laser ablation-dropletProbe-mass spectrometry for absolute drug quantitation, metabolite detection, and distribution in tissue

Rationale: Spatially resolved and accurate quantitation of drug-related compounds in tissue is a much-needed capability in drug discovery research. In this work, application of an integrated laser ablation-dropletProbe-mass spectrometry surface sampling system (LADP-MS) is reported, which achieved absolute quantitation of propranolol measured from <500 × 500 μm thin tissue samples. Methods: Mouse liver and kidney thin tissue sections were coated with parylene C and analyzed for propranolol by a laser ablation/liquid extraction workflow. Non-coated adjacent sections were microdissected for validation and processed using standard bulk tissue extraction protocols. High-performance liquid chromatography with positive ion mode electrospray ionization tandem mass spectrometry was applied to detect the drug and its metabolites. Results: Absolute propranolol concentration in ~500 × 500 μm tissue regions measured by the two methods agreed within ±8% and had a relative standard deviation within ±17%. Quantitation down to ~400 × 400 μm tissue regions was shown, and this resolution was also used for automated mapping of propranolol and phase II hydroxypropranolol glucuronide metabolites in kidney tissue. Conclusions: This study exemplifies the capabilities of integrated laser ablation-dropletProbe-mass spectrometry (LADP-MS) for high resolution absolute drug quantitation analysis of thin tissue sections. This capability will be valuable for applications needing to quantitatively understand the spatial distribution of small molecules in tissue.

47 OTHER INSTRUMENTATION↗

A database system to support image algorithm evaluation

The design is given of an interactive image database system IMDB, which allows the user to create, retrieve, store, display, and manipulate images through the facility of a high-level, interactive image query (IQ) language. The query language IQ permits the user to define false color functions, pixel value transformations, overlay functions, zoom functions, and windows. The user manipulates the images through generic functions. The user can direct images to display devices for visual and qualitative analysis. Image histograms and pixel value distributions can also be computed to obtain a quantitative analysis of images.

Lien, Y. E.↗

Thermal Analyzer for Planetary Soil (TAPS): an in Situ Instrument for Mineral and Volatile-element Measurements

Thermal Analyzer for Planetary Soil (TAPS) offers a specific implementation for the generic thermal analyzer/evolved-gas analyzer (TA/EGA) function included in the Mars Environmental Survey (MESUR) strawman payload; applications to asteroids and comets are also possible. The baseline TAPS is a single-sample differential scanning calorimeter (DSC), backed by a capacitive-polymer humidity sensor, with an integrated sampling mechanism. After placement on a planetary surface, TAPS acquires 10-50 mg of soil or sediment and heats the sample from ambient temperature to 1000-1300 K. During heating, DSC data are taken for the solid and evolved gases are swept past the water sensor. Through ground based data analysis, multicomponent DSC data are deconvolved and correlated with the water release profile to quantitatively determine the types and relative proportions of volatile-bearing minerals such as clays and other hydrates, carbonates, and nitrates. The rapid-response humidity sensors also achieve quantitative analysis of total water. After conclusion of soil-analysis operations, the humidity sensors become available for meteorology. The baseline design fits within a circular-cylindrical volume less than 1000 cm(sup 3), occupies 1.2 kg mass, and consumes about 2 Whr of power per analysis. Enhanced designs would acquire and analyze multiple samples and employ additional microchemical sensors for analysis of CO2, SO2, NO(x), and other gaseous species. Atmospheric pumps are also being considered as alternatives to pressurized purge gas.

Gooding, J. L.↗

Rapid Evaluation of Particle Properties using Inverse SEM Simulations

This report is the final deliverable of a 3 year project whose purpose was to investigate the possibility of using simulations of X-ray spectra generated inside a scanning electron microscope (SEM) as a means to perform quantitative analysis of the sample imaged in the SEM via an inverse analysis methodology. Using the nine point Technology Readiness Levels (TRL) typically used by the US Department of Defense (DOD) and the National Aeronautics and Space Administration (NASA), this concept is now at a TRL of 3. In other words, this work has proven the feasibility of this concept and is ready to be further investigated to address some of the issues highlighted by this initial proof of concept.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Fabrication of porous transport electrodes: Development of quantitative approach for quality control

This work focuses on porous transport electrodes (PTEs), which integrate the anodic catalyst with the adjacent Ti porous transport layer (PTL). Challenges in catalyst deposition on PTLs, particularly at low loadings, motivated this study to evaluate various fabrication methods and characterization approaches. This work investigated Pt-treated PTLs coated with Ir-based catalysts using several common methods, including airbrush coating, rod coating, ultrasonic spray coating, electrodeposition, and sputter deposition, with catalyst loadings ranging from 2.9 to 0.1 mg/cm 2 , providing the opportunity for comparisons across a large set of samples produced by different methods. Two widely accessible characterization techniques: X-ray computed tomography (XCT) and scanning electron microscopy energy dispersive X-ray spectroscopy (SEM-EDS) were explored. Initial evaluation of selected samples with XCT provided qualitative insights into catalyst distribution, however comprehensive quantitative analysis was limited. SEM-EDS enabled detailed information on the catalyst distribution both qualitatively and quantitatively using two metrics. Atomic and surface area % ratios of Pt:Ir and Ti:Ir revealed trends in catalyst loading and losses into the PTL pores, as well as evaluating the homogeneity of catalyst coatings. The analysis demonstrated that ultrasonic spray coating, electrodeposition, and sputter coating produced the most homogeneous coatings, with minimal catalyst losses observed for electrodeposition and sputter coating. By adapting common techniques with novel, standardized methodologies, this work establishes a universally applicable framework for cross-study comparison of PTEs. The SEM-EDS approach provides a practical, accessible tool for PTE characterization and contributes a reference dataset supporting both research development and rapid quality control.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Remote sensing and spectral analysis of plumes from ocean dumping in the New York Bight Apex

The application of the remote sensing techniques of aerial photography and multispectral scanning in the qualitative and quantitative analysis of plumes from ocean dumping of waste materials is investigated in the New York Bight Apex. Plumes resulting from the dumping of acid waste and sewage sludge were observed by Ocean Color Scanner at an altitude of 19.7 km and by Modular Multispectral Scanner and mapping camera at an altitude of 3.0 km. Results of the qualitative analysis of multispectral and photographic data for the mapping, location, and identification of pollution features without concurrent sea truth measurements are presented which demonstrate the usefulness of in-scene calibration. Quantitative distributions of the suspended solids in sewage sludge released in spot and line dumps are also determined by a multiple regression analysis of multispectral and sea truth data.

Johnson, R. W.↗

A deep learning model for automatic analysis of cavities in irradiated materials

Transmission electron microscopy (TEM) is a commonly used technique in materials science for defect investigation. Quantitative analysis of defects is important for understanding the properties of a material, but manual analysis of TEM micrographs can be time-consuming and prone to error, especially when the defects have irregular shapes rather than spherical shapes. Many existing methods or deep learning models do not handle a wide range of sizes for the same object type within a single image. In this work, we present a framework that enables users to train an instance segmentation model called Mask R- CNN on any microstructure dataset, perform multi-detection on the same image at different scales, and obtain properties (e.g., size, area) of the objects based on the desired shape (e.g., circle, ellipse, rectangle). Additionally, we have developed a parallel detection module that uses multiple GPUs to increase the efficiency of the object detection process. We demonstrate the capabilities of our framework using a set of TEM images of cavities with different shapes, size distributions, and background contrasts. Finally, we show that the performance of our model in terms of density, size, and swelling of the cavities is comparable to the human average and that our model achieves the highest recall value compared to existing methods due to the use of image multi-rescaling.

36 MATERIALS SCIENCE↗

Determination of the Absolute Number of Cytokine mRNA Molecules within Individual Activated Human T Cells

A primary function of activated T cells is the expression and subsequent secretion of cytokines, which orchestrate the differentiation of other lymphocytes, modulate antigen presenting cell activity, and alter vascular endothelium to mediate an immune response. Since many features of immune regulation probably result from modest alterations of endogenous rates of multiple interacting processes, quantitative analysis of the frequency and specific activity of individual T cells is critically important. Using a coordinated set of quantitative methods, the absolute number of molecules of several key cytokine mRNA species in individual T cells has been determined. The frequency of human blood T cells activated in vitro by mitogens and recall protein antigens was determined by intracellular cytokine protein staining, in situ hybridization for cytokine mRNA, and by limiting dilution analysis for cytokine mRNA+ cells. The absolute number of mRNA molecules was simultaneously determined in both homogenates of the entire population of cells and in individual cells obtained by limiting dilution, using a quantitative, competitive RT-PCR assay. The absolute numbers of mRNA molecules in a population of cells divided by the frequency of individual positive cells, yielded essentially the same number of mRNA molecules per cell as direct analysis of individual cells by limiting dilution analysis. Mean numbers of mRNA per positive cell from both mitogen and antigen activated T cells, using these stimulation conditions, were 6000 for IL-2, 6300 for IFN-gamma, and 1600 for IL-4.

Karr, Laurel J.↗

Visual scanning behavior

This report summarizes the results and knowledge of scan behavior gained in various simulation and laboratory studies. Results were obtained through various analysis techniques such as real-time viewing of the pilot's scanning behavior and quantitative analysis of scan behavior performance parameters (average dwell time, dwell percentages, instrument transition paths, dwell histograms, and entropy rate measures). Pilot scan behavior is discussed in the following areas; scanning is a subconscious conditioned activity, scanning is situation dependent, pilots' scanning pattern is centered around a home base. Scanning behavior data have been shown to be useful in determining pilot's workload, evaluating pilot's strategy and role, determining the rate of information transfer of various displays, and aiding in pilot training.

Harris, R. L., Sr.↗

Visual scanning behavior

This report summarizes the results and knowledge of scan behavior gained in various simulation and laboratory studies. Results were obtained through various analysis techniques such as real-time viewing of the pilot's scanning behavior and quantitative analysis of scan behavior performance parameters (average dwell time, dwell percentages, instrument transition paths, dwell percentages, instrument transition paths, dwell histograms, and entropy rate measures). Pilot scan behavior is discussed in the following areas; scanning is a subconscious conditioned activity, scanning is situation dependent, pilots' scanning pattern is centered around a home base. Scanning behavior data nave been shown to be useful in determining pilot's workload, evaluating pilot's strategy and role, determining the rate of information transfer of various displays, and aiding in pilot training.

Harris, R. L., Sr.↗

Generational Analysis Reveals that TGF-Beta1 Inhibits the Rate of Angiogenesis in Vivo by Selective Decrease in the Number of New Vessels

Quantitative analysis of vascular generational branching demonstrated that transforming growth factor-beta1 (TGF-beta1), a multifunctional cytokine and angiogenic regulator, strongly inhibited angiogenesis in the arterial tree of the developing quail chorioallantoic membrane (CAM) by inhibition of the normal increase in the number of new, small vessels. The cytokine was applied uniformly in solution at embryonic day 7 (E7) to the CAMs of quail embryos cultured in petri dishes. After 24 h the rate of arterial growth was inhibited by as much as 105% as a function of increasing TGF-beta1 concentration. Inhibition of the rate of angiogenesis in the arterial tree by TGF-beta1 relative to controls was measured in digital images by three well-correlated, computerized methods. The first computerized method, direct measurement by the computer code VESGEN of vascular morphological parameters according to branching generations G(sub 1) through G(sub greater than or equal to 5), revealed that TGF-beta1 selectively inhibited the increase in the number density of small vessels, N(sub v greater than or equal to 5), (382 plus or minus 85 per square centimeter) for specimens treated with 1 microgram TGF-beta1/CAM for 24 h, compared to 583 plus or minus 99 per square centimeter for controls), but did not significantly affect other parameters such as average vessel length or vessel diameter. The second and third methods, the fractal dimension (D(sub f)) and grid intersection (rho (sub v)), are statistical descriptors of spatial pattern and density. According to D(sub f) and rho(sub v), arterial density increased in control specimens from 1.382 plus or minus 0.007 and 662 plus or minus 52 per square centimeters at E7 (0 h) to 1.439 plus or minus 0.013 and 884 plus or minus 55 per square centimeters at E8 (24 h), compared to 1.379 plus or minus 0.039 and 650 plus or minus 111 per square centimeter for specimens treated with 1 microgram TGF-beta1/CAM for 24 h. TGF-beta1 therefore regulates vascular pattern and the rate of angiogenesis in a unique fingerprint manner, as do other major angiogenic regulators that include VEGF, FGF-2 (bFGF), and angiostatin. TGF-beta1 did not stimulate angiogenesis significantly at low cytokine concentrations, which suggests that this quail CAM model of angiogenesis is not associated with an inflammatory response.

Parsons-Wingerter, Patricia↗

Analytical methods for toxic gases from thermal degradation of polymers

Toxic gases evolved from the thermal oxidative degradation of synthetic or natural polymers in small laboratory chambers or in large scale fire tests are measured by several different analytical methods. Gas detector tubes are used for fast on-site detection of suspect toxic gases. The infrared spectroscopic method is an excellent qualitative and quantitative analysis for some toxic gases. Permanent gases such as carbon monoxide, carbon dioxide, methane and ethylene, can be quantitatively determined by gas chromatography. Highly toxic and corrosive gases such as nitrogen oxides, hydrogen cyanide, hydrogen fluoride, hydrogen chloride and sulfur dioxide should be passed into a scrubbing solution for subsequent analysis by either specific ion electrodes or spectrophotometric methods. Low-concentration toxic organic vapors can be concentrated in a cold trap and then analyzed by gas chromatography and mass spectrometry. The limitations of different methods are discussed.

Hsu, M.-T. S.↗

Machine-learning-assisted analysis of transition metal dichalcogenide thin-film growth

In situ reflective high-energy electron diffraction (RHEED) is widely used to monitor the surface crystalline state during thin-film growth by molecular beam epitaxy (MBE) and pulsed laser deposition. With the recent development of machine learning (ML), ML-assisted analysis of RHEED videos aids in interpreting the complete RHEED data of oxide thin films. The quantitative analysis of RHEED data allows us to characterize and categorize the growth modes step by step, and extract hidden knowledge of the epitaxial film growth process. In this study, we employed the ML-assisted RHEED analysis method to investigate the growth of 2D thin films of transition metal dichalcogenides (ReSe2) on graphene substrates by MBE. Principal component analysis (PCA) and K-means clustering were used to separate statistically important patterns and visualize the trend of pattern evolution without any notable loss of information. Using the modified PCA, we could monitor the diffraction intensity of solely the ReSe2 layers by filtering out the substrate contribution. These findings demonstrate that ML analysis can be successfully employed to examine and understand the film-growth dynamics of 2D materials. Further, the ML-based method can pave the way for the development of advanced real-time monitoring and autonomous material synthesis techniques.

36 MATERIALS SCIENCE↗

Dynamical Theory of X-Ray Diffraction for Restricted Beams: III. Analysis of Experimental Data for a Porous Crystal

Using the dynamical theory of X-ray diffraction for restricted beams, we have performed quantitative analysis of the structure of an InP(001) porous crystal layer on the basis of experimental data obtained by high-resolution X-ray diffractometry. The parameters of the porous crystal have been determined by simulating coherent and diffuse scattering. The influence of the instrumental function and dynamical effects on the results of investigation has been demonstrated.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Clogging of Manifolds with Evaporatively Frozen Propellants: Analysis - Part 2

The mechanisms of evaporative freezing of leaking propellant and the creation of flow stoppages within injector manifolds is discussed. A quantitative analysis of the conditions, including the existence of minimum and maximum leak rates, for the accumulation of evaporatively frozen propellant is presented. Clogging of the injector manifolds of the Apollo SPS and the Gemini OAMS engines by the freezing of leaking propellant is predicted and the seriousness of the consequences are discussed. Based on the analysis a realistic evaluation of selected techniques to eliminate flow stoppages by frozen propellant is made.

Simmon, J. A.↗

Role of Solvent Rearrangement on Mg2+ Solvation Structures in Dimethoxyethane Solutions Using Multimodal NMR Analysis

One of the main impediments faced for predicting important emergent properties of a multivalent electrolyte (such as conductivity and electrochemical stability) is the lack of quantitative analysis of ion-ion and ion-solvent interactions, which manifest in solvation structures and dynamics. In particular, the role of ion-solvent interactions is still unclear in cases where the strong electric field from multivalent cations can influence structural evolution of lower permittivity organic solvent molecules on solvation structure. These influences are commonly refered to as electrostriction pheonmena. Using quantitative 1H, 19F, 17O, and 25Mg NMR together with 19F nuclear spin relaxation and diffusion measurments, we find an unusual correlation between ion concentration and solvation structure of Mg(TFSI)2 salt in dimethoxyethane (DME) solution. The domiant solvation structure evolves from contact ion pairs (i.e. [Mg(TFSI)(DME)1-2]+) to fully solvated clusters (i.e. [Mg(DME)3]2+) as salt concentration increases or as temperature decreases. This transition is coupled to a phase separation, which we study here between 0.06 M and 0.36 M. Subsequent analysis is based on an explanation of the electrostriction phenomena and the competion between solvent molecules and TFSI anions for cation coordination.

Chen, Ying↗

Measurement of Transport Properties of Woody Biomass Feedstock Particles Before and After Pyrolysis by Numerical Analysis of X-Ray Tomographic Reconstructions

Lignocellulosic biomass has a complex, species-specific microstructure that governs heat and mass transport during conversion processes. A quantitative understanding of the evolution of pore size and structure is critical to optimize conversion processes for biofuel and bio-based chemical production. Further, improving our understanding of the microstructure of biochar coproduct will accelerate development of its myriad applications. This work quantitatively compares the microstructural features and the anisotropic permeabilities of two woody feedstocks, red oak and Douglas fir, using X-ray computed tomography (XCT) before and after the feedstocks are subjected to pyrolysis. Quantitative analysis of the three-dimensional (3D) reconstructions allows for direct calculations of void fractions, pore size distributions and tortuosity factors. Next, 3D images are imported into an immersed boundary based finite volume solver to simulate gas flow through the porous structure and to directly calculate the principal permeabilities along longitudinal, radial, and tangential directions. The permeabilities of native biomass are seen to differ by three to four orders of magnitude in the different principal directions, but we find that this anisotropy is substantially reduced in the biochar formed during pyrolysis. The quantitative transport properties reported here enhance the ability of pyrolysis simulations to account for feedstock-specific effects and thereby provide a useful touchstone for the biorefining community.

09 BIOMASS FUELS↗

Modeling and Analysis of Space Based Transceivers

This paper presents the tool chain, methodology, and initial results of a study to provide a thorough, objective, and quantitative analysis of the design alternatives for space Software Defined Radio (SDR) transceivers. The approach taken was to develop a set of models and tools for describing communications requirements, the algorithm resource requirements, the available hardware, and the alternative software architectures, and generate analysis data necessary to compare alternative designs. The Space Transceiver Analysis Tool (STAT) was developed to help users identify and select representative designs, calculate the analysis data, and perform a comparative analysis of the representative designs. The tool allows the design space to be searched quickly while permitting incremental refinement in regions of higher payoff.

Reinhart, Richard C.↗