Quantitative method to assess caries via fluorescence imaging from the perspective of autofluorescence spectral analysis

NASA Astrophysics Data System (ADS)

Chen, Q. G.; Zhu, H. H.; Xu, Y.; Lin, B.; Chen, H.

2015-08-01

A quantitative method to discriminate caries lesions for a fluorescence imaging system is proposed in this paper. The autofluorescence spectral investigation of 39 teeth samples classified by the International Caries Detection and Assessment System levels was performed at 405 nm excitation. The major differences in the different caries lesions focused on the relative spectral intensity range of 565-750 nm. The spectral parameter, defined as the ratio of wavebands at 565-750 nm to the whole spectral range, was calculated. The image component ratio R/(G + B) of color components was statistically computed by considering the spectral parameters (e.g. autofluorescence, optical filter, and spectral sensitivity) in our fluorescence color imaging system. Results showed that the spectral parameter and image component ratio presented a linear relation. Therefore, the image component ratio was graded as <0.66, 0.66-1.06, 1.06-1.62, and >1.62 to quantitatively classify sound, early decay, established decay, and severe decay tissues, respectively. Finally, the fluorescence images of caries were experimentally obtained, and the corresponding image component ratio distribution was compared with the classification result. A method to determine the numerical grades of caries using a fluorescence imaging system was proposed. This method can be applied to similar imaging systems.

Quantitative Analysis of Spectral Interference of Spontaneous Raman Scattering in High-Pressure Fuel-Rich H2-Air Combustion

NASA Technical Reports Server (NTRS)

Kojima, Jun; Nguyen, Quang-Viet

2004-01-01

We present a theoretical study of the spectral interferences in the spontaneous Raman scattering spectra of major combustion products in 30-atm fuel-rich hydrogen-air flames. An effective methodology is introduced to choose an appropriate line-shape model for simulating Raman spectra in high-pressure combustion environments. The Voigt profile with the additive approximation assumption was found to provide a reasonable model of the spectral line shape for the present analysis. The rotational/vibrational Raman spectra of H2, N2, and H2O were calculated using an anharmonic-oscillator model using the latest collisional broadening coefficients. The calculated spectra were validated with data obtained in a 10-atm fuel-rich H2-air flame and showed excellent agreement. Our quantitative spectral analysis for equivalence ratios ranging from 1.5 to 5.0 revealed substantial amounts of spectral cross-talk between the rotational H2 lines and the N2 O-/Q-branch; and between the vibrational H2O(0,3) line and the vibrational H2O spectrum. We also address the temperature dependence of the spectral cross-talk and extend our analysis to include a cross-talk compensation technique that removes the nterference arising from the H2 Raman spectra onto the N2, or H2O spectra.

Passive Fourier-transform infrared spectroscopy of chemical plumes: an algorithm for quantitative interpretation and real-time background removal

NASA Astrophysics Data System (ADS)

Polak, Mark L.; Hall, Jeffrey L.; Herr, Kenneth C.

1995-08-01

We present a ratioing algorithm for quantitative analysis of the passive Fourier-transform infrared spectrum of a chemical plume. We show that the transmission of a near-field plume is given by tau plume = (Lobsd - Lbb-plume)/(Lbkgd - Lbb-plume), where tau _{plume is the frequency-dependent transmission of the plume, L obsd is the spectral radiance of the scene that contains the plume, Lbkgd is the spectral radiance of the same scene without the plume, and Lbb-plume is the spectral radiance of a blackbody at the plume temperature. The algorithm simultaneously achieves background removal, elimination of the spectrometer internal signature, and quantification of the plume spectral transmission. It has applications to both real-time processing for plume visualization and quantitative measurements of plume column densities. The plume temperature (Lbb-plume ), which is not always precisely known, can have a profound effect on the quantitative interpretation of the algorithm and is discussed in detail. Finally, we provide an illustrative example of the use of the algorithm on a trichloroethylene and acetone plume.}

Predictive value of EEG in postanoxic encephalopathy: A quantitative model-based approach.

PubMed

Efthymiou, Evdokia; Renzel, Roland; Baumann, Christian R; Poryazova, Rositsa; Imbach, Lukas L

2017-10-01

The majority of comatose patients after cardiac arrest do not regain consciousness due to severe postanoxic encephalopathy. Early and accurate outcome prediction is therefore essential in determining further therapeutic interventions. The electroencephalogram is a standardized and commonly available tool used to estimate prognosis in postanoxic patients. The identification of pathological EEG patterns with poor prognosis relies however primarily on visual EEG scoring by experts. We introduced a model-based approach of EEG analysis (state space model) that allows for an objective and quantitative description of spectral EEG variability. We retrospectively analyzed standard EEG recordings in 83 comatose patients after cardiac arrest between 2005 and 2013 in the intensive care unit of the University Hospital Zürich. Neurological outcome was assessed one month after cardiac arrest using the Cerebral Performance Category. For a dynamic and quantitative EEG analysis, we implemented a model-based approach (state space analysis) to quantify EEG background variability independent from visual scoring of EEG epochs. Spectral variability was compared between groups and correlated with clinical outcome parameters and visual EEG patterns. Quantitative assessment of spectral EEG variability (state space velocity) revealed significant differences between patients with poor and good outcome after cardiac arrest: Lower mean velocity in temporal electrodes (T4 and T5) was significantly associated with poor prognostic outcome (p<0.005) and correlated with independently identified visual EEG patterns such as generalized periodic discharges (p<0.02). Receiver operating characteristic (ROC) analysis confirmed the predictive value of lower state space velocity for poor clinical outcome after cardiac arrest (AUC 80.8, 70% sensitivity, 15% false positive rate). Model-based quantitative EEG analysis (state space analysis) provides a novel, complementary marker for prognosis in postanoxic encephalopathy. Copyright © 2017 Elsevier B.V. All rights reserved.

Plant leaf chlorophyll content retrieval based on a field imaging spectroscopy system.

PubMed

Liu, Bo; Yue, Yue-Min; Li, Ru; Shen, Wen-Jing; Wang, Ke-Lin

2014-10-23

A field imaging spectrometer system (FISS; 380-870 nm and 344 bands) was designed for agriculture applications. In this study, FISS was used to gather spectral information from soybean leaves. The chlorophyll content was retrieved using a multiple linear regression (MLR), partial least squares (PLS) regression and support vector machine (SVM) regression. Our objective was to verify the performance of FISS in a quantitative spectral analysis through the estimation of chlorophyll content and to determine a proper quantitative spectral analysis method for processing FISS data. The results revealed that the derivative reflectance was a more sensitive indicator of chlorophyll content and could extract content information more efficiently than the spectral reflectance, which is more significant for FISS data compared to ASD (analytical spectral devices) data, reducing the corresponding RMSE (root mean squared error) by 3.3%-35.6%. Compared with the spectral features, the regression methods had smaller effects on the retrieval accuracy. A multivariate linear model could be the ideal model to retrieve chlorophyll information with a small number of significant wavelengths used. The smallest RMSE of the chlorophyll content retrieved using FISS data was 0.201 mg/g, a relative reduction of more than 30% compared with the RMSE based on a non-imaging ASD spectrometer, which represents a high estimation accuracy compared with the mean chlorophyll content of the sampled leaves (4.05 mg/g). Our study indicates that FISS could obtain both spectral and spatial detailed information of high quality. Its image-spectrum-in-one merit promotes the good performance of FISS in quantitative spectral analyses, and it can potentially be widely used in the agricultural sector.

Plant Leaf Chlorophyll Content Retrieval Based on a Field Imaging Spectroscopy System

PubMed Central

Liu, Bo; Yue, Yue-Min; Li, Ru; Shen, Wen-Jing; Wang, Ke-Lin

2014-01-01

A field imaging spectrometer system (FISS; 380–870 nm and 344 bands) was designed for agriculture applications. In this study, FISS was used to gather spectral information from soybean leaves. The chlorophyll content was retrieved using a multiple linear regression (MLR), partial least squares (PLS) regression and support vector machine (SVM) regression. Our objective was to verify the performance of FISS in a quantitative spectral analysis through the estimation of chlorophyll content and to determine a proper quantitative spectral analysis method for processing FISS data. The results revealed that the derivative reflectance was a more sensitive indicator of chlorophyll content and could extract content information more efficiently than the spectral reflectance, which is more significant for FISS data compared to ASD (analytical spectral devices) data, reducing the corresponding RMSE (root mean squared error) by 3.3%–35.6%. Compared with the spectral features, the regression methods had smaller effects on the retrieval accuracy. A multivariate linear model could be the ideal model to retrieve chlorophyll information with a small number of significant wavelengths used. The smallest RMSE of the chlorophyll content retrieved using FISS data was 0.201 mg/g, a relative reduction of more than 30% compared with the RMSE based on a non-imaging ASD spectrometer, which represents a high estimation accuracy compared with the mean chlorophyll content of the sampled leaves (4.05 mg/g). Our study indicates that FISS could obtain both spectral and spatial detailed information of high quality. Its image-spectrum-in-one merit promotes the good performance of FISS in quantitative spectral analyses, and it can potentially be widely used in the agricultural sector. PMID:25341439

[Variable selection methods combined with local linear embedding theory used for optimization of near infrared spectral quantitative models].

PubMed

Hao, Yong; Sun, Xu-Dong; Yang, Qiang

2012-12-01

Variables selection strategy combined with local linear embedding (LLE) was introduced for the analysis of complex samples by using near infrared spectroscopy (NIRS). Three methods include Monte Carlo uninformation variable elimination (MCUVE), successive projections algorithm (SPA) and MCUVE connected with SPA were used for eliminating redundancy spectral variables. Partial least squares regression (PLSR) and LLE-PLSR were used for modeling complex samples. The results shown that MCUVE can both extract effective informative variables and improve the precision of models. Compared with PLSR models, LLE-PLSR models can achieve more accurate analysis results. MCUVE combined with LLE-PLSR is an effective modeling method for NIRS quantitative analysis.

Spectral and Temporal Laser Fluorescence Analysis Such as for Natural Aquatic Environments

NASA Technical Reports Server (NTRS)

Chekalyuk, Alexander (Inventor)

2015-01-01

An Advanced Laser Fluorometer (ALF) can combine spectrally and temporally resolved measurements of laser-stimulated emission (LSE) for characterization of dissolved and particulate matter, including fluorescence constituents, in liquids. Spectral deconvolution (SDC) analysis of LSE spectral measurements can accurately retrieve information about individual fluorescent bands, such as can be attributed to chlorophyll-a (Chl-a), phycobiliprotein (PBP) pigments, or chromophoric dissolved organic matter (CDOM), among others. Improved physiological assessments of photosynthesizing organisms can use SDC analysis and temporal LSE measurements to assess variable fluorescence corrected for SDC-retrieved background fluorescence. Fluorescence assessments of Chl-a concentration based on LSE spectral measurements can be improved using photo-physiological information from temporal measurements. Quantitative assessments of PBP pigments, CDOM, and other fluorescent constituents, as well as basic structural characterizations of photosynthesizing populations, can be performed using SDC analysis of LSE spectral measurements.

QEEG Spectral and Coherence Assessment of Autistic Children in Three Different Experimental Conditions

ERIC Educational Resources Information Center

Machado, Calixto; Estévez, Mario; Leisman, Gerry; Melillo, Robert; Rodríguez, Rafael; DeFina, Phillip; Hernández, Adrián; Pérez-Nellar, Jesús; Naranjo, Rolando; Chinchilla, Mauricio; Garófalo, Nicolás; Vargas, José; Beltrán, Carlos

2015-01-01

We studied autistics by quantitative EEG spectral and coherence analysis during three experimental conditions: basal, watching a cartoon with audio (V-A), and with muted audio band (VwA). Significant reductions were found for the absolute power spectral density (PSD) in the central region for delta and theta, and in the posterior region for sigma…

Spectral imaging of histological and cytological specimens

NASA Astrophysics Data System (ADS)

Rothmann, Chana; Malik, Zvi

1999-05-01

Evaluation of cell morphology by bright field microscopy is the pillar of histopathological diagnosis. The need for quantitative and objective parameters for diagnosis has given rise to the development of morphometric methods. The development of spectral imaging for biological and medical applications introduced both fields to large amounts of information extracted from a single image. Spectroscopic analysis is based on the ability of a stained histological specimen to absorb, reflect, or emit photons in ways characteristic to its interactions with specific dyes. Spectral information obtained from a histological specimen is stored in a cube whose appellate signifies the two spatial dimensions of a flat sample (x and y) and the third dimension, the spectrum, representing the light intensity for every wavelength. The spectral information stored in the cube can be further processed by morphometric analysis and quantitative procedures. Such a procedure is spectral-similarity mapping (SSM), which enables the demarcation of areas occupied by the same type of material. SSM constructs new images of the specimen, revealing areas with similar stain-macromolecule characteristics and enhancing subcellular features. Spectral imaging combined with SSM reveals nuclear organization through the differentiation stages as well as in apoptotic and necrotic conditions and identifies specifically the nucleoli domains.

Methodology for diagnosing of skin cancer on images of dermatologic spots by spectral analysis.

PubMed

Guerra-Rosas, Esperanza; Álvarez-Borrego, Josué

2015-10-01

In this paper a new methodology for the diagnosing of skin cancer on images of dermatologic spots using image processing is presented. Currently skin cancer is one of the most frequent diseases in humans. This methodology is based on Fourier spectral analysis by using filters such as the classic, inverse and k-law nonlinear. The sample images were obtained by a medical specialist and a new spectral technique is developed to obtain a quantitative measurement of the complex pattern found in cancerous skin spots. Finally a spectral index is calculated to obtain a range of spectral indices defined for skin cancer. Our results show a confidence level of 95.4%.

Methodology for diagnosing of skin cancer on images of dermatologic spots by spectral analysis

PubMed Central

Guerra-Rosas, Esperanza; Álvarez-Borrego, Josué

2015-01-01

In this paper a new methodology for the diagnosing of skin cancer on images of dermatologic spots using image processing is presented. Currently skin cancer is one of the most frequent diseases in humans. This methodology is based on Fourier spectral analysis by using filters such as the classic, inverse and k-law nonlinear. The sample images were obtained by a medical specialist and a new spectral technique is developed to obtain a quantitative measurement of the complex pattern found in cancerous skin spots. Finally a spectral index is calculated to obtain a range of spectral indices defined for skin cancer. Our results show a confidence level of 95.4%. PMID:26504638

The Spectral Image Processing System (SIPS) - Interactive visualization and analysis of imaging spectrometer data

NASA Technical Reports Server (NTRS)

Kruse, F. A.; Lefkoff, A. B.; Boardman, J. W.; Heidebrecht, K. B.; Shapiro, A. T.; Barloon, P. J.; Goetz, A. F. H.

1993-01-01

The Center for the Study of Earth from Space (CSES) at the University of Colorado, Boulder, has developed a prototype interactive software system called the Spectral Image Processing System (SIPS) using IDL (the Interactive Data Language) on UNIX-based workstations. SIPS is designed to take advantage of the combination of high spectral resolution and spatial data presentation unique to imaging spectrometers. It streamlines analysis of these data by allowing scientists to rapidly interact with entire datasets. SIPS provides visualization tools for rapid exploratory analysis and numerical tools for quantitative modeling. The user interface is X-Windows-based, user friendly, and provides 'point and click' operation. SIPS is being used for multidisciplinary research concentrating on use of physically based analysis methods to enhance scientific results from imaging spectrometer data. The objective of this continuing effort is to develop operational techniques for quantitative analysis of imaging spectrometer data and to make them available to the scientific community prior to the launch of imaging spectrometer satellite systems such as the Earth Observing System (EOS) High Resolution Imaging Spectrometer (HIRIS).

WE-FG-207B-12: Quantitative Evaluation of a Spectral CT Scanner in a Phantom Study: Results of Spectral Reconstructions

DOE Office of Scientific and Technical Information (OSTI.GOV)

Duan, X; Arbique, G; Guild, J

Purpose: To evaluate the quantitative image quality of spectral reconstructions of phantom data from a spectral CT scanner. Methods: The spectral CT scanner (IQon Spectral CT, Philips Healthcare) is equipped with a dual-layer detector and generates conventional 80-140 kVp images and variety of spectral reconstructions, e.g., virtual monochromatic (VM) images, virtual non-contrast (VNC) images, iodine maps, and effective atomic number (Z) images. A cylindrical solid water phantom (Gammex 472, 33 cm diameter and 5 cm thick) with iodine (2.0-20.0 mg I/ml) and calcium (50-600 mg/ml) rod inserts was scanned at 120 kVp and 27 mGy CTDIvol. Spectral reconstructions were evaluatedmore » by comparing image measurements with theoretical values calculated from nominal rod compositions provided by the phantom manufacturer. The theoretical VNC was calculated using water and iodine basis material decomposition, and the theoretical Z was calculated using two common methods, the chemical formula method (Z1) and the dual-energy ratio method (Z2). Results: Beam-hardening-like artifacts between high-attenuation calcium rods (≥300 mg/ml, >800 HU) influenced quantitative measurements, so the quantitative analysis was only performed on iodine rods using the images from the scan with all the calcium rods removed. The CT numbers of the iodine rods in the VM images (50∼150 keV) were close to theoretical values with average difference of 2.4±6.9 HU. Compared with theoretical values, the average difference for iodine concentration, VNC CT number and effective Z of iodine rods were −0.10±0.38 mg/ml, −0.1±8.2 HU, 0.25±0.06 (Z1) and −0.23±0.07 (Z2). Conclusion: The results indicate that the spectral CT scanner generates quantitatively accurate spectral reconstructions at clinically relevant iodine concentrations. Beam-hardening-like artifacts still exist when high-attenuation objects are present and their impact on patient images needs further investigation. YY is an employee of Philips Healthcare.« less

Effect of genetic algorithm as a variable selection method on different chemometric models applied for the analysis of binary mixture of amoxicillin and flucloxacillin: A comparative study

NASA Astrophysics Data System (ADS)

Attia, Khalid A. M.; Nassar, Mohammed W. I.; El-Zeiny, Mohamed B.; Serag, Ahmed

2016-03-01

Different chemometric models were applied for the quantitative analysis of amoxicillin (AMX), and flucloxacillin (FLX) in their binary mixtures, namely, partial least squares (PLS), spectral residual augmented classical least squares (SRACLS), concentration residual augmented classical least squares (CRACLS) and artificial neural networks (ANNs). All methods were applied with and without variable selection procedure (genetic algorithm GA). The methods were used for the quantitative analysis of the drugs in laboratory prepared mixtures and real market sample via handling the UV spectral data. Robust and simpler models were obtained by applying GA. The proposed methods were found to be rapid, simple and required no preliminary separation steps.

Global spectral graph wavelet signature for surface analysis of carpal bones

NASA Astrophysics Data System (ADS)

Masoumi, Majid; Rezaei, Mahsa; Ben Hamza, A.

2018-02-01

Quantitative shape comparison is a fundamental problem in computer vision, geometry processing and medical imaging. In this paper, we present a spectral graph wavelet approach for shape analysis of carpal bones of the human wrist. We employ spectral graph wavelets to represent the cortical surface of a carpal bone via the spectral geometric analysis of the Laplace-Beltrami operator in the discrete domain. We propose global spectral graph wavelet (GSGW) descriptor that is isometric invariant, efficient to compute, and combines the advantages of both low-pass and band-pass filters. We perform experiments on shapes of the carpal bones of ten women and ten men from a publicly-available database of wrist bones. Using one-way multivariate analysis of variance (MANOVA) and permutation testing, we show through extensive experiments that the proposed GSGW framework gives a much better performance compared to the global point signature embedding approach for comparing shapes of the carpal bones across populations.

Global spectral graph wavelet signature for surface analysis of carpal bones.

PubMed

Masoumi, Majid; Rezaei, Mahsa; Ben Hamza, A

2018-02-05

Quantitative shape comparison is a fundamental problem in computer vision, geometry processing and medical imaging. In this paper, we present a spectral graph wavelet approach for shape analysis of carpal bones of the human wrist. We employ spectral graph wavelets to represent the cortical surface of a carpal bone via the spectral geometric analysis of the Laplace-Beltrami operator in the discrete domain. We propose global spectral graph wavelet (GSGW) descriptor that is isometric invariant, efficient to compute, and combines the advantages of both low-pass and band-pass filters. We perform experiments on shapes of the carpal bones of ten women and ten men from a publicly-available database of wrist bones. Using one-way multivariate analysis of variance (MANOVA) and permutation testing, we show through extensive experiments that the proposed GSGW framework gives a much better performance compared to the global point signature embedding approach for comparing shapes of the carpal bones across populations.

Preliminary Geologic/spectral Analysis of LANDSAT-4 Thematic Mapper Data, Wind River/bighorn Basin Area, Wyoming

NASA Technical Reports Server (NTRS)

Lang, H. R.; Conel, J. E.; Paylor, E. D.

1984-01-01

A LIDQA evaluation for geologic applications of a LANDSAT TM scene covering the Wind River/Bighorn Basin area, Wyoming, is examined. This involves a quantitative assessment of data quality including spatial and spectral characteristics. Analysis is concentrated on the 6 visible, near infrared, and short wavelength infrared bands. Preliminary analysis demonstrates that: (1) principal component images derived from the correlation matrix provide the most useful geologic information. To extract surface spectral reflectance, the TM radiance data must be calibrated. Scatterplots demonstrate that TM data can be calibrated and sensor response is essentially linear. Low instrumental offset and gain settings result in spectral data that do not utilize the full dynamic range of the TM system.

Quantitative Hyperspectral Reflectance Imaging

PubMed Central

Klein, Marvin E.; Aalderink, Bernard J.; Padoan, Roberto; de Bruin, Gerrit; Steemers, Ted A.G.

2008-01-01

Hyperspectral imaging is a non-destructive optical analysis technique that can for instance be used to obtain information from cultural heritage objects unavailable with conventional colour or multi-spectral photography. This technique can be used to distinguish and recognize materials, to enhance the visibility of faint or obscured features, to detect signs of degradation and study the effect of environmental conditions on the object. We describe the basic concept, working principles, construction and performance of a laboratory instrument specifically developed for the analysis of historical documents. The instrument measures calibrated spectral reflectance images at 70 wavelengths ranging from 365 to 1100 nm (near-ultraviolet, visible and near-infrared). By using a wavelength tunable narrow-bandwidth light-source, the light energy used to illuminate the measured object is minimal, so that any light-induced degradation can be excluded. Basic analysis of the hyperspectral data includes a qualitative comparison of the spectral images and the extraction of quantitative data such as mean spectral reflectance curves and statistical information from user-defined regions-of-interest. More sophisticated mathematical feature extraction and classification techniques can be used to map areas on the document, where different types of ink had been applied or where one ink shows various degrees of degradation. The developed quantitative hyperspectral imager is currently in use by the Nationaal Archief (National Archives of The Netherlands) to study degradation effects of artificial samples and original documents, exposed in their permanent exhibition area or stored in their deposit rooms. PMID:27873831

Use of near infrared correlation spectroscopy for quantitation of surface iron, absorbed water and stored electronic energy in a suite of Mars soil analog materials

NASA Technical Reports Server (NTRS)

Coyne, Lelia M.; Banin, Amos; Carle, Glenn; Orenberg, James; Scattergood, Thomas

1989-01-01

A number of questions concerning the surface mineralogy and the history of water on Mars remain unresolved using the Viking analyses and Earth-based telescopic data. Identification and quantitation of iron-bearing clays on Mars would elucidate these outstanding issues. Near infrared correlation analysis, a method typically applied to qualitative and quantitative analysis of individual constituents of multicomponent mixtures, is adapted here to selection of distinctive features of a small, highly homologous series of Fe/Ca-exchanged montmorillonites and several kalinites. Independently determined measures of surface iron, relative humidity and stored electronic energy were used as constituent data for linear regression of the constituent vs. reflectance data throughout the spectral region 0.68 to 2.5 micrometers. High correlations were found in appropriate regions for all three constituents, though that with stored energy is still considered tenuous. Quantitation was improved using 1st and 2nd derivative spectra. High resolution data over a broad spectral range would be required to quantitatively identify iron-bearing clays by remotely sensed reflectance.

Control of separation and quantitative analysis by GC-FTIR

NASA Astrophysics Data System (ADS)

Semmoud, A.; Huvenne, Jean P.; Legrand, P.

1992-03-01

Software for 3-D representations of the 'Absorbance-Wavenumber-Retention time' is used to control the quality of the GC separation. Spectral information given by the FTIR detection allows the user to be sure that a chromatographic peak is 'pure.' The analysis of peppermint essential oil is presented as an example. This assurance is absolutely required for quantitative applications. In these conditions, we have worked out a quantitative analysis of caffeine. Correlation coefficients between integrated absorbance measurements and concentration of caffeine are discussed at two steps of the data treatment.

Principles, performance, and applications of spectral reconstitution (SR) in quantitative analysis of oils by Fourier transform infrared spectroscopy (FT-IR).

PubMed

García-González, Diego L; Sedman, Jacqueline; van de Voort, Frederik R

2013-04-01

Spectral reconstitution (SR) is a dilution technique developed to facilitate the rapid, automated, and quantitative analysis of viscous oil samples by Fourier transform infrared spectroscopy (FT-IR). This technique involves determining the dilution factor through measurement of an absorption band of a suitable spectral marker added to the diluent, and then spectrally removing the diluent from the sample and multiplying the resulting spectrum to compensate for the effect of dilution on the band intensities. The facsimile spectrum of the neat oil thus obtained can then be qualitatively or quantitatively analyzed for the parameter(s) of interest. The quantitative performance of the SR technique was examined with two transition-metal carbonyl complexes as spectral markers, chromium hexacarbonyl and methylcyclopentadienyl manganese tricarbonyl. The estimation of the volume fraction (VF) of the diluent in a model system, consisting of canola oil diluted to various extents with odorless mineral spirits, served as the basis for assessment of these markers. The relationship between the VF estimates and the true volume fraction (VF(t)) was found to be strongly dependent on the dilution ratio and also depended, to a lesser extent, on the spectral resolution. These dependences are attributable to the effect of changes in matrix polarity on the bandwidth of the ν(CO) marker bands. Excellent VF(t) estimates were obtained by making a polarity correction devised with a variance-spectrum-delineated correction equation. In the absence of such a correction, SR was shown to introduce only a minor and constant bias, provided that polarity differences among all the diluted samples analyzed were minimal. This bias can be built into the calibration of a quantitative FT-IR analytical method by subjecting appropriate calibration standards to the same SR procedure as the samples to be analyzed. The primary purpose of the SR technique is to simplify preparation of diluted samples such that only approximate proportions need to be adhered to, rather than using exact weights or volumes, the marker accounting for minor variations. Additional applications discussed include the use of the SR technique in extraction-based, quantitative, automated FT-IR methods for the determination of moisture, acid number, and base number in lubricating oils, as well as of moisture content in edible oils.

[Main Components of Xinjiang Lavender Essential Oil Determined by Partial Least Squares and Near Infrared Spectroscopy].

PubMed

Liao, Xiang; Wang, Qing; Fu, Ji-hong; Tang, Jun

2015-09-01

This work was undertaken to establish a quantitative analysis model which can rapid determinate the content of linalool, linalyl acetate of Xinjiang lavender essential oil. Totally 165 lavender essential oil samples were measured by using near infrared absorption spectrum (NIR), after analyzing the near infrared spectral absorption peaks of all samples, lavender essential oil have abundant chemical information and the interference of random noise may be relatively low on the spectral intervals of 7100~4500 cm(-1). Thus, the PLS models was constructed by using this interval for further analysis. 8 abnormal samples were eliminated. Through the clustering method, 157 lavender essential oil samples were divided into 105 calibration set samples and 52 validation set samples. Gas chromatography mass spectrometry (GC-MS) was used as a tool to determine the content of linalool and linalyl acetate in lavender essential oil. Then the matrix was established with the GC-MS raw data of two compounds in combination with the original NIR data. In order to optimize the model, different pretreatment methods were used to preprocess the raw NIR spectral to contrast the spectral filtering effect, after analysizing the quantitative model results of linalool and linalyl acetate, the root mean square error prediction (RMSEP) of orthogonal signal transformation (OSC) was 0.226, 0.558, spectrally, it was the optimum pretreatment method. In addition, forward interval partial least squares (FiPLS) method was used to exclude the wavelength points which has nothing to do with determination composition or present nonlinear correlation, finally 8 spectral intervals totally 160 wavelength points were obtained as the dataset. Combining the data sets which have optimized by OSC-FiPLS with partial least squares (PLS) to establish a rapid quantitative analysis model for determining the content of linalool and linalyl acetate in Xinjiang lavender essential oil, numbers of hidden variables of two components were 8 in the model. The performance of the model was evaluated according to root mean square error of cross-validation (RMSECV), root mean square error of prediction (RMSEP). In the model, RESECV of linalool and linalyl acetate were 0.170 and 0.416, respectively; RM-SEP were 0.188 and 0.364. The results indicated that raw data was pretreated by OSC and FiPLS, the NIR-PLS quantitative analysis model with good robustness, high measurement precision; it could quickly determine the content of linalool and linalyl acetate in lavender essential oil. In addition, the model has a favorable prediction ability. The study also provide a new effective method which could rapid quantitative analysis the major components of Xinjiang lavender essential oil.

Classification of normal and malignant human gastric mucosa tissue with confocal Raman microspectroscopy and wavelet analysis

NASA Astrophysics Data System (ADS)

Hu, Yaogai; Shen, Aiguo; Jiang, Tao; Ai, Yong; Hu, Jiming

2008-02-01

Thirty-two samples from the human gastric mucosa tissue, including 13 normal and 19 malignant tissue samples were measured by confocal Raman microspectroscopy. The low signal-to-background ratio spectra from human gastric mucosa tissues were obtained by this technique without any sample preparation. Raman spectral interferences include a broad featureless sloping background due to fluorescence and noise. They mask most Raman spectral feature and lead to problems with precision and quantitation of the original spectral information. A preprocessed algorithm based on wavelet analysis was used to reduce noise and eliminate background/baseline of Raman spectra. Comparing preprocessed spectra of malignant gastric mucosa tissues with those of counterpart normal ones, there were obvious spectral changes, including intensity increase at ˜1156 cm -1 and intensity decrease at ˜1587 cm -1. The quantitative criterion based upon the intensity ratio of the ˜1156 and ˜1587 cm -1 was extracted for classification of the normal and malignant gastric mucosa tissue samples. This could result in a new diagnostic method, which would assist the early diagnosis of gastric cancer.

An interactive tool for semi-automatic feature extraction of hyperspectral data

NASA Astrophysics Data System (ADS)

Kovács, Zoltán; Szabó, Szilárd

2016-09-01

The spectral reflectance of the surface provides valuable information about the environment, which can be used to identify objects (e.g. land cover classification) or to estimate quantities of substances (e.g. biomass). We aimed to develop an MS Excel add-in - Hyperspectral Data Analyst (HypDA) - for a multipurpose quantitative analysis of spectral data in VBA programming language. HypDA was designed to calculate spectral indices from spectral data with user defined formulas (in all possible combinations involving a maximum of 4 bands) and to find the best correlations between the quantitative attribute data of the same object. Different types of regression models reveal the relationships, and the best results are saved in a worksheet. Qualitative variables can also be involved in the analysis carried out with separability and hypothesis testing; i.e. to find the wavelengths responsible for separating data into predefined groups. HypDA can be used both with hyperspectral imagery and spectrometer measurements. This bivariate approach requires significantly fewer observations than popular multivariate methods; it can therefore be applied to a wide range of research areas.

Multispectral colour analysis for quantitative evaluation of pseudoisochromatic color deficiency tests

NASA Astrophysics Data System (ADS)

Ozolinsh, Maris; Fomins, Sergejs

2010-11-01

Multispectral color analysis was used for spectral scanning of Ishihara and Rabkin color deficiency test book images. It was done using tunable liquid-crystal LC filters built in the Nuance II analyzer. Multispectral analysis keeps both, information on spatial content of tests and on spectral content. Images were taken in the range of 420-720nm with a 10nm step. We calculated retina neural activity charts taking into account cone sensitivity functions, and processed charts in order to find the visibility of latent symbols in color deficiency plates using cross-correlation technique. In such way the quantitative measure is found for each of diagnostics plate for three different color deficiency carrier types - protanopes, deutanopes and tritanopes. Multispectral color analysis allows to determine the CIE xyz color coordinates of pseudoisochromatic plate design elements and to perform statistical analysis of these data to compare the color quality of available color deficiency test books.

Reliable Quantitative Mineral Abundances of the Martian Surface using THEMIS

NASA Astrophysics Data System (ADS)

Smith, R. J.; Huang, J.; Ryan, A. J.; Christensen, P. R.

2013-12-01

The following presents a proof of concept that given quality data, Thermal Emission Imaging System (THEMIS) data can be used to derive reliable quantitative mineral abundances of the Martian surface using a limited mineral library. The THEMIS instrument aboard the Mars Odyssey spacecraft is a multispectral thermal infrared imager with a spatial resolution of 100 m/pixel. The relatively high spatial resolution along with global coverage makes THEMIS datasets powerful tools for comprehensive fine scale petrologic analyses. However, the spectral resolution of THEMIS is limited to 8 surface sensitive bands between 6.8 and 14.0 μm with an average bandwidth of ~ 1 μm, which complicates atmosphere-surface separation and spectral analysis. This study utilizes the atmospheric correction methods of both Bandfield et al. [2004] and Ryan et al. [2013] joined with the iterative linear deconvolution technique pioneered by Huang et al. [in review] in order to derive fine-scale quantitative mineral abundances of the Martian surface. In general, it can be assumed that surface emissivity combines in a linear fashion in the thermal infrared (TIR) wavelengths such that the emitted energy is proportional to the areal percentage of the minerals present. TIR spectra are unmixed using a set of linear equations involving an endmember library of lab measured mineral spectra. The number of endmembers allowed in a spectral library are restricted to a quantity of n-1 (where n = the number of spectral bands of an instrument), preserving one band for blackbody. Spectral analysis of THEMIS data is thus allowed only seven endmembers. This study attempts to prove that this limitation does not prohibit the derivation of meaningful spectral analyses from THEMIS data. Our study selects THEMIS stamps from a region of Mars that is well characterized in the TIR by the higher spectral resolution, lower spatial resolution Thermal Emission Spectrometer (TES) instrument (143 bands at 10 cm-1 sampling and 3x5 km pixel). Multiple atmospheric corrections are performed for one image using the methods of Bandfield et al. [2004] and Ryan et al. [2013]. 7x7 pixel areas were selected, averaged, and compared using each atmospherically corrected image to ensure consistency. Corrections that provided reliable data were then used for spectral analyses. Linear deconvolution is performed using an iterative spectral analysis method [Huang et al. in review] that takes an endmember spectral library, and creates mineral combinations based on prescribed mineral group selections. The script then performs a spectral mixture analysis on each surface spectrum using all possible mineral combinations, and reports the best modeled fit to the measured spectrum. Here we present initial results from Syrtis Planum where multiple atmospherically corrected THEMIS images were deconvolved to produce similar spectral analysis results, within the detection limit of the instrument. THEMIS mineral abundances are comparable to TES-derived abundances. References: Bandfield, JL et al. [2004], JGR 109, E10008 Huang, J et al., JGR, in review Ryan, AJ et al. [2013], AGU Fall Meeting

The spectral applications of Beer-Lambert law for some biological and dosimetric materials

NASA Astrophysics Data System (ADS)

Içelli, Orhan; Yalçin, Zeynel; Karakaya, Vatan; Ilgaz, Işıl P.

2014-08-01

The aim of this study is to conduct quantitative and qualitative analysis of biological and dosimetric materials which contain organic and inorganic materials and to make the determination by using the spectral theorem Beer-Lambert law. Beer-Lambert law is a system of linear equations for the spectral theory. It is possible to solve linear equations with a non-zero coefficient matrix determinant forming linear equations. Characteristic matrix of the linear equation with zero determinant is called point spectrum at the spectral theory.

The Spectral Image Processing System (SIPS): Software for integrated analysis of AVIRIS data

NASA Technical Reports Server (NTRS)

Kruse, F. A.; Lefkoff, A. B.; Boardman, J. W.; Heidebrecht, K. B.; Shapiro, A. T.; Barloon, P. J.; Goetz, A. F. H.

1992-01-01

The Spectral Image Processing System (SIPS) is a software package developed by the Center for the Study of Earth from Space (CSES) at the University of Colorado, Boulder, in response to a perceived need to provide integrated tools for analysis of imaging spectrometer data both spectrally and spatially. SIPS was specifically designed to deal with data from the Airborne Visible/Infrared Imaging Spectrometer (AVIRIS) and the High Resolution Imaging Spectrometer (HIRIS), but was tested with other datasets including the Geophysical and Environmental Research Imaging Spectrometer (GERIS), GEOSCAN images, and Landsat TM. SIPS was developed using the 'Interactive Data Language' (IDL). It takes advantage of high speed disk access and fast processors running under the UNIX operating system to provide rapid analysis of entire imaging spectrometer datasets. SIPS allows analysis of single or multiple imaging spectrometer data segments at full spatial and spectral resolution. It also allows visualization and interactive analysis of image cubes derived from quantitative analysis procedures such as absorption band characterization and spectral unmixing. SIPS consists of three modules: SIPS Utilities, SIPS_View, and SIPS Analysis. SIPS version 1.1 is described below.

Accurate quantitative CF-LIBS analysis of both major and minor elements in alloys via iterative correction of plasma temperature and spectral intensity

NASA Astrophysics Data System (ADS)

Shuxia, ZHAO; Lei, ZHANG; Jiajia, HOU; Yang, ZHAO; Wangbao, YIN; Weiguang, MA; Lei, DONG; Liantuan, XIAO; Suotang, JIA

2018-03-01

The chemical composition of alloys directly determines their mechanical behaviors and application fields. Accurate and rapid analysis of both major and minor elements in alloys plays a key role in metallurgy quality control and material classification processes. A quantitative calibration-free laser-induced breakdown spectroscopy (CF-LIBS) analysis method, which carries out combined correction of plasma temperature and spectral intensity by using a second-order iterative algorithm and two boundary standard samples, is proposed to realize accurate composition measurements. Experimental results show that, compared to conventional CF-LIBS analysis, the relative errors for major elements Cu and Zn and minor element Pb in the copper-lead alloys has been reduced from 12%, 26% and 32% to 1.8%, 2.7% and 13.4%, respectively. The measurement accuracy for all elements has been improved substantially.

Prediction Analysis for Measles Epidemics

NASA Astrophysics Data System (ADS)

Sumi, Ayako; Ohtomo, Norio; Tanaka, Yukio; Sawamura, Sadashi; Olsen, Lars Folke; Kobayashi, Nobumichi

2003-12-01

A newly devised procedure of prediction analysis, which is a linearized version of the nonlinear least squares method combined with the maximum entropy spectral analysis method, was proposed. This method was applied to time series data of measles case notification in several communities in the UK, USA and Denmark. The dominant spectral lines observed in each power spectral density (PSD) can be safely assigned as fundamental periods. The optimum least squares fitting (LSF) curve calculated using these fundamental periods can essentially reproduce the underlying variation of the measles data. An extension of the LSF curve can be used to predict measles case notification quantitatively. Some discussions including a predictability of chaotic time series are presented.

Breast-Lesion Characterization using Textural Features of Quantitative Ultrasound Parametric Maps.

PubMed

Sadeghi-Naini, Ali; Suraweera, Harini; Tran, William Tyler; Hadizad, Farnoosh; Bruni, Giancarlo; Rastegar, Rashin Fallah; Curpen, Belinda; Czarnota, Gregory J

2017-10-20

This study evaluated, for the first time, the efficacy of quantitative ultrasound (QUS) spectral parametric maps in conjunction with texture-analysis techniques to differentiate non-invasively benign versus malignant breast lesions. Ultrasound B-mode images and radiofrequency data were acquired from 78 patients with suspicious breast lesions. QUS spectral-analysis techniques were performed on radiofrequency data to generate parametric maps of mid-band fit, spectral slope, spectral intercept, spacing among scatterers, average scatterer diameter, and average acoustic concentration. Texture-analysis techniques were applied to determine imaging biomarkers consisting of mean, contrast, correlation, energy and homogeneity features of parametric maps. These biomarkers were utilized to classify benign versus malignant lesions with leave-one-patient-out cross-validation. Results were compared to histopathology findings from biopsy specimens and radiology reports on MR images to evaluate the accuracy of technique. Among the biomarkers investigated, one mean-value parameter and 14 textural features demonstrated statistically significant differences (p < 0.05) between the two lesion types. A hybrid biomarker developed using a stepwise feature selection method could classify the legions with a sensitivity of 96%, a specificity of 84%, and an AUC of 0.97. Findings from this study pave the way towards adapting novel QUS-based frameworks for breast cancer screening and rapid diagnosis in clinic.

Analytical robustness of quantitative NIR chemical imaging for Islamic paper characterization

NASA Astrophysics Data System (ADS)

Mahgoub, Hend; Gilchrist, John R.; Fearn, Thomas; Strlič, Matija

2017-07-01

Recently, spectral imaging techniques such as Multispectral (MSI) and Hyperspectral Imaging (HSI) have gained importance in the field of heritage conservation. This paper explores the analytical robustness of quantitative chemical imaging for Islamic paper characterization by focusing on the effect of different measurement and processing parameters, i.e. acquisition conditions and calibration on the accuracy of the collected spectral data. This will provide a better understanding of the technique that can provide a measure of change in collections through imaging. For the quantitative model, special calibration target was devised using 105 samples from a well-characterized reference Islamic paper collection. Two material properties were of interest: starch sizing and cellulose degree of polymerization (DP). Multivariate data analysis methods were used to develop discrimination and regression models which were used as an evaluation methodology for the metrology of quantitative NIR chemical imaging. Spectral data were collected using a pushbroom HSI scanner (Gilden Photonics Ltd) in the 1000-2500 nm range with a spectral resolution of 6.3 nm using a mirror scanning setup and halogen illumination. Data were acquired at different measurement conditions and acquisition parameters. Preliminary results showed the potential of the evaluation methodology to show that measurement parameters such as the use of different lenses and different scanning backgrounds may not have a great influence on the quantitative results. Moreover, the evaluation methodology allowed for the selection of the best pre-treatment method to be applied to the data.

Classical least squares multivariate spectral analysis

DOEpatents

Haaland, David M.

2002-01-01

An improved classical least squares multivariate spectral analysis method that adds spectral shapes describing non-calibrated components and system effects (other than baseline corrections) present in the analyzed mixture to the prediction phase of the method. These improvements decrease or eliminate many of the restrictions to the CLS-type methods and greatly extend their capabilities, accuracy, and precision. One new application of PACLS includes the ability to accurately predict unknown sample concentrations when new unmodeled spectral components are present in the unknown samples. Other applications of PACLS include the incorporation of spectrometer drift into the quantitative multivariate model and the maintenance of a calibration on a drifting spectrometer. Finally, the ability of PACLS to transfer a multivariate model between spectrometers is demonstrated.

Robust and transferable quantification of NMR spectral quality using IROC analysis

NASA Astrophysics Data System (ADS)

Zambrello, Matthew A.; Maciejewski, Mark W.; Schuyler, Adam D.; Weatherby, Gerard; Hoch, Jeffrey C.

2017-12-01

Non-Fourier methods are increasingly utilized in NMR spectroscopy because of their ability to handle nonuniformly-sampled data. However, non-Fourier methods present unique challenges due to their nonlinearity, which can produce nonrandom noise and render conventional metrics for spectral quality such as signal-to-noise ratio unreliable. The lack of robust and transferable metrics (i.e. applicable to methods exhibiting different nonlinearities) has hampered comparison of non-Fourier methods and nonuniform sampling schemes, preventing the identification of best practices. We describe a novel method, in situ receiver operating characteristic analysis (IROC), for characterizing spectral quality based on the Receiver Operating Characteristic curve. IROC utilizes synthetic signals added to empirical data as "ground truth", and provides several robust scalar-valued metrics for spectral quality. This approach avoids problems posed by nonlinear spectral estimates, and provides a versatile quantitative means of characterizing many aspects of spectral quality. We demonstrate applications to parameter optimization in Fourier and non-Fourier spectral estimation, critical comparison of different methods for spectrum analysis, and optimization of nonuniform sampling schemes. The approach will accelerate the discovery of optimal approaches to nonuniform sampling experiment design and non-Fourier spectrum analysis for multidimensional NMR.

Different techniques of multispectral data analysis for vegetation fraction retrieval

NASA Astrophysics Data System (ADS)

Kancheva, Rumiana; Georgiev, Georgi

2012-07-01

Vegetation monitoring is one of the most important applications of remote sensing technologies. In respect to farmlands, the assessment of crop condition constitutes the basis of growth, development, and yield processes monitoring. Plant condition is defined by a set of biometric variables, such as density, height, biomass amount, leaf area index, and etc. The canopy cover fraction is closely related to these variables, and is state-indicative of the growth process. At the same time it is a defining factor of the soil-vegetation system spectral signatures. That is why spectral mixtures decomposition is a primary objective in remotely sensed data processing and interpretation, specifically in agricultural applications. The actual usefulness of the applied methods depends on their prediction reliability. The goal of this paper is to present and compare different techniques for quantitative endmember extraction from soil-crop patterns reflectance. These techniques include: linear spectral unmixing, two-dimensional spectra analysis, spectral ratio analysis (vegetation indices), spectral derivative analysis (red edge position), colorimetric analysis (tristimulus values sum, chromaticity coordinates and dominant wavelength). The objective is to reveal their potential, accuracy and robustness for plant fraction estimation from multispectral data. Regression relationships have been established between crop canopy cover and various spectral estimators.

Application of Raman Spectroscopy for the Detection of Acetone Dissolved in Transformer Oil

NASA Astrophysics Data System (ADS)

Gu, Z.; Chen, W.; Du, L.; Shi, H.; Wan, F.

2018-05-01

The CLRS detection characteristics of acetone dissolved in transformer oil were analyzed. Raman spectral peak at 780 cm-1 was used as the characteristic spectral peak for qualitative and quantitative analyses. The effect of the detection depth and the temperature was investigated in order to obtain good Raman signals. The optimal detection depth and temperature were set as 3 mm and room temperature. A quantitative model relation between concentration and the Raman peak intensity ratio I 780/I 893 was constructed via the least-squares method. The results demonstrated that CLRS can quantitatively detect the concentration of acetone in transformer oil and CLRS has potential as a useful alternative for accelerating the in-situ analysis of the concentration of acetone in transformer oil.

Application of Raman Spectroscopy for the Detection of Acetone Dissolved in Transformer Oil

NASA Astrophysics Data System (ADS)

Gu, Z.; Chen, W.; Du, L.; Shi, H.; Wan, F.

2018-05-01

The CLRS detection characteristics of acetone dissolved in transformer oil were analyzed. Raman spectral peak at 780 cm-1 was used as the characteristic spectral peak for qualitative and quantitative analyses. The effect of the detection depth and the temperature was investigated in order to obtain good Raman signals. The optimal detection depth and temperature were set as 3 mm and room temperature. A quantitative model relation between concentration and the Raman peak intensity ratio I 780/ I 893 was constructed via the least-squares method. The results demonstrated that CLRS can quantitatively detect the concentration of acetone in transformer oil and CLRS has potential as a useful alternative for accelerating the in-situ analysis of the concentration of acetone in transformer oil.

Two-photon optical imaging, spectral and fluorescence lifetime analysis to discriminate urothelial carcinoma grades.

PubMed

Pradère, B; Poulon, F; Compérat, E; Lucas, I; Bazin, D; Doizi, S; Cussenot, O; Traxer, O; Abi Haidar, D

2018-05-28

In the framework of urologic oncology, mini-invasive procedures have increased in the last few decades particularly for urothelial carcinoma. One of the essential elements in the management of this disease is still the diagnosis, which strongly influences the choice of treatment. The histopathologic evaluation of the tumor grade is a keystone of diagnosis, and tumor characterization is not possible with just a macroscopic evaluation. Even today intraoperative evaluation remains difficult despite the emergence of new technologies which use exogenous fluorophore. This study assessed an optical multimodal technique based on endogenous fluorescence, combining qualitative and quantitative analysis, for the diagnostic of urothelial carcinoma. It was found that the combination of two photon fluorescence, second harmonic generation microscopy, spectral analysis and fluorescence lifetime imaging were all able to discriminate tumor from healthy tissue, and to determine the grade of tumors. Spectral analysis of fluorescence intensity and the redox ratio used as quantitative evaluations showed statistical differences between low grade and high grade tumors. These results showed that multimodal optical analysis is a promising technology for the development of an optical fiber setup designed for an intraoperative diagnosis of urothelial carcinoma in the area of endourology. This article is protected by copyright. All rights reserved. This article is protected by copyright. All rights reserved.

Chromatographic background drift correction coupled with parallel factor analysis to resolve coelution problems in three-dimensional chromatographic data: quantification of eleven antibiotics in tap water samples by high-performance liquid chromatography coupled with a diode array detector.

PubMed

Yu, Yong-Jie; Wu, Hai-Long; Fu, Hai-Yan; Zhao, Juan; Li, Yuan-Na; Li, Shu-Fang; Kang, Chao; Yu, Ru-Qin

2013-08-09

Chromatographic background drift correction has been an important field of research in chromatographic analysis. In the present work, orthogonal spectral space projection for background drift correction of three-dimensional chromatographic data was described in detail and combined with parallel factor analysis (PARAFAC) to resolve overlapped chromatographic peaks and obtain the second-order advantage. This strategy was verified by simulated chromatographic data and afforded significant improvement in quantitative results. Finally, this strategy was successfully utilized to quantify eleven antibiotics in tap water samples. Compared with the traditional methodology of introducing excessive factors for the PARAFAC model to eliminate the effect of background drift, clear improvement in the quantitative performance of PARAFAC was observed after background drift correction by orthogonal spectral space projection. Copyright © 2013 Elsevier B.V. All rights reserved.

Two-dimensional grayscale ultrasound and spectral Doppler waveform evaluation of dogs with chronic enteropathies.

PubMed

Gaschen, Lorrie; Kircher, Patrick

2007-08-01

Sonography is an important diagnostic tool to examine the gastrointestinal tract of dogs with chronic diarrhea. Two-dimensional grayscale ultrasound parameters to assess for various enteropathies primarily focus on wall thickness and layering. Mild, generalized thickening of the intestinal wall with maintenance of the wall layering is common in inflammatory bowel disease. Quantitative and semi-quantitative spectral Doppler arterial waveform analysis can be utilized for various enteropathies, including inflammatory bowel disease and food allergies. Dogs with inflammatory bowel disease have inadequate hemodynamic responses during digestion of food. Dogs with food allergies have prolonged vasodilation and lower resistive and pulsatility indices after eating allergen-inducing foods.

Spectral interferometry for morphological imaging in in vitro fertilization (IVF) (Conference Presentation)

NASA Astrophysics Data System (ADS)

Zhu, Yizheng; Li, Chengshuai

2016-03-01

Morphological assessment of spermatozoa is of critical importance for in vitro fertilization (IVF), especially intracytoplasmic sperm injection (ICSI)-based IVF. In ICSI, a single sperm cell is selected and injected into an egg to achieve fertilization. The quality of the sperm cell is found to be highly correlated to IVF success. Sperm morphology, such as shape, head birefringence and motility, among others, are typically evaluated under a microscope. Current observation relies on conventional techniques such as differential interference contrast microscopy and polarized light microscopy. Their qualitative nature, however, limits the ability to provide accurate quantitative analysis. Here, we demonstrate quantitative morphological measurement of sperm cells using two types of spectral interferometric techniques, namely spectral modulation interferometry and spectral multiplexing interferometry. Both are based on spectral-domain low coherence interferometry, which is known for its exquisite phase determination ability. While spectral modulation interferometry encodes sample phase in a single spectrum, spectral multiplexing interferometry does so for sample birefringence. Therefore they are capable of highly sensitive phase and birefringence imaging. These features suit well in the imaging of live sperm cells, which are small, dynamic objects with only low to moderate levels of phase and birefringence contrast. We will introduce the operation of both techniques and demonstrate their application to measuring the phase and birefringence morphology of sperm cells.

Quantitative spectral and orientational analysis in surface sum frequency generation vibrational spectroscopy (SFG-VS)

NASA Astrophysics Data System (ADS)

Wang, Hong-Fei; Gan, Wei; Lu, Rong; Rao, Yi; Wu, Bao-Hua

Sum frequency generation vibrational spectroscopy (SFG-VS) has been proven to be a uniquely effective spectroscopic technique in the investigation of molecular structure and conformations, as well as the dynamics of molecular interfaces. However, the ability to apply SFG-VS to complex molecular interfaces has been limited by the ability to abstract quantitative information from SFG-VS experiments. In this review, we try to make assessments of the limitations, issues and techniques as well as methodologies in quantitative orientational and spectral analysis with SFG-VS. Based on these assessments, we also try to summarize recent developments in methodologies on quantitative orientational and spectral analysis in SFG-VS, and their applications to detailed analysis of SFG-VS data of various vapour/neat liquid interfaces. A rigorous formulation of the polarization null angle (PNA) method is given for accurate determination of the orientational parameter D = /, and comparison between the PNA method with the commonly used polarization intensity ratio (PIR) method is discussed. The polarization and incident angle dependencies of the SFG-VS intensity are also reviewed, in the light of how experimental arrangements can be optimized to effectively abstract crucial information from the SFG-VS experiments. The values and models of the local field factors in the molecular layers are discussed. In order to examine the validity and limitations of the bond polarizability derivative model, the general expressions for molecular hyperpolarizability tensors and their expression with the bond polarizability derivative model for C3v, C2v and C∞v molecular groups are given in the two appendixes. We show that the bond polarizability derivative model can quantitatively describe many aspects of the intensities observed in the SFG-VS spectrum of the vapour/neat liquid interfaces in different polarizations. Using the polarization analysis in SFG-VS, polarization selection rules or guidelines are developed for assignment of the SFG-VS spectrum. Using the selection rules, SFG-VS spectra of vapour/diol, and vapour/n-normal alcohol (n˜ 1-8) interfaces are assigned, and some of the ambiguity and confusion, as well as their implications in previous IR and Raman assignment, are duly discussed. The ability to assign a SFG-VS spectrum using the polarization selection rules makes SFG-VS not only an effective and useful vibrational spectroscopy technique for interface studies, but also a complementary vibrational spectroscopy method in general condensed phase studies. These developments will put quantitative orientational and spectral analysis in SFG-VS on a more solid foundation. The formulations, concepts and issues discussed in this review are expected to find broad applications for investigations on molecular interfaces in the future.

STRUCTURAL DETERMINATION AND QUANTITATIVE ANALYSIS OF BACTERIAL PHOSPHOLIPIDS USING LIQUID CHROMATOGRAPHY/ELECTROSPRAY IONIZATION/MASS SPECTROMETRY

EPA Science Inventory

This report presents a comprehensive spectral analysis of common bacterial phospholipids using electrospray/mass spectrometry (ESI/MS) under both negative and positive ionization conditions. Phospholipids under positive ionization yield sodium-adduct molecular ions which are mos...

Spectrally And Temporally Resolved Low-Light Level Video Microscopy

NASA Astrophysics Data System (ADS)

Wampler, John E.; Furukawa, Ruth; Fechheimer, Marcus

1989-12-01

The IDG law-light video microscope system was designed to aid studies of localization of subcellular luminescence sources and stimulus/response coupling in single living cells using luminescent probes. Much of the motivation for design of this instrument system came from the pioneering efforts of Dr. Reynolds (Reynolds, Q. Rev. Biophys. 5, 295-347; Reynolds and Taylor, Bioscience 30, 586-592) who showed the value of intensified video camera systems for detection and localizion of fluorescence and bioluminescence signals from biological tissues. Our instrument system has essentially two roles, 1) localization and quantitation of very weak bioluminescence signals and 2) quantitation of intracellular environmental characteristics such as pH and calcium ion concentrations using fluorescent and bioluminescent probes. The instrument system exhibits over one million fold operating range allowing visualization and enhancement of quantum limited images with quantum limited response, spectral analysis of fluorescence signals, and transmitted light imaging. The computer control of the system implements rapid switching between light regimes, spatially resolved spectral scanning, and digital data processing for spectral shape analysis and for detailed analysis of the statistical distribution of single cell measurements. The system design and software algorithms used by the system are summarized. These design criteria are illustrated with examples taken from studies of bioluminescence, applications of bioluminescence to study developmental processes and gene expression in single living cells, and applications of fluorescent probes to study stimulus/response coupling in living cells.

Molecular spectral imaging system for quantitative immunohistochemical analysis of early diabetic retinopathy.

PubMed

Li, Qingli; Zhang, Jingfa; Wang, Yiting; Xu, Guoteng

2009-12-01

A molecular spectral imaging system has been developed based on microscopy and spectral imaging technology. The system is capable of acquiring molecular spectral images from 400 nm to 800 nm with 2 nm wavelength increments. The basic principles, instrumental systems, and system calibration method as well as its applications for the calculation of the stain-uptake by tissues are introduced. As a case study, the system is used for determining the pathogenesis of diabetic retinopathy and evaluating the therapeutic effects of erythropoietin. Some molecular spectral images of retinal sections of normal, diabetic, and treated rats were collected and analyzed. The typical transmittance curves of positive spots stained for albumin and advanced glycation end products are retrieved from molecular spectral data with the spectral response calibration algorithm. To explore and evaluate the protective effect of erythropoietin (EPO) on retinal albumin leakage of streptozotocin-induced diabetic rats, an algorithm based on Beer-Lambert's law is presented. The algorithm can assess the uptake by histologic retinal sections of stains used in quantitative pathology to label albumin leakage and advanced glycation end products formation. Experimental results show that the system is helpful for the ophthalmologist to reveal the pathogenesis of diabetic retinopathy and explore the protective effect of erythropoietin on retinal cells of diabetic rats. It also highlights the potential of molecular spectral imaging technology to provide more effective and reliable diagnostic criteria in pathology.

Visualization techniques to aid in the analysis of multi-spectral astrophysical data sets

NASA Technical Reports Server (NTRS)

Brugel, Edward W.; Domik, Gitta O.; Ayres, Thomas R.

1993-01-01

The goal of this project was to support the scientific analysis of multi-spectral astrophysical data by means of scientific visualization. Scientific visualization offers its greatest value if it is not used as a method separate or alternative to other data analysis methods but rather in addition to these methods. Together with quantitative analysis of data, such as offered by statistical analysis, image or signal processing, visualization attempts to explore all information inherent in astrophysical data in the most effective way. Data visualization is one aspect of data analysis. Our taxonomy as developed in Section 2 includes identification and access to existing information, preprocessing and quantitative analysis of data, visual representation and the user interface as major components to the software environment of astrophysical data analysis. In pursuing our goal to provide methods and tools for scientific visualization of multi-spectral astrophysical data, we therefore looked at scientific data analysis as one whole process, adding visualization tools to an already existing environment and integrating the various components that define a scientific data analysis environment. As long as the software development process of each component is separate from all other components, users of data analysis software are constantly interrupted in their scientific work in order to convert from one data format to another, or to move from one storage medium to another, or to switch from one user interface to another. We also took an in-depth look at scientific visualization and its underlying concepts, current visualization systems, their contributions, and their shortcomings. The role of data visualization is to stimulate mental processes different from quantitative data analysis, such as the perception of spatial relationships or the discovery of patterns or anomalies while browsing through large data sets. Visualization often leads to an intuitive understanding of the meaning of data values and their relationships by sacrificing accuracy in interpreting the data values. In order to be accurate in the interpretation, data values need to be measured, computed on, and compared to theoretical or empirical models (quantitative analysis). If visualization software hampers quantitative analysis (which happens with some commercial visualization products), its use is greatly diminished for astrophysical data analysis. The software system STAR (Scientific Toolkit for Astrophysical Research) was developed as a prototype during the course of the project to better understand the pragmatic concerns raised in the project. STAR led to a better understanding on the importance of collaboration between astrophysicists and computer scientists.

RAMAN SPECTRAL ANALYSIS OF PERCHLORATE CONTAMINATION IN COMMONLY-USED FERTILIZERS

EPA Science Inventory

Raman spectroscopy (RS) was used for qualitative and quantitative analysis of perchlorate (ClO4-1) in 30+ commonly-used fertilizers. Perchlorate contamination is emerging as an important environmental issue since its discovery in water resources that are widely used for drinking...

[Influence of Spectral Pre-Processing on PLS Quantitative Model of Detecting Cu in Navel Orange by LIBS].

PubMed

Li, Wen-bing; Yao, Lin-tao; Liu, Mu-hua; Huang, Lin; Yao, Ming-yin; Chen, Tian-bing; He, Xiu-wen; Yang, Ping; Hu, Hui-qin; Nie, Jiang-hui

2015-05-01

Cu in navel orange was detected rapidly by laser-induced breakdown spectroscopy (LIBS) combined with partial least squares (PLS) for quantitative analysis, then the effect on the detection accuracy of the model with different spectral data ptetreatment methods was explored. Spectral data for the 52 Gannan navel orange samples were pretreated by different data smoothing, mean centralized and standard normal variable transform. Then 319~338 nm wavelength section containing characteristic spectral lines of Cu was selected to build PLS models, the main evaluation indexes of models such as regression coefficient (r), root mean square error of cross validation (RMSECV) and the root mean square error of prediction (RMSEP) were compared and analyzed. Three indicators of PLS model after 13 points smoothing and processing of the mean center were found reaching 0. 992 8, 3. 43 and 3. 4 respectively, the average relative error of prediction model is only 5. 55%, and in one word, the quality of calibration and prediction of this model are the best results. The results show that selecting the appropriate data pre-processing method, the prediction accuracy of PLS quantitative model of fruits and vegetables detected by LIBS can be improved effectively, providing a new method for fast and accurate detection of fruits and vegetables by LIBS.

[Analysis of H2S/PH3/NH3/AsH3/Cl2 by Full-Spectral Flame Photometric Detector].

PubMed

Ding, Zhi-jun; Wang, Pu-hong; Li, Zhi-jun; Du, Bin; Guo, Lei; Yu, Jian-hua

2015-07-01

Flame photometric analysis technology has been proven to be a rapid and sensitive method for sulfur and phosphorus detection. It has been widely used in environmental inspections, pesticide detection, industrial and agricultural production. By improving the design of the traditional flame photometric detector, using grating and CCD sensor array as a photoelectric conversion device, the types of compounds that can be detected were expanded. Instead of a single point of characteristic spectral lines, full spectral information has been used for qualitative and quantitative analysis of H2S, PH3, NH3, AsH3 and Cl2. Combined with chemometric method, flame photometric analysis technology is expected to become an alternative fast, real-time on-site detection technology to simultaneously detect multiple toxic and harmful gases.

The effects of AVIRIS atmospheric calibration methodology on identification and quantitative mapping of surface mineralogy, Drum Mountains, Utah

NASA Technical Reports Server (NTRS)

Kruse, Fred A.; Dwyer, John L.

1993-01-01

The Airborne Visible/Infrared Imaging Spectrometer (AVIRIS) measures reflected light in 224 contiguous spectra bands in the 0.4 to 2.45 micron region of the electromagnetic spectrum. Numerous studies have used these data for mineralogic identification and mapping based on the presence of diagnostic spectral features. Quantitative mapping requires conversion of the AVIRIS data to physical units (usually reflectance) so that analysis results can be compared and validated with field and laboratory measurements. This study evaluated two different AVIRIS calibration techniques to ground reflectance: an empirically-based method and an atmospheric model based method to determine their effects on quantitative scientific analyses. Expert system analysis and linear spectral unmixing were applied to both calibrated data sets to determine the effect of the calibration on the mineral identification and quantitative mapping results. Comparison of the image-map results and image reflectance spectra indicate that the model-based calibrated data can be used with automated mapping techniques to produce accurate maps showing the spatial distribution and abundance of surface mineralogy. This has positive implications for future operational mapping using AVIRIS or similar imaging spectrometer data sets without requiring a priori knowledge.

A spectral approach for the quantitative description of cardiac collagen network from nonlinear optical imaging.

PubMed

Masè, Michela; Cristoforetti, Alessandro; Avogaro, Laura; Tessarolo, Francesco; Piccoli, Federico; Caola, Iole; Pederzolli, Carlo; Graffigna, Angelo; Ravelli, Flavia

2015-01-01

The assessment of collagen structure in cardiac pathology, such as atrial fibrillation (AF), is essential for a complete understanding of the disease. This paper introduces a novel methodology for the quantitative description of collagen network properties, based on the combination of nonlinear optical microscopy with a spectral approach of image processing and analysis. Second-harmonic generation (SHG) microscopy was applied to atrial tissue samples from cardiac surgery patients, providing label-free, selective visualization of the collagen structure. The spectral analysis framework, based on 2D-FFT, was applied to the SHG images, yielding a multiparametric description of collagen fiber orientation (angle and anisotropy indexes) and texture scale (dominant wavelength and peak dispersion indexes). The proof-of-concept application of the methodology showed the capability of our approach to detect and quantify differences in the structural properties of the collagen network in AF versus sinus rhythm patients. These results suggest the potential of our approach in the assessment of collagen properties in cardiac pathologies related to a fibrotic structural component.

Landsat analysis of tropical forest succession employing a terrain model

NASA Technical Reports Server (NTRS)

Barringer, T. H.; Robinson, V. B.; Coiner, J. C.; Bruce, R. C.

1980-01-01

Landsat multispectral scanner (MSS) data have yielded a dual classification of rain forest and shadow in an analysis of a semi-deciduous forest on Mindonoro Island, Philippines. Both a spatial terrain model, using a fifth side polynomial trend surface analysis for quantitatively estimating the general spatial variation in the data set, and a spectral terrain model, based on the MSS data, have been set up. A discriminant analysis, using both sets of data, has suggested that shadowing effects may be due primarily to local variations in the spectral regions and can therefore be compensated for through the decomposition of the spatial variation in both elevation and MSS data.

A quantitative analysis of spectral mechanisms involved in auditory detection of coloration by a single wall reflection.

PubMed

Buchholz, Jörg M

2011-07-01

Coloration detection thresholds (CDTs) were measured for a single reflection as a function of spectral content and reflection delay for diotic stimulus presentation. The direct sound was a 320-ms long burst of bandpass-filtered noise with varying lower and upper cut-off frequencies. The resulting threshold data revealed that: (1) sensitivity decreases with decreasing bandwidth and increasing reflection delay and (2) high-frequency components contribute less to detection than low-frequency components. The auditory processes that may be involved in coloration detection (CD) are discussed in terms of a spectrum-based auditory model, which is conceptually similar to the pattern-transformation model of pitch (Wightman, 1973). Hence, the model derives an auto-correlation function of the input stimulus by applying a frequency analysis to an auditory representation of the power spectrum. It was found that, to successfully describe the quantitative behavior of the CDT data, three important mechanisms need to be included: (1) auditory bandpass filters with a narrower bandwidth than classic Gammatone filters, the increase in spectral resolution was here linked to cochlear suppression, (2) a spectral contrast enhancement process that reflects neural inhibition mechanisms, and (3) integration of information across auditory frequency bands. Copyright © 2011 Elsevier B.V. All rights reserved.

Rayleigh imaging in spectral mammography

NASA Astrophysics Data System (ADS)

Berggren, Karl; Danielsson, Mats; Fredenberg, Erik

2016-03-01

Spectral imaging is the acquisition of multiple images of an object at different energy spectra. In mammography, dual-energy imaging (spectral imaging with two energy levels) has been investigated for several applications, in particular material decomposition, which allows for quantitative analysis of breast composition and quantitative contrast-enhanced imaging. Material decomposition with dual-energy imaging is based on the assumption that there are two dominant photon interaction effects that determine linear attenuation: the photoelectric effect and Compton scattering. This assumption limits the number of basis materials, i.e. the number of materials that are possible to differentiate between, to two. However, Rayleigh scattering may account for more than 10% of the linear attenuation in the mammography energy range. In this work, we show that a modified version of a scanning multi-slit spectral photon-counting mammography system is able to acquire three images at different spectra and can be used for triple-energy imaging. We further show that triple-energy imaging in combination with the efficient scatter rejection of the system enables measurement of Rayleigh scattering, which adds an additional energy dependency to the linear attenuation and enables material decomposition with three basis materials. Three available basis materials have the potential to improve virtually all applications of spectral imaging.

A practical approach to spectral calibration of short wavelength infrared hyper-spectral imaging systems

NASA Astrophysics Data System (ADS)

Bürmen, Miran; Pernuš, Franjo; Likar, Boštjan

2010-02-01

Near-infrared spectroscopy is a promising, rapidly developing, reliable and noninvasive technique, used extensively in the biomedicine and in pharmaceutical industry. With the introduction of acousto-optic tunable filters (AOTF) and highly sensitive InGaAs focal plane sensor arrays, real-time high resolution hyper-spectral imaging has become feasible for a number of new biomedical in vivo applications. However, due to the specificity of the AOTF technology and lack of spectral calibration standardization, maintaining long-term stability and compatibility of the acquired hyper-spectral images across different systems is still a challenging problem. Efficiently solving both is essential as the majority of methods for analysis of hyper-spectral images relay on a priori knowledge extracted from large spectral databases, serving as the basis for reliable qualitative or quantitative analysis of various biological samples. In this study, we propose and evaluate fast and reliable spectral calibration of hyper-spectral imaging systems in the short wavelength infrared spectral region. The proposed spectral calibration method is based on light sources or materials, exhibiting distinct spectral features, which enable robust non-rigid registration of the acquired spectra. The calibration accounts for all of the components of a typical hyper-spectral imaging system such as AOTF, light source, lens and optical fibers. The obtained results indicated that practical, fast and reliable spectral calibration of hyper-spectral imaging systems is possible, thereby assuring long-term stability and inter-system compatibility of the acquired hyper-spectral images.

[A novel approach to NIR spectral quantitative analysis: semi-supervised least-squares support vector regression machine].

PubMed

Li, Lin; Xu, Shuo; An, Xin; Zhang, Lu-Da

2011-10-01

In near infrared spectral quantitative analysis, the precision of measured samples' chemical values is the theoretical limit of those of quantitative analysis with mathematical models. However, the number of samples that can obtain accurately their chemical values is few. Many models exclude the amount of samples without chemical values, and consider only these samples with chemical values when modeling sample compositions' contents. To address this problem, a semi-supervised LS-SVR (S2 LS-SVR) model is proposed on the basis of LS-SVR, which can utilize samples without chemical values as well as those with chemical values. Similar to the LS-SVR, to train this model is equivalent to solving a linear system. Finally, the samples of flue-cured tobacco were taken as experimental material, and corresponding quantitative analysis models were constructed for four sample compositions' content(total sugar, reducing sugar, total nitrogen and nicotine) with PLS regression, LS-SVR and S2 LS-SVR. For the S2 LS-SVR model, the average relative errors between actual values and predicted ones for the four sample compositions' contents are 6.62%, 7.56%, 6.11% and 8.20%, respectively, and the correlation coefficients are 0.974 1, 0.973 3, 0.923 0 and 0.948 6, respectively. Experimental results show the S2 LS-SVR model outperforms the other two, which verifies the feasibility and efficiency of the S2 LS-SVR model.

A novel baseline correction method using convex optimization framework in laser-induced breakdown spectroscopy quantitative analysis

NASA Astrophysics Data System (ADS)

Yi, Cancan; Lv, Yong; Xiao, Han; Ke, Ke; Yu, Xun

2017-12-01

For laser-induced breakdown spectroscopy (LIBS) quantitative analysis technique, baseline correction is an essential part for the LIBS data preprocessing. As the widely existing cases, the phenomenon of baseline drift is generated by the fluctuation of laser energy, inhomogeneity of sample surfaces and the background noise, which has aroused the interest of many researchers. Most of the prevalent algorithms usually need to preset some key parameters, such as the suitable spline function and the fitting order, thus do not have adaptability. Based on the characteristics of LIBS, such as the sparsity of spectral peaks and the low-pass filtered feature of baseline, a novel baseline correction and spectral data denoising method is studied in this paper. The improved technology utilizes convex optimization scheme to form a non-parametric baseline correction model. Meanwhile, asymmetric punish function is conducted to enhance signal-noise ratio (SNR) of the LIBS signal and improve reconstruction precision. Furthermore, an efficient iterative algorithm is applied to the optimization process, so as to ensure the convergence of this algorithm. To validate the proposed method, the concentration analysis of Chromium (Cr),Manganese (Mn) and Nickel (Ni) contained in 23 certified high alloy steel samples is assessed by using quantitative models with Partial Least Squares (PLS) and Support Vector Machine (SVM). Because there is no prior knowledge of sample composition and mathematical hypothesis, compared with other methods, the method proposed in this paper has better accuracy in quantitative analysis, and fully reflects its adaptive ability.

Least Squares Moving-Window Spectral Analysis.

PubMed

Lee, Young Jong

2017-08-01

Least squares regression is proposed as a moving-windows method for analysis of a series of spectra acquired as a function of external perturbation. The least squares moving-window (LSMW) method can be considered an extended form of the Savitzky-Golay differentiation for nonuniform perturbation spacing. LSMW is characterized in terms of moving-window size, perturbation spacing type, and intensity noise. Simulation results from LSMW are compared with results from other numerical differentiation methods, such as single-interval differentiation, autocorrelation moving-window, and perturbation correlation moving-window methods. It is demonstrated that this simple LSMW method can be useful for quantitative analysis of nonuniformly spaced spectral data with high frequency noise.

A Comparison of Raman Spectral Features of Frozen and Deparaffinized Tissues in Neuroblastoma and Ganglioneuroma

NASA Astrophysics Data System (ADS)

Devpura, Suneetha; Thakur, Jagdish S.; Poulik, Janet M.; Rabah, Raja; Naik, Vaman M.; Naik, Ratna

2012-02-01

We have investigated the cellular regions in neuroblastoma and ganglioneuroma using Raman spectroscopy and compared their spectral characteristics with those of normal adrenal gland. Thin sections from both frozen and deparaffinized tissues, obtained from the same tissue specimen, were studied in conjunction with the pathological examination of the tissues. We found a significant difference in the spectral features of frozen sections of normal adrenal gland, neuroblastoma, and ganglioneuroma when compared to deparaffinized tissues. The quantitative analysis of the Raman data using chemometric methods of principal component analysis and discriminant function analysis obtained from the frozen tissues show a sensitivity and specificity of 100% each. The biochemical identification based on the spectral differences shows that the normal adrenal gland tissues have higher levels of carotenoids, lipids, and cholesterol compared to the neuroblastoma and ganglioneuroma frozen tissues. However, deparaffinized tissues show complete removal of these biochemicals in adrenal tissues. This study demonstrates that Raman spectroscopy combined with chemometric methods can successfully distinguish neuroblastoma and ganglioneuroma at cellular level.

Quantitative polarized light microscopy using spectral multiplexing interferometry.

PubMed

Li, Chengshuai; Zhu, Yizheng

2015-06-01

We propose an interferometric spectral multiplexing method for measuring birefringent specimens with simple configuration and high sensitivity. The retardation and orientation of sample birefringence are simultaneously encoded onto two spectral carrier waves, generated interferometrically by a birefringent crystal through polarization mixing. A single interference spectrum hence contains sufficient information for birefringence determination, eliminating the need for mechanical rotation or electrical modulation. The technique is analyzed theoretically and validated experimentally on cellulose film. System simplicity permits the possibility of mitigating system birefringence background. Further analysis demonstrates the technique's exquisite sensitivity as high as ∼20  pm for retardation measurement.

Spectral Analysis and Experimental Modeling of Ice Accretion Roughness

NASA Technical Reports Server (NTRS)

Orr, D. J.; Breuer, K. S.; Torres, B. E.; Hansman, R. J., Jr.

1996-01-01

A self-consistent scheme for relating wind tunnel ice accretion roughness to the resulting enhancement of heat transfer is described. First, a spectral technique of quantitative analysis of early ice roughness images is reviewed. The image processing scheme uses a spectral estimation technique (SET) which extracts physically descriptive parameters by comparing scan lines from the experimentally-obtained accretion images to a prescribed test function. Analysis using this technique for both streamwise and spanwise directions of data from the NASA Lewis Icing Research Tunnel (IRT) are presented. An experimental technique is then presented for constructing physical roughness models suitable for wind tunnel testing that match the SET parameters extracted from the IRT images. The icing castings and modeled roughness are tested for enhancement of boundary layer heat transfer using infrared techniques in a "dry" wind tunnel.

Skin condition measurement by using multispectral imaging system (Conference Presentation)

NASA Astrophysics Data System (ADS)

Jung, Geunho; Kim, Sungchul; Kim, Jae Gwan

2017-02-01

There are a number of commercially available low level light therapy (LLLT) devices in a market, and face whitening or wrinkle reduction is one of targets in LLLT. The facial improvement could be known simply by visual observation of face, but it cannot provide either quantitative data or recognize a subtle change. Clinical diagnostic instruments such as mexameter can provide a quantitative data, but it costs too high for home users. Therefore, we designed a low cost multi-spectral imaging device by adding additional LEDs (470nm, 640nm, white LED, 905nm) to a commercial USB microscope which has two LEDs (395nm, 940nm) as light sources. Among various LLLT skin treatments, we focused on getting melanin and wrinkle information. For melanin index measurements, multi-spectral images of nevus were acquired and melanin index values from color image (conventional method) and from multi-spectral images were compared. The results showed that multi-spectral analysis of melanin index can visualize nevus with a different depth and concentration. A cross section of wrinkle on skin resembles a wedge which can be a source of high frequency components when the skin image is Fourier transformed into a spatial frequency domain map. In that case, the entropy value of the spatial frequency map can represent the frequency distribution which is related with the amount and thickness of wrinkle. Entropy values from multi-spectral images can potentially separate the percentage of thin and shallow wrinkle from thick and deep wrinkle. From the results, we found that this low cost multi-spectral imaging system could be beneficial for home users of LLLT by providing the treatment efficacy in a quantitative way.

PyQuant: A Versatile Framework for Analysis of Quantitative Mass Spectrometry Data*

PubMed Central

Mitchell, Christopher J.; Kim, Min-Sik; Na, Chan Hyun; Pandey, Akhilesh

2016-01-01

Quantitative mass spectrometry data necessitates an analytical pipeline that captures the accuracy and comprehensiveness of the experiments. Currently, data analysis is often coupled to specific software packages, which restricts the analysis to a given workflow and precludes a more thorough characterization of the data by other complementary tools. To address this, we have developed PyQuant, a cross-platform mass spectrometry data quantification application that is compatible with existing frameworks and can be used as a stand-alone quantification tool. PyQuant supports most types of quantitative mass spectrometry data including SILAC, NeuCode, 15N, 13C, or 18O and chemical methods such as iTRAQ or TMT and provides the option of adding custom labeling strategies. In addition, PyQuant can perform specialized analyses such as quantifying isotopically labeled samples where the label has been metabolized into other amino acids and targeted quantification of selected ions independent of spectral assignment. PyQuant is capable of quantifying search results from popular proteomic frameworks such as MaxQuant, Proteome Discoverer, and the Trans-Proteomic Pipeline in addition to several standalone search engines. We have found that PyQuant routinely quantifies a greater proportion of spectral assignments, with increases ranging from 25–45% in this study. Finally, PyQuant is capable of complementing spectral assignments between replicates to quantify ions missed because of lack of MS/MS fragmentation or that were omitted because of issues such as spectra quality or false discovery rates. This results in an increase of biologically useful data available for interpretation. In summary, PyQuant is a flexible mass spectrometry data quantification platform that is capable of interfacing with a variety of existing formats and is highly customizable, which permits easy configuration for custom analysis. PMID:27231314

Persistence of uranium emission in laser-produced plasmas

DOE Office of Scientific and Technical Information (OSTI.GOV)

LaHaye, N. L.; Harilal, S. S., E-mail: hari@purdue.edu; Diwakar, P. K.

2014-04-28

Detection of uranium and other nuclear materials is of the utmost importance for nuclear safeguards and security. Optical emission spectroscopy of laser-ablated U plasmas has been presented as a stand-off, portable analytical method that can yield accurate qualitative and quantitative elemental analysis of a variety of samples. In this study, optimal laser ablation and ambient conditions are explored, as well as the spatio-temporal evolution of the plasma for spectral analysis of excited U species in a glass matrix. Various Ar pressures were explored to investigate the role that plasma collisional effects and confinement have on spectral line emission enhancement andmore » persistence. The plasma-ambient gas interaction was also investigated using spatially resolved spectra and optical time-of-flight measurements. The results indicate that ambient conditions play a very important role in spectral emission intensity as well as the persistence of excited neutral U emission lines, influencing the appropriate spectral acquisition conditions.« less

Spectral Interferences Manganese (Mn) - Europium (Eu) Lines in X-Ray Fluorescence Spectrometry Spectrum

NASA Astrophysics Data System (ADS)

Tanc, Beril; Kaya, Mustafa; Gumus, Lokman; Kumral, Mustafa

2016-04-01

X-ray fluorescence (XRF) spectrometry is widely used for quantitative and semi quantitative analysis of many major, minor and trace elements in geological samples. Some advantages of the XRF method are; non-destructive sample preparation, applicability for powder, solid, paste and liquid samples and simple spectrum that are independent from chemical state. On the other hand, there are some disadvantages of the XRF methods such as poor sensitivity for low atomic number elements, matrix effect (physical matrix effects, such as fine versus course grain materials, may impact XRF performance) and interference effect (the spectral lines of elements may overlap distorting results for one or more elements). Especially, spectral interferences are very significant factors for accurate results. In this study, semi-quantitative analyzed manganese (II) oxide (MnO, 99.99%) was examined. Samples were pelleted and analyzed with XRF spectrometry (Bruker S8 Tiger). Unexpected peaks were obtained at the side of the major Mn peaks. Although sample does not contain Eu element, in results 0,3% Eu2O3 was observed. These result can occur high concentration of MnO and proximity of Mn and Eu lines. It can be eliminated by using correction equation or Mn concentration can confirm with other methods (such as Atomic absorption spectroscopy). Keywords: Spectral Interferences; Manganese (Mn); Europium (Eu); X-Ray Fluorescence Spectrometry Spectrum.

QPROT: Statistical method for testing differential expression using protein-level intensity data in label-free quantitative proteomics.

PubMed

Choi, Hyungwon; Kim, Sinae; Fermin, Damian; Tsou, Chih-Chiang; Nesvizhskii, Alexey I

2015-11-03

We introduce QPROT, a statistical framework and computational tool for differential protein expression analysis using protein intensity data. QPROT is an extension of the QSPEC suite, originally developed for spectral count data, adapted for the analysis using continuously measured protein-level intensity data. QPROT offers a new intensity normalization procedure and model-based differential expression analysis, both of which account for missing data. Determination of differential expression of each protein is based on the standardized Z-statistic based on the posterior distribution of the log fold change parameter, guided by the false discovery rate estimated by a well-known Empirical Bayes method. We evaluated the classification performance of QPROT using the quantification calibration data from the clinical proteomic technology assessment for cancer (CPTAC) study and a recently published Escherichia coli benchmark dataset, with evaluation of FDR accuracy in the latter. QPROT is a statistical framework with computational software tool for comparative quantitative proteomics analysis. It features various extensions of QSPEC method originally built for spectral count data analysis, including probabilistic treatment of missing values in protein intensity data. With the increasing popularity of label-free quantitative proteomics data, the proposed method and accompanying software suite will be immediately useful for many proteomics laboratories. This article is part of a Special Issue entitled: Computational Proteomics. Copyright © 2015 Elsevier B.V. All rights reserved.

Quantitative Reflectance Spectra of Solid Powders as a Function of Particle Size

DOE PAGES

Myers, Tanya L.; Brauer, Carolyn S.; Su, Yin-Fong; ...

2015-05-19

We have recently developed vetted methods for obtaining quantitative infrared directional-hemispherical reflectance spectra using a commercial integrating sphere. In this paper, the effects of particle size on the spectral properties are analyzed for several samples such as ammonium sulfate, calcium carbonate, and sodium sulfate as well as one organic compound, lactose. We prepared multiple size fractions for each sample and confirmed the mean sizes using optical microscopy. Most species displayed a wide range of spectral behavior depending on the mean particle size. General trends of reflectance vs. particle size are observed such as increased albedo for smaller particles: for mostmore » wavelengths, the reflectivity drops with increased size, sometimes displaying a factor of 4 or more drop in reflectivity along with a loss of spectral contrast. In the longwave infrared, several species with symmetric anions or cations exhibited reststrahlen features whose amplitude was nearly invariant with particle size, at least for intermediate- and large-sized sample fractions; that is, > ~150 microns. Trends of other types of bands (Christiansen minima, transparency features) are also investigated as well as quantitative analysis of the observed relationship between reflectance vs. particle diameter.« less

Quantitative Reflectance Spectra of Solid Powders as a Function of Particle Size

DOE Office of Scientific and Technical Information (OSTI.GOV)

Myers, Tanya L.; Brauer, Carolyn S.; Su, Yin-Fong

We have recently developed vetted methods for obtaining quantitative infrared directional-hemispherical reflectance spectra using a commercial integrating sphere. In this paper, the effects of particle size on the spectral properties are analyzed for several samples such as ammonium sulfate, calcium carbonate, and sodium sulfate as well as one organic compound, lactose. We prepared multiple size fractions for each sample and confirmed the mean sizes using optical microscopy. Most species displayed a wide range of spectral behavior depending on the mean particle size. General trends of reflectance vs. particle size are observed such as increased albedo for smaller particles: for mostmore » wavelengths, the reflectivity drops with increased size, sometimes displaying a factor of 4 or more drop in reflectivity along with a loss of spectral contrast. In the longwave infrared, several species with symmetric anions or cations exhibited reststrahlen features whose amplitude was nearly invariant with particle size, at least for intermediate- and large-sized sample fractions; that is, > ~150 microns. Trends of other types of bands (Christiansen minima, transparency features) are also investigated as well as quantitative analysis of the observed relationship between reflectance vs. particle diameter.« less

Use of airborne hyperspectral data to estimate residual heavy metal contamination and acidification potential in the Guadiamar floodplain Andalusia, Spain after the Aznacollar mining accident

NASA Astrophysics Data System (ADS)

Kemper, Thomas; Sommer, Stefan

2004-10-01

Field and airborne hyperspectral data was used to map residual contamination after a mining accident, by applying spectral mixture modelling. Test case was the Aznalcollar Mine (Southern Spain) accident, where heavy metal bearing sludge from a tailings pond was distributed over large areas of the Guadiamar flood plain. Although the sludge and the contaminated topsoils have been removed mechanically in the whole affected area, still high abundance of pyritic material remained on the ground. During dedicated field campaigns in two subsequent years soil samples were collected for geochemical and spectral laboratory analysis and spectral field measurements were carried out in parallel to data acquisition with the HyMap sensor. A Variable Multiple Endmember Spectral Mixture Analysis (VMESMA) tool was used providing possibilities of multiple endmember unmixing, aiming to estimate the quantities and distribution of the remaining tailings material. A spectrally based zonal partition of the area was introduced to allow the application of different submodels to the selected areas. Based on an iterative feedback process, the unmixing performance could be improved in each stage until an optimum level was reached. The sludge abundances obtained by unmixing the hyperspectral spectral data were confirmed by the field observations and chemical measurements of samples taken in the area. The semi-quantitative sludge abundances of residual pyritic material could be transformed into quantitative information for an assessment of acidification risk and distribution of residual heavy metal contamination based on an artificial mixture experiment. The unmixing of the second year images allowed identification of secondary minerals of pyrite as indicators of pyrite oxidation and associated acidification.

Research on marine and freshwater fish identification model based on hyper-spectral imaging technology

NASA Astrophysics Data System (ADS)

Fu, Yan; Guo, Pei-yuan; Xiang, Ling-zi; Bao, Man; Chen, Xing-hai

2013-08-01

With the gradually mature of hyper spectral image technology, the application of the meat nondestructive detection and recognition has become one of the current research focuses. This paper for the study of marine and freshwater fish by the pre-processing and feature extraction of the collected spectral curve data, combined with BP network structure and LVQ network structure, a predictive model of hyper spectral image data of marine and freshwater fish has been initially established and finally realized the qualitative analysis and identification of marine and freshwater fish quality. The results of this study show that hyper spectral imaging technology combined with the BP and LVQ Artificial Neural Network Model can be used for the identification of marine and freshwater fish detection. Hyper-spectral data acquisition can be carried out without any pretreatment of the samples, thus hyper-spectral imaging technique is the lossless, high- accuracy and rapid detection method for quality of fish. In this study, only 30 samples are used for the exploratory qualitative identification of research, although the ideal study results are achieved, we will further increase the sample capacity to take the analysis of quantitative identification and verify the feasibility of this theory.

Four Forms of the Fourier Transform - for Freshmen, using Matlab

NASA Astrophysics Data System (ADS)

Simons, F. J.; Maloof, A. C.

2016-12-01

In 2015, a Fall "Freshman Seminar" at Princeton University (http://geoweb.princeton.edu/people/simons/FRS-SESC.html) taught students to combine field observations of the natural world with quantitative modeling and interpretation, to answer questions like: "How have Earth and human histories been recorded in the geology of Princeton, the Catskills, France and Spain?" (where we took the students on a data-gathering field trip during Fall Break), and "What experiments and analysis can a first-year (possibly non-future-major) do to query such archives of the past?" In the classroom, through problem sets, and around campus, students gained practical experience collecting geological and geophysical data in a geographic context, and analyzing these data using statistical techniques such as regression, time-series and image analysis, with the programming language Matlab. In this presentation I will detail how we instilled basic Matlab skills for quantitative geoscience data analysis through a 6-week progression of topics and exercises. In the 6 weeks after the Fall Break trip, we strengthened these competencies to make our students fully proficient for further learning, as evidenced by their end-of-term independent research work.The particular case study is focused on introducing power-spectral analysis to Freshmen, in a way that even the least quantitative among them could functionally understand. Not counting (0) "inspection", the four ways by which we have successfully instilled the concept of power-spectral analysis in a hands-on fashion are (1) "correlation", (2) "inversion", (3) "stacking", and formal (4) "Fourier transformation". These four provide the main "mappings". Along the way, of course, we also make sure that the students understand that "power-spectral density estimation" is not the same as "Fourier transformation", nor that every Fourier transform has to be "Fast". Hence, concepts from analysis-of-variance techniques, regression, and hypothesis testing, arise in this context, and will be discussed.

Interpretation of aeromagnetic data over Abeokuta and its environs, Southwest Nigeria, using spectral analysis (Fourier transform technique)

NASA Astrophysics Data System (ADS)

Olurin, Oluwaseun T.; Ganiyu, Saheed A.; Hammed, Olaide S.; Aluko, Taiwo J.

2016-10-01

This study presents the results of spectral analysis of magnetic data over Abeokuta area, Southwestern Nigeria, using fast Fourier transform (FFT) in Microsoft Excel. The study deals with the quantitative interpretation of airborne magnetic data (Sheet No. 260), which was conducted by the Nigerian Geological Survey Agency in 2009. In order to minimise aliasing error, the aeromagnetic data was gridded at spacing of 1 km. Spectral analysis technique was used to estimate the magnetic basement depth distributed at two levels. The result of the interpretation shows that the magnetic sources are mainly distributed at two levels. The shallow sources (minimum depth) range in depth from 0.103 to 0.278 km below ground level and are inferred to be due to intrusions within the region. The deeper sources (maximum depth) range in depth from 2.739 to 3.325 km below ground and are attributed to the underlying basement.

Spectral analysis of the He-enriched sdO-star HD 127493

NASA Astrophysics Data System (ADS)

Dorsch, Matti; Latour, Marilyn; Heber, Ulrich

2018-02-01

The bright sdO star HD127493 is known to be of mixed H/He composition and excellent archival spectra covering both optical and ultraviolet ranges are available. UV spectra play a key role as they give access to many chemical species that do not show spectral lines in the optical, such as iron and nickel. This encouraged the quantitative spectral analysis of this prototypical mixed H/He composition sdO star. We determined atmospheric parameters for HD127493 in addition to the abundance of C, N, O, Si, S, Fe, and Ni in the atmosphere using non-LTE model atmospheres calculated with TLUSTY/SYNSPEC. A comparison between the parallax distance measured by Hipparcos and the derived spectroscopic distance indicate that the derived atmospheric parameters are realistic. From our metal abundance analysis, we find a strong CNO signature and enrichment in iron and nickel.

Method for accurate quantitation of background tissue optical properties in the presence of emission from a strong fluorescence marker

NASA Astrophysics Data System (ADS)

Bravo, Jaime; Davis, Scott C.; Roberts, David W.; Paulsen, Keith D.; Kanick, Stephen C.

2015-03-01

Quantification of targeted fluorescence markers during neurosurgery has the potential to improve and standardize surgical distinction between normal and cancerous tissues. However, quantitative analysis of marker fluorescence is complicated by tissue background absorption and scattering properties. Correction algorithms that transform raw fluorescence intensity into quantitative units, independent of absorption and scattering, require a paired measurement of localized white light reflectance to provide estimates of the optical properties. This study focuses on the unique problem of developing a spectral analysis algorithm to extract tissue absorption and scattering properties from white light spectra that contain contributions from both elastically scattered photons and fluorescence emission from a strong fluorophore (i.e. fluorescein). A fiber-optic reflectance device was used to perform measurements in a small set of optical phantoms, constructed with Intralipid (1% lipid), whole blood (1% volume fraction) and fluorescein (0.16-10 μg/mL). Results show that the novel spectral analysis algorithm yields accurate estimates of tissue parameters independent of fluorescein concentration, with relative errors of blood volume fraction, blood oxygenation fraction (BOF), and the reduced scattering coefficient (at 521 nm) of <7%, <1%, and <22%, respectively. These data represent a first step towards quantification of fluorescein in tissue in vivo.

MEM spectral analysis for predicting influenza epidemics in Japan.

PubMed

Sumi, Ayako; Kamo, Ken-ichi

2012-03-01

The prediction of influenza epidemics has long been the focus of attention in epidemiology and mathematical biology. In this study, we tested whether time series analysis was useful for predicting the incidence of influenza in Japan. The method of time series analysis we used consists of spectral analysis based on the maximum entropy method (MEM) in the frequency domain and the nonlinear least squares method in the time domain. Using this time series analysis, we analyzed the incidence data of influenza in Japan from January 1948 to December 1998; these data are unique in that they covered the periods of pandemics in Japan in 1957, 1968, and 1977. On the basis of the MEM spectral analysis, we identified the periodic modes explaining the underlying variations of the incidence data. The optimum least squares fitting (LSF) curve calculated with the periodic modes reproduced the underlying variation of the incidence data. An extension of the LSF curve could be used to predict the incidence of influenza quantitatively. Our study suggested that MEM spectral analysis would allow us to model temporal variations of influenza epidemics with multiple periodic modes much more effectively than by using the method of conventional time series analysis, which has been used previously to investigate the behavior of temporal variations in influenza data.

Customized Consensus Spectral Library Building for Untargeted Quantitative Metabolomics Analysis with Data Independent Acquisition Mass Spectrometry and MetaboDIA Workflow.

PubMed

Chen, Gengbo; Walmsley, Scott; Cheung, Gemmy C M; Chen, Liyan; Cheng, Ching-Yu; Beuerman, Roger W; Wong, Tien Yin; Zhou, Lei; Choi, Hyungwon

2017-05-02

Data independent acquisition-mass spectrometry (DIA-MS) coupled with liquid chromatography is a promising approach for rapid, automatic sampling of MS/MS data in untargeted metabolomics. However, wide isolation windows in DIA-MS generate MS/MS spectra containing a mixed population of fragment ions together with their precursor ions. This precursor-fragment ion map in a comprehensive MS/MS spectral library is crucial for relative quantification of fragment ions uniquely representative of each precursor ion. However, existing reference libraries are not sufficient for this purpose since the fragmentation patterns of small molecules can vary in different instrument setups. Here we developed a bioinformatics workflow called MetaboDIA to build customized MS/MS spectral libraries using a user's own data dependent acquisition (DDA) data and to perform MS/MS-based quantification with DIA data, thus complementing conventional MS1-based quantification. MetaboDIA also allows users to build a spectral library directly from DIA data in studies of a large sample size. Using a marine algae data set, we show that quantification of fragment ions extracted with a customized MS/MS library can provide as reliable quantitative data as the direct quantification of precursor ions based on MS1 data. To test its applicability in complex samples, we applied MetaboDIA to a clinical serum metabolomics data set, where we built a DDA-based spectral library containing consensus spectra for 1829 compounds. We performed fragment ion quantification using DIA data using this library, yielding sensitive differential expression analysis.

A quantitative analysis of the impact of wind turbines on operational Doppler weather radar data

NASA Astrophysics Data System (ADS)

Norin, L.

2015-02-01

In many countries wind turbines are rapidly growing in numbers as the demand for energy from renewable sources increases. The continued deployment of wind turbines can, however, be problematic for many radar systems, which are easily disturbed by turbines located in the radar line of sight. Wind turbines situated in the vicinity of Doppler weather radars can lead to erroneous precipitation estimates as well as to inaccurate wind and turbulence measurements. This paper presents a quantitative analysis of the impact of a wind farm, located in southeastern Sweden, on measurements from a nearby Doppler weather radar. The analysis is based on 6 years of operational radar data. In order to evaluate the impact of the wind farm, average values of all three spectral moments (the radar reflectivity factor, absolute radial velocity, and spectrum width) of the nearby Doppler weather radar were calculated, using data before and after the construction of the wind farm. It is shown that all spectral moments, from a large area at and downrange from the wind farm, were impacted by the wind turbines. It was also found that data from radar cells far above the wind farm (near 3 km altitude) were affected by the wind farm. It is shown that this in part can be explained by detection by the radar sidelobes and by scattering off increased levels of dust and turbulence. In a detailed analysis, using data from a single radar cell, frequency distributions of all spectral moments were used to study the competition between the weather signal and wind turbine clutter. It is shown that, when weather echoes give rise to higher reflectivity values than those of the wind farm, the negative impact of the wind turbines is greatly reduced for all spectral moments.

A quantitative analysis of the impact of wind turbines on operational Doppler weather radar data

NASA Astrophysics Data System (ADS)

Norin, L.

2014-08-01

In many countries wind turbines are rapidly growing in numbers as the demand for energy from renewable sources increases. The continued deployment of wind turbines can, however, be problematic for many radar systems, which are easily disturbed by turbines located in radar line-of-sight. Wind turbines situated in the vicinity of Doppler weather radars can lead to erroneous precipitation estimates as well as to inaccurate wind- and turbulence measurements. This paper presents a quantitative analysis of the impact of a wind farm, located in southeastern Sweden, on measurements from a nearby Doppler weather radar. The analysis is based on six years of operational radar data. In order to evaluate the impact of the wind farm, average values of all three spectral moments (the radar reflectivity factor, absolute radial velocity, and spectrum width) of the nearby Doppler weather radar were calculated, using data before and after the construction of the wind farm. It is shown that all spectral moments, from a large area at and downrange from the wind farm, were impacted by the wind turbines. It was also found that data from radar cells far above the wind farm (near 3 km altitude) were affected by the wind farm. We show that this is partly explained by changes in the atmospheric refractive index, bending the radar beams closer to the ground. In a detailed analysis, using data from a single radar cell, frequency distributions of all spectral moments were used to study the competition between the weather signal and wind turbine clutter. We show that when weather echoes give rise to higher reflectivity values than that of the wind farm, the negative impact of the wind turbines disappears for all spectral moments.

Laser-induced plasma characterization through self-absorption quantification

NASA Astrophysics Data System (ADS)

Hou, JiaJia; Zhang, Lei; Zhao, Yang; Yan, Xingyu; Ma, Weiguang; Dong, Lei; Yin, Wangbao; Xiao, Liantuan; Jia, Suotang

2018-07-01

A self-absorption quantification method is proposed to quantify the self-absorption degree of spectral lines, in which plasma characteristics including electron temperature, elemental concentration ratio, and absolute species number density can be deduced directly. Since there is no spectral intensity involved in the calculation, the analysis results are independent of the self-absorption effects and the additional spectral efficiency calibration is not required. In order to evaluate the practicality, the limitation for application and the precision of this method are also discussed. Experimental results of aluminum-lithium alloy prove that the proposed method is qualified to realize semi-quantitative measurements and fast plasma characteristics diagnostics.

Spectroscopy by joint spectral and time domain optical coherence tomography

NASA Astrophysics Data System (ADS)

Szkulmowski, Maciej; Tamborski, Szymon; Wojtkowski, Maciej

2015-03-01

We present the methodology for spectroscopic examination of absorbing media being the combination of Spectral Optical Coherence Tomography and Fourier Transform Spectroscopy. The method bases on the joint Spectral and Time OCT computational scheme and simplifies data analysis procedure as compared to the mostly used windowing-based Spectroscopic OCT methods. The proposed experimental setup is self-calibrating in terms of wavelength-pixel assignment. The performance of the method in measuring absorption spectrum was checked with the use of the reflecting phantom filled with the absorbing agent (indocyanine green). The results show quantitative accordance with the controlled exact results provided by the reference method.

Breath analysis with broadly tunable quantum cascade lasers.

PubMed

Wörle, Katharina; Seichter, Felicia; Wilk, Andreas; Armacost, Chris; Day, Tim; Godejohann, Matthias; Wachter, Ulrich; Vogt, Josef; Radermacher, Peter; Mizaikoff, Boris

2013-03-05

With the availability of broadly tunable external cavity quantum cascade lasers (EC-QCLs), particularly bright mid-infrared (MIR; 3-20 μm) light sources are available offering high spectral brightness along with an analytically relevant spectral tuning range of >2 μm. Accurate isotope ratio determination of (12)CO2 and (13)CO2 in exhaled breath is of critical importance in the field of breath analysis, which may be addressed via measurements in the MIR spectral regime. Here, we combine for the first time an EC-QCL tunable across the (12)CO2/(13)CO2 spectral band with a miniaturized hollow waveguide gas cell for quantitatively determining the (12)CO2/(13)CO2 ratio within the exhaled breath of mice. Due to partially overlapping spectral features, these studies are augmented by appropriate multivariate data evaluation and calibration techniques based on partial least-squares regression along with optimized data preprocessing. Highly accurate determinations of the isotope ratio within breath samples collected from a mouse intensive care unit validated via hyphenated gas chromatography-mass spectrometry confirm the viability of IR-HWG-EC-QCL sensing techniques for isotope-selective exhaled breath analysis.

[Review of digital ground object spectral library].

PubMed

Zhou, Xiao-Hu; Zhou, Ding-Wu

2009-06-01

A higher spectral resolution is the main direction of developing remote sensing technology, and it is quite important to set up the digital ground object reflectance spectral database library, one of fundamental research fields in remote sensing application. Remote sensing application has been increasingly relying on ground object spectral characteristics, and quantitative analysis has been developed to a new stage. The present article summarized and systematically introduced the research status quo and development trend of digital ground object reflectance spectral libraries at home and in the world in recent years. Introducing the spectral libraries has been established, including desertification spectral database library, plants spectral database library, geological spectral database library, soil spectral database library, minerals spectral database library, cloud spectral database library, snow spectral database library, the atmosphere spectral database library, rocks spectral database library, water spectral database library, meteorites spectral database library, moon rock spectral database library, and man-made materials spectral database library, mixture spectral database library, volatile compounds spectral database library, and liquids spectral database library. In the process of establishing spectral database libraries, there have been some problems, such as the lack of uniform national spectral database standard and uniform standards for the ground object features as well as the comparability between different databases. In addition, data sharing mechanism can not be carried out, etc. This article also put forward some suggestions on those problems.

Quantitative Infrared Spectroscopy in Challenging Environments: Applications to Passive Remote Sensing and Process Monitoring

DTIC Science & Technology

2012-12-01

IR remote sensing o ers a measurement method to detect gaseous species in the outdoor environment. Two major obstacles limit the application of this... method in quantitative analysis : (1) the e ect of both temperature and concentration on the measured spectral intensities and (2) the di culty and...crucial. In this research, particle swarm optimization, a population- based optimization method was applied. Digital ltering and wavelet processing methods

Automating spectral unmixing of AVIRIS data using convex geometry concepts

NASA Technical Reports Server (NTRS)

Boardman, Joseph W.

1993-01-01

Spectral mixture analysis, or unmixing, has proven to be a useful tool in the semi-quantitative interpretation of AVIRIS data. Using a linear mixing model and a set of hypothesized endmember spectra, unmixing seeks to estimate the fractional abundance patterns of the various materials occurring within the imaged area. However, the validity and accuracy of the unmixing rest heavily on the 'user-supplied' set of endmember spectra. Current methods for emdmember determination are the weak link in the unmixing chain.

Image velocimetry and spectral analysis enable quantitative characterization of larval zebrafish gut motility.

PubMed

Ganz, J; Baker, R P; Hamilton, M K; Melancon, E; Diba, P; Eisen, J S; Parthasarathy, R

2018-05-02

Normal gut function requires rhythmic and coordinated movements that are affected by developmental processes, physical and chemical stimuli, and many debilitating diseases. The imaging and characterization of gut motility, especially regarding periodic, propagative contractions driving material transport, are therefore critical goals. Previous image analysis approaches have successfully extracted properties related to the temporal frequency of motility modes, but robust measures of contraction magnitude, especially from in vivo image data, remain challenging to obtain. We developed a new image analysis method based on image velocimetry and spectral analysis that reveals temporal characteristics such as frequency and wave propagation speed, while also providing quantitative measures of the amplitude of gut motion. We validate this approach using several challenges to larval zebrafish, imaged with differential interference contrast microscopy. Both acetylcholine exposure and feeding increase frequency and amplitude of motility. Larvae lacking enteric nervous system gut innervation show the same average motility frequency, but reduced and less variable amplitude compared to wild types. Our image analysis approach enables insights into gut dynamics in a wide variety of developmental and physiological contexts and can also be extended to analyze other types of cell movements. © 2018 John Wiley & Sons Ltd.

Spectral imaging: principles and applications.

PubMed

Garini, Yuval; Young, Ian T; McNamara, George

2006-08-01

Spectral imaging extends the capabilities of biological and clinical studies to simultaneously study multiple features such as organelles and proteins qualitatively and quantitatively. Spectral imaging combines two well-known scientific methodologies, namely spectroscopy and imaging, to provide a new advantageous tool. The need to measure the spectrum at each point of the image requires combining dispersive optics with the more common imaging equipment, and introduces constrains as well. The principles of spectral imaging and a few representative applications are described. Spectral imaging analysis is necessary because the complex data structure cannot be analyzed visually. A few of the algorithms are discussed with emphasis on the usage for different experimental modes (fluorescence and bright field). Finally, spectral imaging, like any method, should be evaluated in light of its advantages to specific applications, a selection of which is described. Spectral imaging is a relatively new technique and its full potential is yet to be exploited. Nevertheless, several applications have already shown its potential. (c) 2006 International Society for Analytical Cytology.

Quantitative, spectrally-resolved intraoperative fluorescence imaging

PubMed Central

Valdés, Pablo A.; Leblond, Frederic; Jacobs, Valerie L.; Wilson, Brian C.; Paulsen, Keith D.; Roberts, David W.

2012-01-01

Intraoperative visual fluorescence imaging (vFI) has emerged as a promising aid to surgical guidance, but does not fully exploit the potential of the fluorescent agents that are currently available. Here, we introduce a quantitative fluorescence imaging (qFI) approach that converts spectrally-resolved data into images of absolute fluorophore concentration pixel-by-pixel across the surgical field of view (FOV). The resulting estimates are linear, accurate, and precise relative to true values, and spectral decomposition of multiple fluorophores is also achieved. Experiments with protoporphyrin IX in a glioma rodent model demonstrate in vivo quantitative and spectrally-resolved fluorescence imaging of infiltrating tumor margins for the first time. Moreover, we present images from human surgery which detect residual tumor not evident with state-of-the-art vFI. The wide-field qFI technique has broad implications for intraoperative surgical guidance because it provides near real-time quantitative assessment of multiple fluorescent biomarkers across the operative field. PMID:23152935

[Study of Cervical Exfoliated Cell's DNA Quantitative Analysis Based on Multi-Spectral Imaging Technology].

PubMed

Wu, Zheng; Zeng, Li-bo; Wu, Qiong-shui

2016-02-01

The conventional cervical cancer screening methods mainly include TBS (the bethesda system) classification method and cellular DNA quantitative analysis, however, by using multiple staining method in one cell slide, which is staining the cytoplasm with Papanicolaou reagent and the nucleus with Feulgen reagent, the study of achieving both two methods in the cervical cancer screening at the same time is still blank. Because the difficulty of this multiple staining method is that the absorbance of the non-DNA material may interfere with the absorbance of DNA, so that this paper has set up a multi-spectral imaging system, and established an absorbance unmixing model by using multiple linear regression method based on absorbance's linear superposition character, and successfully stripped out the absorbance of DNA to run the DNA quantitative analysis, and achieved the perfect combination of those two kinds of conventional screening method. Through a series of experiment we have proved that between the absorbance of DNA which is calculated by the absorbance unmixxing model and the absorbance of DNA which is measured there is no significant difference in statistics when the test level is 1%, also the result of actual application has shown that there is no intersection between the confidence interval of the DNA index of the tetraploid cells which are screened by using this paper's analysis method when the confidence level is 99% and the DNA index's judging interval of cancer cells, so that the accuracy and feasibility of the quantitative DNA analysis with multiple staining method expounded by this paper have been verified, therefore this analytical method has a broad application prospect and considerable market potential in early diagnosis of cervical cancer and other cancers.

Analysis of bias voltage dependent spectral response in Ga0.51In0.49P/Ga0.99In0.01As/Ge triple junction solar cell

NASA Astrophysics Data System (ADS)

Sogabe, Tomah; Ogura, Akio; Okada, Yoshitaka

2014-02-01

Spectral response measurement plays great role in characterizing solar cell device because it directly reflects the efficiency by which the device converts the sunlight into an electrical current. Based on the spectral response results, the short circuit current of each subcell can be quantitatively determined. Although spectral response dependence on wavelength, i.e., the well-known external quantum efficiency (EQE), has been widely used in characterizing multijunction solar cell and has been well interpreted, detailed analysis of spectral response dependence on bias voltage (SR -Vbias) has not been reported so far. In this work, we have performed experimental and numerical studies on the SR -Vbias for Ga0.51In0.49P/Ga0.99In0.01As/Ge triple junction solar cell. Phenomenological description was given to clarify the mechanism of operation matching point variation in SR -Vbias measurements. The profile of SR-Vbias curve was explained in detail by solving the coupled two-diode current-voltage characteristic transcend formula for each subcell.

Birefringence measurement of retinal nerve fiber layer using polarization-sensitive spectral domain optical coherence tomography with Jones matrix based analysis

NASA Astrophysics Data System (ADS)

Yamanari, Masahiro; Miura, Masahiro; Makita, Shuichi; Yatagai, Toyohiko; Yasuno, Yoshiaki

2007-02-01

Birefringence of retinal nerve fiber layer is measured by polarization-sensitive spectral domain optical coherence tomography using the B-scan-oriented polarization modulation method. Birefringence of the optical fiber and the cornea is compensated by Jones matrix based analysis. Three-dimensional phase retardation map around the optic nerve head and en-face phase retardation map of the retinal nerve fiber layer are shown. Unlike scanning laser polarimetry, our system can measure the phase retardation quantitatively without using bow-tie pattern of the birefringence in the macular region, which enables diagnosis of glaucoma even if the patients have macular disease.

3-D interactive visualisation tools for Hi spectral line imaging

NASA Astrophysics Data System (ADS)

van der Hulst, J. M.; Punzo, D.; Roerdink, J. B. T. M.

2017-06-01

Upcoming HI surveys will deliver such large datasets that automated processing using the full 3-D information to find and characterize HI objects is unavoidable. Full 3-D visualization is an essential tool for enabling qualitative and quantitative inspection and analysis of the 3-D data, which is often complex in nature. Here we present SlicerAstro, an open-source extension of 3DSlicer, a multi-platform open source software package for visualization and medical image processing, which we developed for the inspection and analysis of HI spectral line data. We describe its initial capabilities, including 3-D filtering, 3-D selection and comparative modelling.

Pansharpening on the Narrow Vnir and SWIR Spectral Bands of SENTINEL-2

NASA Astrophysics Data System (ADS)

Vaiopoulos, A. D.; Karantzalos, K.

2016-06-01

In this paper results from the evaluation of several state-of-the-art pansharpening techniques are presented for the VNIR and SWIR bands of Sentinel-2. A procedure for the pansharpening is also proposed which aims at respecting the closest spectral similarities between the higher and lower resolution bands. The evaluation included 21 different fusion algorithms and three evaluation frameworks based both on standard quantitative image similarity indexes and qualitative evaluation from remote sensing experts. The overall analysis of the evaluation results indicated that remote sensing experts disagreed with the outcomes and method ranking from the quantitative assessment. The employed image quality similarity indexes and quantitative evaluation framework based on both high and reduced resolution data from the literature didn't manage to highlight/evaluate mainly the spatial information that was injected to the lower resolution images. Regarding the SWIR bands none of the methods managed to deliver significantly better results than a standard bicubic interpolation on the original low resolution bands.

Simulation of UV atomic radiation for application in exhaust plume spectrometry

NASA Astrophysics Data System (ADS)

Wallace, T. L.; Powers, W. T.; Cooper, A. E.

1993-06-01

Quantitative analysis of exhaust plume spectral data has long been a goal of developers of advanced engine health monitoring systems which incorporate optical measurements of rocket exhaust constituents. Discussed herein is the status of present efforts to model and predict atomic radiation spectra and infer free-atom densities from emission/absorption measurements as part of the Optical Plume Anomaly Detection (OPAD) program at Marshall Space Flight Center (MSFC). A brief examination of the mathematical formalism is provided in the context of predicting radiation from the Mach disk region of the SSME exhaust flow at nominal conditions during ground level testing at MSFC. Computational results are provided for Chromium and Copper at selected transitions which indicate a strong dependence upon broadening parameter values determining the absorption-emission line shape. Representative plots of recent spectral data from the Stennis Space Center (SSC) Diagnostic Test Facility (DTF) rocket engine are presented and compared to numerical results from the present self-absorbing model; a comprehensive quantitative analysis will be reported at a later date.

Cardiac reserve during weightlessness simulation and shuttle flight

NASA Technical Reports Server (NTRS)

Goldberger, A. L.

1985-01-01

Bedrest deconditioning is suspected to reduce cardiac function. However, quantitation of subtle decreases in cardiac reserve may be difficult. Normal subjects show considerable variability in heart rate response, reflected by a relatively broadband interbeat interval power spectrum. We hypothesized that the deconditioning effects of bedrest would induce narrowing of this spectrum, reflecting a reduction in the autonomically-modulated variability in heart rate. Ten aerobically conditioned men (average 35-50 years) underwent orthostatic tolerance testing with lower body negative pressure pre-bedrest and after 10 days of bedrest, while on placebo and after intravenous atropine. Spectra were derived by Fourier analysis of 128 interbeat interval data sets from subjects with sufficient numbers of beats during matched periods of the protocol. Data suggest that atropine unmasks the deconditioning effect of bedrest in athletic men, evidenced by a reduction in interbeat interval spectral power compared with placebo. Spectral analysis offers a new means of quantitating the effects of bedrest deconditioning and autonomic perturbations on cardiac dynamics.

Quantitative analysis of glycated albumin in serum based on ATR-FTIR spectrum combined with SiPLS and SVM.

PubMed

Li, Yuanpeng; Li, Fucui; Yang, Xinhao; Guo, Liu; Huang, Furong; Chen, Zhenqiang; Chen, Xingdan; Zheng, Shifu

2018-08-05

A rapid quantitative analysis model for determining the glycated albumin (GA) content based on Attenuated total reflectance (ATR)-Fourier transform infrared spectroscopy (FTIR) combining with linear SiPLS and nonlinear SVM has been developed. Firstly, the real GA content in human serum was determined by GA enzymatic method, meanwhile, the ATR-FTIR spectra of serum samples from the population of health examination were obtained. The spectral data of the whole spectra mid-infrared region (4000-600 cm -1 ) and GA's characteristic region (1800-800 cm -1 ) were used as the research object of quantitative analysis. Secondly, several preprocessing steps including first derivative, second derivative, variable standardization and spectral normalization, were performed. Lastly, quantitative analysis regression models were established by using SiPLS and SVM respectively. The SiPLS modeling results are as follows: root mean square error of cross validation (RMSECV T ) = 0.523 g/L, calibration coefficient (R C ) = 0.937, Root Mean Square Error of Prediction (RMSEP T ) = 0.787 g/L, and prediction coefficient (R P ) = 0.938. The SVM modeling results are as follows: RMSECV T  = 0.0048 g/L, R C  = 0.998, RMSEP T  = 0.442 g/L, and R p  = 0.916. The results indicated that the model performance was improved significantly after preprocessing and optimization of characteristic regions. While modeling performance of nonlinear SVM was considerably better than that of linear SiPLS. Hence, the quantitative analysis model for GA in human serum based on ATR-FTIR combined with SiPLS and SVM is effective. And it does not need sample preprocessing while being characterized by simple operations and high time efficiency, providing a rapid and accurate method for GA content determination. Copyright © 2018 Elsevier B.V. All rights reserved.

Mapping asphalt pavement aging and condition using multiple endmember spectral mixture analysis in Beijing, China

NASA Astrophysics Data System (ADS)

Pan, Yifan; Zhang, Xianfeng; Tian, Jie; Jin, Xu; Luo, Lun; Yang, Ke

2017-01-01

Asphalt road reflectance spectra change as pavement ages. This provides the possibility for remote sensing to be used to monitor a change in asphalt pavement conditions. However, the relatively narrow geometry of roads and the relatively coarse spatial resolution of remotely sensed imagery result in mixtures between pavement and adjacent landcovers (e.g., vegetation, buildings, and soil), increasing uncertainties in spectral analysis. To overcome this problem, multiple endmember spectral mixture analysis (MESMA) was used to map the asphalt pavement condition using Worldview-2 satellite imagery in this study. Based on extensive field investigation and in situ measurements, aged asphalt pavements were categorized into four stages-preliminarily aged, moderately aged, heavily aged, and distressed. The spectral characteristics in the first three stages were further analyzed, and a MESMA unmixing analysis was conducted to map these three kinds of pavement conditions from the Worldview-2 image. The results showed that the road pavement conditions could be detected well and mapped with an overall accuracy of 81.71% and Kappa coefficient of 0.77. Finally, a quantitative assessment of the pavement conditions for each road segment in this study area was conducted to inform road maintenance management.

Quantitative photoacoustic characterization of blood clot in blood: A mechanobiological assessment through spectral information

NASA Astrophysics Data System (ADS)

Biswas, Deblina; Vasudevan, Srivathsan; Chen, George C. K.; Sharma, Norman

2017-02-01

Formation of blood clots, called thrombus, can happen due to hyper-coagulation of blood. Thrombi, while moving through blood vessels can impede blood flow, an important criterion for many critical diseases like deep vein thrombosis and heart attacks. Understanding mechanical properties of clot formation is vital for assessment of severity of thrombosis and proper treatment. However, biomechanics of thrombus is less known to clinicians and not very well investigated. Photoacoustic (PA) spectral response, a non-invasive technique, is proposed to investigate the mechanism of formation of blood clots through elasticity and also differentiate clots from blood. Distinct shift (increase in frequency) of the PA response dominant frequency during clot formation is reported. In addition, quantitative differentiation of blood clots from blood has been achieved through parameters like dominant frequency and spectral energy of PA spectral response. Nearly twofold increases in dominant frequency in blood clots compared to blood were found in the PA spectral response. Significant changes in energy also help in quantitatively differentiating clots from blood, in the blood. Our results reveal that increase in density during clot formation is reflected in the PA spectral response, a significant step towards understanding the mechanobiology of thrombus formation. Hence, the proposed tool, in addition to detecting thrombus formation, could reveal mechanical properties of the sample through quantitative photoacoustic spectral parameters.

First results of the observations of trace gases in the Martian atmosphere by the Planetary Fourier Spectrometer onboard the Mars Express

NASA Astrophysics Data System (ADS)

Titov, D. V.; Ignatiev, N.; Formisano, V.; Grassi, D.; Giuranna, M.; Maturilli, A.; Piccioni, G.; Moroz, V. I.; Lellouch, E.; Encrenaz, T.; Pfs Team

High spectral resolution observations of Mars by the PFS/Mars Express provide new insight into the atmospheric composition. Spectral features of atmospheric CO2 and its isotopes at 15, 4.3, 2.7, 1.4 μ m, CO at 4.7 and 2.35 μ m, and H2O at 40, 2.56, and 1.38 μ m as well as solar spectral features are clearly identified in the PFS spectra. HDO spectral details at 3.7 μ m were also tentatively detected. The paper will present qualitative and quantitative analysis of the PFS spectra in the regions of spectral bands of trace gases. Abundance of minor constituents will be determined using complete radiative transfer modeling including possible non-LTE effects. We will also present results of search for other minor species with emphasis on the limb observations that provide higher air mass factor.

Quantitative analysis of aircraft multispectral-scanner data and mapping of water-quality parameters in the James River in Virginia

NASA Technical Reports Server (NTRS)

Johnson, R. W.; Bahn, G. S.

1977-01-01

Statistical analysis techniques were applied to develop quantitative relationships between in situ river measurements and the remotely sensed data that were obtained over the James River in Virginia on 28 May 1974. The remotely sensed data were collected with a multispectral scanner and with photographs taken from an aircraft platform. Concentration differences among water quality parameters such as suspended sediment, chlorophyll a, and nutrients indicated significant spectral variations. Calibrated equations from the multiple regression analysis were used to develop maps that indicated the quantitative distributions of water quality parameters and the dispersion characteristics of a pollutant plume entering the turbid river system. Results from further analyses that use only three preselected multispectral scanner bands of data indicated that regression coefficients and standard errors of estimate were not appreciably degraded compared with results from the 10-band analysis.

Analysis of doxorubicin distribution in MCF-7 cells treated with drug-loaded nanoparticles by combination of two fluorescence-based techniques, confocal spectral imaging and capillary electrophoresis.

PubMed

Gautier, Juliette; Munnier, Emilie; Soucé, Martin; Chourpa, Igor; Douziech Eyrolles, Laurence

2015-05-01

The intracellular distribution of the antiancer drug doxorubicin (DOX) was followed qualitatively by fluorescence confocal spectral imaging (FCSI) and quantitatively by capillary electrophoresis (CE). FCSI permits the localization of the major fluorescent species in cell compartments, with spectral shifts indicating the polarity of the respective environment. However, distinction between drug and metabolites by FCSI is difficult due to their similar fluorochromes, and direct quantification of their fluorescence is complicated by quantum yield variation between different subcellular environments. On the other hand, capillary electrophoresis with fluorescence detection (CE-LIF) is a quantitative method capable of separating doxorubicin and its metabolites. In this paper, we propose a method for determining drug and metabolite concentration in enriched nuclear and cytosolic fractions of cancer cells by CE-LIF, and we compare these data with those of FCSI. Significant differences in the subcellular distribution of DOX are observed between the drug administered as a molecular solution or as a suspension of drug-loaded iron oxide nanoparticles coated with polyethylene glycol. Comparative analysis of the CE-LIF vs FCSI data may lead to a tentative calibration of this latter method in terms of DOX fluorescence quantum yields in the nucleus and more or less polar regions of the cytosol.

Application of surface enhanced Raman scattering and competitive adaptive reweighted sampling on detecting furfural dissolved in transformer oil

NASA Astrophysics Data System (ADS)

Chen, Weigen; Zou, Jingxin; Wan, Fu; Fan, Zhou; Yang, Dingkun

2018-03-01

Detecting the dissolving furfural in mineral oil is an essential technical method to evaluate the ageing condition of oil-paper insulation and the degradation of mechanical properties. Compared with the traditional detection method, Raman spectroscopy is obviously convenient and timesaving in operation. This study explored the method of applying surface enhanced Raman scattering (SERS) on quantitative analysis of the furfural dissolved in oil. Oil solution with different concentration of furfural were prepared and calibrated by high-performance liquid chromatography. Confocal laser Raman spectroscopy (CLRS) and SERS technology were employed to acquire Raman spectral data. Monte Carlo cross validation (MCCV) was used to eliminate the outliers in sample set, then competitive adaptive reweighted sampling (CARS) was developed to select an optimal combination of informative variables that most reflect the chemical properties of concern. Based on selected Raman spectral features, support vector machine (SVM) combined with particle swarm algorithm (PSO) was used to set up a furfural quantitative analysis model. Finally, the generalization ability and prediction precision of the established method were verified by the samples made in lab. In summary, a new spectral method is proposed to quickly detect furfural in oil, which lays a foundation for evaluating the ageing of oil-paper insulation in oil immersed electrical equipment.

An Improved Variational Method for Hyperspectral Image Pansharpening with the Constraint of Spectral Difference Minimization

NASA Astrophysics Data System (ADS)

Huang, Z.; Chen, Q.; Shen, Y.; Chen, Q.; Liu, X.

2017-09-01

Variational pansharpening can enhance the spatial resolution of a hyperspectral (HS) image using a high-resolution panchromatic (PAN) image. However, this technology may lead to spectral distortion that obviously affect the accuracy of data analysis. In this article, we propose an improved variational method for HS image pansharpening with the constraint of spectral difference minimization. We extend the energy function of the classic variational pansharpening method by adding a new spectral fidelity term. This fidelity term is designed following the definition of spectral angle mapper, which means that for every pixel, the spectral difference value of any two bands in the HS image is in equal proportion to that of the two corresponding bands in the pansharpened image. Gradient descent method is adopted to find the optimal solution of the modified energy function, and the pansharpened image can be reconstructed. Experimental results demonstrate that the constraint of spectral difference minimization is able to preserve the original spectral information well in HS images, and reduce the spectral distortion effectively. Compared to original variational method, our method performs better in both visual and quantitative evaluation, and achieves a good trade-off between spatial and spectral information.

Comparison of Grid Nudging and Spectral Nudging Techniques for Dynamical Climate Downscaling within the WRF Model

NASA Astrophysics Data System (ADS)

Fan, X.; Chen, L.; Ma, Z.

2010-12-01

Climate downscaling has been an active research and application area in the past several decades focusing on regional climate studies. Dynamical downscaling, in addition to statistical methods, has been widely used in downscaling as the advanced modern numerical weather and regional climate models emerge. The utilization of numerical models enables that a full set of climate variables are generated in the process of downscaling, which are dynamically consistent due to the constraints of physical laws. While we are generating high resolution regional climate, the large scale climate patterns should be retained. To serve this purpose, nudging techniques, including grid analysis nudging and spectral nudging, have been used in different models. There are studies demonstrating the benefit and advantages of each nudging technique; however, the results are sensitive to many factors such as nudging coefficients and the amount of information to nudge to, and thus the conclusions are controversy. While in a companion work of developing approaches for quantitative assessment of the downscaled climate, in this study, the two nudging techniques are under extensive experiments in the Weather Research and Forecasting (WRF) model. Using the same model provides fair comparability. Applying the quantitative assessments provides objectiveness of comparison. Three types of downscaling experiments were performed for one month of choice. The first type is serving as a base whereas the large scale information is communicated through lateral boundary conditions only; the second is using the grid analysis nudging; and the third is using spectral nudging. Emphases are given to the experiments of different nudging coefficients and nudging to different variables in the grid analysis nudging; while in spectral nudging, we focus on testing the nudging coefficients, different wave numbers on different model levels to nudge.

PyQuant: A Versatile Framework for Analysis of Quantitative Mass Spectrometry Data.

PubMed

Mitchell, Christopher J; Kim, Min-Sik; Na, Chan Hyun; Pandey, Akhilesh

2016-08-01

Quantitative mass spectrometry data necessitates an analytical pipeline that captures the accuracy and comprehensiveness of the experiments. Currently, data analysis is often coupled to specific software packages, which restricts the analysis to a given workflow and precludes a more thorough characterization of the data by other complementary tools. To address this, we have developed PyQuant, a cross-platform mass spectrometry data quantification application that is compatible with existing frameworks and can be used as a stand-alone quantification tool. PyQuant supports most types of quantitative mass spectrometry data including SILAC, NeuCode, (15)N, (13)C, or (18)O and chemical methods such as iTRAQ or TMT and provides the option of adding custom labeling strategies. In addition, PyQuant can perform specialized analyses such as quantifying isotopically labeled samples where the label has been metabolized into other amino acids and targeted quantification of selected ions independent of spectral assignment. PyQuant is capable of quantifying search results from popular proteomic frameworks such as MaxQuant, Proteome Discoverer, and the Trans-Proteomic Pipeline in addition to several standalone search engines. We have found that PyQuant routinely quantifies a greater proportion of spectral assignments, with increases ranging from 25-45% in this study. Finally, PyQuant is capable of complementing spectral assignments between replicates to quantify ions missed because of lack of MS/MS fragmentation or that were omitted because of issues such as spectra quality or false discovery rates. This results in an increase of biologically useful data available for interpretation. In summary, PyQuant is a flexible mass spectrometry data quantification platform that is capable of interfacing with a variety of existing formats and is highly customizable, which permits easy configuration for custom analysis. © 2016 by The American Society for Biochemistry and Molecular Biology, Inc.

High-speed vibrational imaging and spectral analysis of lipid bodies by compound Raman microscopy.

PubMed

Slipchenko, Mikhail N; Le, Thuc T; Chen, Hongtao; Cheng, Ji-Xin

2009-05-28

Cells store excess energy in the form of cytoplasmic lipid droplets. At present, it is unclear how different types of fatty acids contribute to the formation of lipid droplets. We describe a compound Raman microscope capable of both high-speed chemical imaging and quantitative spectral analysis on the same platform. We used a picosecond laser source to perform coherent Raman scattering imaging of a biological sample and confocal Raman spectral analysis at points of interest. The potential of the compound Raman microscope was evaluated on lipid bodies of cultured cells and live animals. Our data indicate that the in vivo fat contains much more unsaturated fatty acids (FAs) than the fat formed via de novo synthesis in 3T3-L1 cells. Furthermore, in vivo analysis of subcutaneous adipocytes and glands revealed a dramatic difference not only in the unsaturation level but also in the thermodynamic state of FAs inside their lipid bodies. Additionally, the compound Raman microscope allows tracking of the cellular uptake of a specific fatty acid and its abundance in nascent cytoplasmic lipid droplets. The high-speed vibrational imaging and spectral analysis capability renders compound Raman microscopy an indispensible analytical tool for the study of lipid-droplet biology.

Detection and analysis of high-temperature events in the BIRD mission

NASA Astrophysics Data System (ADS)

Zhukov, Boris; Briess, Klaus; Lorenz, Eckehard; Oertel, Dieter; Skrbek, Wolfgang

2005-01-01

The primary mission objective of a new small Bi-spectral InfraRed Detection (BIRD) satellite is detection and quantitative analysis of high-temperature events like fires and volcanoes. An absence of saturation in the BIRD infrared channels makes it possible to improve false alarm rejection as well as to retrieve quantitative characteristics of hot targets, including their effective fire temperature, area and the radiative energy release. Examples are given of detection and analysis of wild and coal seam fires, of volcanic activity as well as of oil fires in Iraq. The smallest fires detected by BIRD, which were verified on ground, had an area of 12m2 at daytime and 4m2 at night.

Spectral Electroencephalogram Analysis for the Evaluation of Encephalopathy Grade in Children With Acute Liver Failure.

PubMed

Press, Craig A; Morgan, Lindsey; Mills, Michele; Stack, Cynthia V; Goldstein, Joshua L; Alonso, Estella M; Wainwright, Mark S

2017-01-01

Spectral electroencephalogram analysis is a method for automated analysis of electroencephalogram patterns, which can be performed at the bedside. We sought to determine the utility of spectral electroencephalogram for grading hepatic encephalopathy in children with acute liver failure. Retrospective cohort study. Tertiary care pediatric hospital. Patients between 0 and 18 years old who presented with acute liver failure and were admitted to the PICU. None. Electroencephalograms were analyzed by spectral analysis including total power, relative δ, relative θ, relative α, relative β, θ-to-Δ ratio, and α-to-Δ ratio. Normal values and ranges were first derived using normal electroencephalograms from 70 children of 0-18 years old. Age had a significant effect on each variable measured (p < 0.03). Electroencephalograms from 33 patients with acute liver failure were available for spectral analysis. The median age was 4.3 years, 14 of 33 were male, and the majority had an indeterminate etiology of acute liver failure. Neuroimaging was performed in 26 cases and was normal in 20 cases (77%). The majority (64%) survived, and 82% had a good outcome with a score of 1-3 on the Pediatric Glasgow Outcome Scale-Extended at the time of discharge. Hepatic encephalopathy grade correlated with the qualitative visual electroencephalogram scores assigned by blinded neurophysiologists (rs = 0.493; p < 0.006). Spectral electroencephalogram characteristics varied significantly with the qualitative electroencephalogram classification (p < 0.05). Spectral electroencephalogram variables including relative Δ, relative θ, relative α, θ-to-Δ ratio, and α-to-Δ ratio all significantly varied with the qualitative electroencephalogram (p < 0.025). Moderate to severe hepatic encephalopathy was correlated with a total power of less than or equal to 50% of normal for children 0-3 years old, and with a relative θ of less than or equal to 50% normal for children more than 3 years old (p > 0.05). Spectral electroencephalogram classification correlated with outcome (p < 0.05). Spectral electroencephalogram analysis can be used to evaluate even young patients for hepatic encephalopathy and correlates with outcome. Spectral electroencephalogram may allow improved quantitative and reproducible assessment of hepatic encephalopathy grade in children with acute liver failure.

An integrated workflow for robust alignment and simplified quantitative analysis of NMR spectrometry data.

PubMed

Vu, Trung N; Valkenborg, Dirk; Smets, Koen; Verwaest, Kim A; Dommisse, Roger; Lemière, Filip; Verschoren, Alain; Goethals, Bart; Laukens, Kris

2011-10-20

Nuclear magnetic resonance spectroscopy (NMR) is a powerful technique to reveal and compare quantitative metabolic profiles of biological tissues. However, chemical and physical sample variations make the analysis of the data challenging, and typically require the application of a number of preprocessing steps prior to data interpretation. For example, noise reduction, normalization, baseline correction, peak picking, spectrum alignment and statistical analysis are indispensable components in any NMR analysis pipeline. We introduce a novel suite of informatics tools for the quantitative analysis of NMR metabolomic profile data. The core of the processing cascade is a novel peak alignment algorithm, called hierarchical Cluster-based Peak Alignment (CluPA). The algorithm aligns a target spectrum to the reference spectrum in a top-down fashion by building a hierarchical cluster tree from peak lists of reference and target spectra and then dividing the spectra into smaller segments based on the most distant clusters of the tree. To reduce the computational time to estimate the spectral misalignment, the method makes use of Fast Fourier Transformation (FFT) cross-correlation. Since the method returns a high-quality alignment, we can propose a simple methodology to study the variability of the NMR spectra. For each aligned NMR data point the ratio of the between-group and within-group sum of squares (BW-ratio) is calculated to quantify the difference in variability between and within predefined groups of NMR spectra. This differential analysis is related to the calculation of the F-statistic or a one-way ANOVA, but without distributional assumptions. Statistical inference based on the BW-ratio is achieved by bootstrapping the null distribution from the experimental data. The workflow performance was evaluated using a previously published dataset. Correlation maps, spectral and grey scale plots show clear improvements in comparison to other methods, and the down-to-earth quantitative analysis works well for the CluPA-aligned spectra. The whole workflow is embedded into a modular and statistically sound framework that is implemented as an R package called "speaq" ("spectrum alignment and quantitation"), which is freely available from http://code.google.com/p/speaq/.

[Comparisons and analysis of the spectral response functions' difference between FY-2E's and FY2C's split window channels].

PubMed

Zhang, Yong; Li, Yuan; Rong, Zhi-Guo

2010-06-01

Remote sensors' channel spectral response function (SRF) was one of the key factors to influence the quantitative products' inversion algorithm, accuracy and the geophysical characteristics. Aiming at the adjustments of FY-2E's split window channels' SRF, detailed comparisons between the FY-2E and FY-2C corresponding channels' SRF differences were carried out based on three data collections: the NOAA AVHRR corresponding channels' calibration look up tables, field measured water surface radiance and atmospheric profiles at Lake Qinghai and radiance calculated from the PLANK function within all dynamic range of FY-2E/C. The results showed that the adjustments of FY-2E's split window channels' SRF would result in the spectral range's movements and influence the inversion algorithms of some ground quantitative products. On the other hand, these adjustments of FY-2E SRFs would increase the brightness temperature differences between FY-2E's two split window channels within all dynamic range relative to FY-2C's. This would improve the inversion ability of FY-2E's split window channels.

Quantitative subsurface analysis using frequency modulated thermal wave imaging

NASA Astrophysics Data System (ADS)

Subhani, S. K.; Suresh, B.; Ghali, V. S.

2018-01-01

Quantitative depth analysis of the anomaly with an enhanced depth resolution is a challenging task towards the estimation of depth of the subsurface anomaly using thermography. Frequency modulated thermal wave imaging introduced earlier provides a complete depth scanning of the object by stimulating it with a suitable band of frequencies and further analyzing the subsequent thermal response using a suitable post processing approach to resolve subsurface details. But conventional Fourier transform based methods used for post processing unscramble the frequencies with a limited frequency resolution and contribute for a finite depth resolution. Spectral zooming provided by chirp z transform facilitates enhanced frequency resolution which can further improves the depth resolution to axially explore finest subsurface features. Quantitative depth analysis with this augmented depth resolution is proposed to provide a closest estimate to the actual depth of subsurface anomaly. This manuscript experimentally validates this enhanced depth resolution using non stationary thermal wave imaging and offers an ever first and unique solution for quantitative depth estimation in frequency modulated thermal wave imaging.

Quantitative analysis of titanium concentration using calibration-free laser-induced breakdown spectroscopy (LIBS)

NASA Astrophysics Data System (ADS)

Zaitun; Prasetyo, S.; Suliyanti, M. M.; Isnaeni; Herbani, Y.

2018-03-01

Laser-induced breakdown spectroscopy (LIBS) can be used for quantitative and qualitative analysis. Calibration-free LIBS (CF-LIBS) is a method to quantitatively analyze concentration of elements in a sample in local thermodynamic equilibrium conditions without using available matrix-matched calibration. In this study, we apply CF-LIBS for quantitative analysis of Ti in TiO2 sample. TiO2 powder sample was mixed with polyvinyl alcohol and formed into pellets. An Nd:YAG pulsed laser at a wavelength of 1064 nm was focused onto the sample to generate plasma. The spectrum of plasma was recorded using spectrophotometer then compared to NIST spectral line to determine energy levels and other parameters. The value of plasma temperature obtained using Boltzmann plot is 8127.29 K and electron density from calculation is 2.49×1016 cm-3. Finally, the concentration of Ti in TiO2 sample from this study is 97% that is in proximity with the sample certificate.

[Local Regression Algorithm Based on Net Analyte Signal and Its Application in Near Infrared Spectral Analysis].

PubMed

Zhang, Hong-guang; Lu, Jian-gang

2016-02-01

Abstract To overcome the problems of significant difference among samples and nonlinearity between the property and spectra of samples in spectral quantitative analysis, a local regression algorithm is proposed in this paper. In this algorithm, net signal analysis method(NAS) was firstly used to obtain the net analyte signal of the calibration samples and unknown samples, then the Euclidean distance between net analyte signal of the sample and net analyte signal of calibration samples was calculated and utilized as similarity index. According to the defined similarity index, the local calibration sets were individually selected for each unknown sample. Finally, a local PLS regression model was built on each local calibration sets for each unknown sample. The proposed method was applied to a set of near infrared spectra of meat samples. The results demonstrate that the prediction precision and model complexity of the proposed method are superior to global PLS regression method and conventional local regression algorithm based on spectral Euclidean distance.

Calibration-free quantitative elemental analysis of meteor plasma using reference laser-induced breakdown spectroscopy of meteorite samples

NASA Astrophysics Data System (ADS)

Ferus, Martin; Koukal, Jakub; Lenža, Libor; Srba, Jiří; Kubelík, Petr; Laitl, Vojtěch; Zanozina, Ekaterina M.; Váňa, Pavel; Kaiserová, Tereza; Knížek, Antonín; Rimmer, Paul; Chatzitheodoridis, Elias; Civiš, Svatopluk

2018-03-01

Aims: We aim to analyse real-time Perseid and Leonid meteor spectra using a novel calibration-free (CF) method, which is usually applied in the laboratory for laser-induced breakdown spectroscopic (LIBS) chemical analysis. Methods: Reference laser ablation spectra of specimens of chondritic meteorites were measured in situ simultaneously with a high-resolution laboratory echelle spectrograph and a spectral camera for meteor observation. Laboratory data were subsequently evaluated via the CF method and compared with real meteor emission spectra. Additionally, spectral features related to airglow plasma were compared with the spectra of laser-induced breakdown and electric discharge in the air. Results: We show that this method can be applied in the evaluation of meteor spectral data observed in real time. Specifically, CF analysis can be used to determine the chemical composition of meteor plasma, which, in the case of the Perseid and Leonid meteors analysed in this study, corresponds to that of the C-group of chondrites.

Analysis of protein structures and interactions in complex food by near-infrared spectroscopy. 2. Hydrated gluten.

PubMed

Bruun, Susanne Wrang; Søndergaard, Ib; Jacobsen, Susanne

2007-09-05

Hydrated gluten, treated with various salts, was analyzed by near-infrared (NIR) spectroscopy to assess the ability of this method to reveal protein structure and interaction changes in perturbed food systems. The spectra were pretreated with second-derivative transformation and extended multiplicative signal correction for improving the band resolution and removing physical and quantitative spectral variations. Principal component analysis of the preprocessed spectra showed spectral effects that depended on salt type and concentration. Although both gluten texture and the NIR spectra were little influenced by treatment with salt solutions of low concentrations (0.1-0.2 M), they were significantly and diversely affected by treatment with 1.0 M salt solutions. Compared to hydration in water, hydration in 1.0 M sulfate salts caused spectral effects similar to a drying-out effect, which could be explained by salting-out.

Temporal Variability of Observed and Simulated Hyperspectral Earth Reflectance

NASA Technical Reports Server (NTRS)

Roberts, Yolanda; Pilewskie, Peter; Kindel, Bruce; Feldman, Daniel; Collins, William D.

2012-01-01

The Climate Absolute Radiance and Refractivity Observatory (CLARREO) is a climate observation system designed to study Earth's climate variability with unprecedented absolute radiometric accuracy and SI traceability. Observation System Simulation Experiments (OSSEs) were developed using GCM output and MODTRAN to simulate CLARREO reflectance measurements during the 21st century as a design tool for the CLARREO hyperspectral shortwave imager. With OSSE simulations of hyperspectral reflectance, Feldman et al. [2011a,b] found that shortwave reflectance is able to detect changes in climate variables during the 21st century and improve time-to-detection compared to broadband measurements. The OSSE has been a powerful tool in the design of the CLARREO imager and for understanding the effect of climate change on the spectral variability of reflectance, but it is important to evaluate how well the OSSE simulates the Earth's present-day spectral variability. For this evaluation we have used hyperspectral reflectance measurements from the Scanning Imaging Absorption Spectrometer for Atmospheric Cartography (SCIAMACHY), a shortwave spectrometer that was operational between March 2002 and April 2012. To study the spectral variability of SCIAMACHY-measured and OSSE-simulated reflectance, we used principal component analysis (PCA), a spectral decomposition technique that identifies dominant modes of variability in a multivariate data set. Using quantitative comparisons of the OSSE and SCIAMACHY PCs, we have quantified how well the OSSE captures the spectral variability of Earth?s climate system at the beginning of the 21st century relative to SCIAMACHY measurements. These results showed that the OSSE and SCIAMACHY data sets share over 99% of their total variance in 2004. Using the PCs and the temporally distributed reflectance spectra projected onto the PCs (PC scores), we can study the temporal variability of the observed and simulated reflectance spectra. Multivariate time series analysis of the PC scores using techniques such as Singular Spectrum Analysis (SSA) and Multichannel SSA will provide information about the temporal variability of the dominant variables. Quantitative comparison techniques can evaluate how well the OSSE reproduces the temporal variability observed by SCIAMACHY spectral reflectance measurements during the first decade of the 21st century. PCA of OSSE-simulated reflectance can also be used to study how the dominant spectral variables change on centennial scales for forced and unforced climate change scenarios. To have confidence in OSSE predictions of the spectral variability of hyperspectral reflectance, it is first necessary for us to evaluate the degree to which the OSSE simulations are able to reproduce the Earth?s present-day spectral variability.

[Development of sample pretreatment techniques-rapid detection coupling methods for food security analysis].

PubMed

Huang, Yichun; Ding, Weiwei; Zhang, Zhuomin; Li, Gongke

2013-07-01

This paper summarizes the recent developments of the rapid detection methods for food security, such as sensors, optical techniques, portable spectral analysis, enzyme-linked immunosorbent assay, portable gas chromatograph, etc. Additionally, the applications of these rapid detection methods coupled with sample pretreatment techniques in real food security analysis are reviewed. The coupling technique has the potential to provide references to establish the selective, precise and quantitative rapid detection methods in food security analysis.

Early Oscillation Detection for Hybrid DC/DC Converter Fault Diagnosis

NASA Technical Reports Server (NTRS)

Wang, Bright L.

2011-01-01

This paper describes a novel fault detection technique for hybrid DC/DC converter oscillation diagnosis. The technique is based on principles of feedback control loop oscillation and RF signal modulations, and Is realized by using signal spectral analysis. Real-circuit simulation and analytical study reveal critical factors of the oscillation and indicate significant correlations between the spectral analysis method and the gain/phase margin method. A stability diagnosis index (SDI) is developed as a quantitative measure to accurately assign a degree of stability to the DC/DC converter. This technique Is capable of detecting oscillation at an early stage without interfering with DC/DC converter's normal operation and without limitations of probing to the converter.

Local and Global Gestalt Laws: A Neurally Based Spectral Approach.

PubMed

Favali, Marta; Citti, Giovanna; Sarti, Alessandro

2017-02-01

This letter presents a mathematical model of figure-ground articulation that takes into account both local and global gestalt laws and is compatible with the functional architecture of the primary visual cortex (V1). The local gestalt law of good continuation is described by means of suitable connectivity kernels that are derived from Lie group theory and quantitatively compared with long-range connectivity in V1. Global gestalt constraints are then introduced in terms of spectral analysis of a connectivity matrix derived from these kernels. This analysis performs grouping of local features and individuates perceptual units with the highest salience. Numerical simulations are performed, and results are obtained by applying the technique to a number of stimuli.

Dual energy spectral CT imaging for the evaluation of small hepatocellular carcinoma microvascular invasion.

PubMed

Yang, Chuang-Bo; Zhang, Shuang; Jia, Yong-Jun; Yu, Yong; Duan, Hai-Feng; Zhang, Xi-Rong; Ma, Guang-Ming; Ren, Chenglong; Yu, Nan

2017-10-01

To study the clinical value of dual-energy spectral CT in the quantitative assessment of microvascular invasion of small hepatocellular carcinoma. This study was approved by our ethics committee. 50 patients with small hepatocellular carcinoma who underwent contrast enhanced spectral CT in arterial phase (AP) and portal venous phase (VP) were enrolled. Tumour CT value and iodine concentration (IC) were measured from spectral CT images. The slope of spectral curve, normalized iodine concentration (NIC, to abdominal aorta) and ratio of IC difference between AP and VP (RIC AP-VP : [RIC AP-VP =(IC AP -IC VP )/IC AP ]) were calculated. Tumours were identified as either with or without microvascular invasion based on pathological results. Measurements were statistically compared using independent samples t test. The receiver operating characteristic (ROC) analysis was used to evaluate the diagnostic performance of tumours microvascular invasion assessment. The 70keV images were used to simulate the results of conventional CT scans for comparison. 56 small hepatocellular carcinomas were detected with 37 lesions (Group A) with microvascular invasion and 19 (Group B) without. There were significant differences in IC, NIC and slope in AP and RIC AP-VP between Group A (2.48±0.70mg/ml, 0.23±0.05, 3.39±1.01 and 0.28±0.16) and Group B (1.65±0.47mg/ml, 0.15±0.05, 2.22±0.64 and 0.03±0.24) (all p<0.05). Using 0.188 as the threshold for NIC, one could obtain an area-under-curve (AUC) of 0.87 in ROC to differentiate between tumours with and without microvascular invasion. AUC was 0.71 with CT value at 70keV and improved to 0.81 at 40keV. Dual-energy Spectral CT provides additional quantitative parameters than conventional CT to improve the differentiation between small hepatocellular carcinoma with and without microvascular invasion. Quantitative iodine concentration measurement in spectral CT may be used to provide a new method to improve the evaluation for small hepatocellular carcinoma microvascular invasion. Copyright © 2017 Elsevier B.V. All rights reserved.

Non-invasive, Contrast-enhanced Spectral Imaging of Breast Cancer Signatures in Preclinical Animal Models In vivo

PubMed Central

Ramanujan, V Krishnan; Ren, Songyang; Park, Sangyong; Farkas, Daniel L

2011-01-01

We report here a non-invasive multispectral imaging platform for monitoring spectral reflectance and fluorescence images from primary breast carcinoma and metastatic lymph nodes in preclinical rat model in vivo. The system is built around a monochromator light source and an acousto-optic tunable filter (AOTF) for spectral selection. Quantitative analysis of the measured reflectance profiles in the presence of a widely-used lymphazurin dye clearly demonstrates the capability of the proposed imaging platform to detect tumor-associated spectral signatures in the primary tumors as well as metastatic lymphatics. Tumor-associated changes in vascular oxygenation and interstitial fluid pressure are reasoned to be the physiological sources of the measured reflectance profiles. We also discuss the translational potential of our imaging platform in intra-operative clinical setting. PMID:21572915

Optimization of homonuclear 2D NMR for fast quantitative analysis: application to tropine-nortropine mixtures.

PubMed

Giraudeau, Patrick; Guignard, Nadia; Hillion, Emilie; Baguet, Evelyne; Akoka, Serge

2007-03-12

Quantitative analysis by (1)H NMR is often hampered by heavily overlapping signals that may occur for complex mixtures, especially those containing similar compounds. Bidimensional homonuclear NMR spectroscopy can overcome this difficulty. A thorough review of acquisition and post-processing parameters was carried out to obtain accurate and precise, quantitative 2D J-resolved and DQF-COSY spectra in a much reduced time, thus limiting the spectrometer instabilities in the course of time. The number of t(1) increments was reduced as much as possible, and standard deviation was improved by optimization of spectral width, number of transients, phase cycling and apodization function. Localized polynomial baseline corrections were applied to the relevant chemical shift areas. Our method was applied to tropine-nortropine mixtures. Quantitative J-resolved spectra were obtained in less than 3 min and quantitative DQF-COSY spectra in 12 min, with an accuracy of 3% for J-spectroscopy and 2% for DQF-COSY, and a standard deviation smaller than 1%.

Comparison and evaluation of fusion methods used for GF-2 satellite image in coastal mangrove area

NASA Astrophysics Data System (ADS)

Ling, Chengxing; Ju, Hongbo; Liu, Hua; Zhang, Huaiqing; Sun, Hua

2018-04-01

GF-2 satellite is the highest spatial resolution Remote Sensing Satellite of the development history of China's satellite. In this study, three traditional fusion methods including Brovey, Gram-Schmidt and Color Normalized (CN were used to compare with the other new fusion method NNDiffuse, which used the qualitative assessment and quantitative fusion quality index, including information entropy, variance, mean gradient, deviation index, spectral correlation coefficient. Analysis results show that NNDiffuse method presented the optimum in qualitative and quantitative analysis. It had more effective for the follow up of remote sensing information extraction and forest, wetland resources monitoring applications.

Structures of glycans bound to receptors from saturation transfer difference (STD) NMR spectroscopy: quantitative analysis by using CORCEMA-ST.

PubMed

Enríquez-Navas, Pedro M; Guzzi, Cinzia; Muñoz-García, Juan C; Nieto, Pedro M; Angulo, Jesús

2015-01-01

Glycan-receptor interactions are of fundamental relevance for a large number of biological processes, and their kinetics properties (medium/weak binding affinities) make them appropriated to be studied by ligand observed NMR techniques, among which saturation transfer difference (STD) NMR spectroscopy has been shown to be a very robust and powerful approach. The quantitative analysis of the results from a STD NMR study of a glycan-receptor interaction is essential to be able to translate the resulting spectral intensities into a 3D molecular model of the complex. This chapter describes how to carry out such a quantitative analysis by means of the Complete Relaxation and Conformational Exchange Matrix Approach for STD NMR (CORCEMA-ST), in general terms, and an example of a previous work on an antibody-glycan interaction is also shown.

A sampling framework for incorporating quantitative mass spectrometry data in protein interaction analysis.

PubMed

Tucker, George; Loh, Po-Ru; Berger, Bonnie

2013-10-04

Comprehensive protein-protein interaction (PPI) maps are a powerful resource for uncovering the molecular basis of genetic interactions and providing mechanistic insights. Over the past decade, high-throughput experimental techniques have been developed to generate PPI maps at proteome scale, first using yeast two-hybrid approaches and more recently via affinity purification combined with mass spectrometry (AP-MS). Unfortunately, data from both protocols are prone to both high false positive and false negative rates. To address these issues, many methods have been developed to post-process raw PPI data. However, with few exceptions, these methods only analyze binary experimental data (in which each potential interaction tested is deemed either observed or unobserved), neglecting quantitative information available from AP-MS such as spectral counts. We propose a novel method for incorporating quantitative information from AP-MS data into existing PPI inference methods that analyze binary interaction data. Our approach introduces a probabilistic framework that models the statistical noise inherent in observations of co-purifications. Using a sampling-based approach, we model the uncertainty of interactions with low spectral counts by generating an ensemble of possible alternative experimental outcomes. We then apply the existing method of choice to each alternative outcome and aggregate results over the ensemble. We validate our approach on three recent AP-MS data sets and demonstrate performance comparable to or better than state-of-the-art methods. Additionally, we provide an in-depth discussion comparing the theoretical bases of existing approaches and identify common aspects that may be key to their performance. Our sampling framework extends the existing body of work on PPI analysis using binary interaction data to apply to the richer quantitative data now commonly available through AP-MS assays. This framework is quite general, and many enhancements are likely possible. Fruitful future directions may include investigating more sophisticated schemes for converting spectral counts to probabilities and applying the framework to direct protein complex prediction methods.

Variable selection based near infrared spectroscopy quantitative and qualitative analysis on wheat wet gluten

NASA Astrophysics Data System (ADS)

Lü, Chengxu; Jiang, Xunpeng; Zhou, Xingfan; Zhang, Yinqiao; Zhang, Naiqian; Wei, Chongfeng; Mao, Wenhua

2017-10-01

Wet gluten is a useful quality indicator for wheat, and short wave near infrared spectroscopy (NIRS) is a high performance technique with the advantage of economic rapid and nondestructive test. To study the feasibility of short wave NIRS analyzing wet gluten directly from wheat seed, 54 representative wheat seed samples were collected and scanned by spectrometer. 8 spectral pretreatment method and genetic algorithm (GA) variable selection method were used to optimize analysis. Both quantitative and qualitative model of wet gluten were built by partial least squares regression and discriminate analysis. For quantitative analysis, normalization is the optimized pretreatment method, 17 wet gluten sensitive variables are selected by GA, and GA model performs a better result than that of all variable model, with R2V=0.88, and RMSEV=1.47. For qualitative analysis, automatic weighted least squares baseline is the optimized pretreatment method, all variable models perform better results than those of GA models. The correct classification rates of 3 class of <24%, 24-30%, >30% wet gluten content are 95.45, 84.52, and 90.00%, respectively. The short wave NIRS technique shows potential for both quantitative and qualitative analysis of wet gluten for wheat seed.

Ocean wavenumber estimation from wave-resolving time series imagery

USGS Publications Warehouse

Plant, N.G.; Holland, K.T.; Haller, M.C.

2008-01-01

We review several approaches that have been used to estimate ocean surface gravity wavenumbers from wave-resolving remotely sensed image sequences. Two fundamentally different approaches that utilize these data exist. A power spectral density approach identifies wavenumbers where image intensity variance is maximized. Alternatively, a cross-spectral correlation approach identifies wavenumbers where intensity coherence is maximized. We develop a solution to the latter approach based on a tomographic analysis that utilizes a nonlinear inverse method. The solution is tolerant to noise and other forms of sampling deficiency and can be applied to arbitrary sampling patterns, as well as to full-frame imagery. The solution includes error predictions that can be used for data retrieval quality control and for evaluating sample designs. A quantitative analysis of the intrinsic resolution of the method indicates that the cross-spectral correlation fitting improves resolution by a factor of about ten times as compared to the power spectral density fitting approach. The resolution analysis also provides a rule of thumb for nearshore bathymetry retrievals-short-scale cross-shore patterns may be resolved if they are about ten times longer than the average water depth over the pattern. This guidance can be applied to sample design to constrain both the sensor array (image resolution) and the analysis array (tomographic resolution). ?? 2008 IEEE.

Theory of spectral radiance of pollutants at sea

NASA Technical Reports Server (NTRS)

1978-01-01

Remote measurement of soluble pollutants that change the color of the water in the sea is reported. The sensor is a spectral radiometer that flies over the polluted area and compares its spectral radiance to that of surrounding clean seawater. A quantitative analysis of the concentration of pollutants using the measured radiance of the sea compared to laboratory measurements of reflection and transmission spectra of the pollutants is presented. The quantities involved are defined and means for measuring them are described. The equations for remote sensing with a low-flying aircraft, in which case the absorption and radiance of intervening air is negligible are derived. High-flying aircraft and satellites, in which case the radiance of intervening air is the major problem are applied.

A Spectral Method for Color Quantitation of a Protein Drug Solution.

PubMed

Swartz, Trevor E; Yin, Jian; Patapoff, Thomas W; Horst, Travis; Skieresz, Susan M; Leggett, Gordon; Morgan, Charles J; Rahimi, Kimia; Marhoul, Joseph; Kabakoff, Bruce

2016-01-01

Color is an important quality attribute for biotherapeutics. In the biotechnology industry, a visual method is most commonly utilized for color characterization of liquid drug protein solutions. The color testing method is used for both batch release and on stability testing for quality control. Using that method, an analyst visually determines the color of the sample by choosing the closest matching European Pharmacopeia reference color solution. The requirement to judge the best match makes it a subjective method. Furthermore, the visual method does not capture data on hue or chroma that would allow for improved product characterization and the ability to detect subtle differences between samples. To overcome these challenges, we describe a quantitative method for color determination that greatly reduces the variability in measuring color and allows for a more precise understanding of color differences. Following color industry standards established by International Commission on Illumination, this method converts a protein solution's visible absorption spectra to L*a*b* color space. Color matching is achieved within the L*a*b* color space, a practice that is already widely used in other industries. The work performed here is to facilitate the adoption and transition for the traditional visual assessment method to a quantitative spectral method. We describe here the algorithm used such that the quantitative spectral method correlates with the currently used visual method. In addition, we provide the L*a*b* values for the European Pharmacopeia reference color solutions required for the quantitative method. We have determined these L*a*b* values by gravimetrically preparing and measuring multiple lots of the reference color solutions. We demonstrate that the visual assessment and the quantitative spectral method are comparable using both low- and high-concentration antibody solutions and solutions with varying turbidity. In the biotechnology industry, a visual assessment is the most commonly used method for color characterization, batch release, and stability testing of liquid protein drug solutions. Using this method, an analyst visually determines the color of the sample by choosing the closest match to a standard color series. This visual method can be subjective because it requires an analyst to make a judgment of the best match of color of the sample to the standard color series, and it does not capture data on hue and chroma that would allow for improved product characterization and the ability to detect subtle differences between samples. To overcome these challenges, we developed a quantitative spectral method for color determination that greatly reduces the variability in measuring color and allows for a more precise understanding of color differences. The details of the spectral quantitative method are described. A comparison between the visual assessment method and spectral quantitative method is presented. This study supports the transition to a quantitative spectral method from the visual assessment method for quality testing of protein solutions. © PDA, Inc. 2016.

Quantitative characterization of surface topography using spectral analysis

NASA Astrophysics Data System (ADS)

Jacobs, Tevis D. B.; Junge, Till; Pastewka, Lars

2017-03-01

Roughness determines many functional properties of surfaces, such as adhesion, friction, and (thermal and electrical) contact conductance. Recent analytical models and simulations enable quantitative prediction of these properties from knowledge of the power spectral density (PSD) of the surface topography. The utility of the PSD is that it contains statistical information that is unbiased by the particular scan size and pixel resolution chosen by the researcher. In this article, we first review the mathematical definition of the PSD, including the one- and two-dimensional cases, and common variations of each. We then discuss strategies for reconstructing an accurate PSD of a surface using topography measurements at different size scales. Finally, we discuss detecting and mitigating artifacts at the smallest scales, and computing upper/lower bounds on functional properties obtained from models. We accompany our discussion with virtual measurements on computer-generated surfaces. This discussion summarizes how to analyze topography measurements to reconstruct a reliable PSD. Analytical models demonstrate the potential for tuning functional properties by rationally tailoring surface topography—however, this potential can only be achieved through the accurate, quantitative reconstruction of the PSDs of real-world surfaces.

SaaS Platform for Time Series Data Handling

NASA Astrophysics Data System (ADS)

Oplachko, Ekaterina; Rykunov, Stanislav; Ustinin, Mikhail

2018-02-01

The paper is devoted to the description of MathBrain, a cloud-based resource, which works as a "Software as a Service" model. It is designed to maximize the efficiency of the current technology and to provide a tool for time series data handling. The resource provides access to the following analysis methods: direct and inverse Fourier transforms, Principal component analysis and Independent component analysis decompositions, quantitative analysis, magnetoencephalography inverse problem solution in a single dipole model based on multichannel spectral data.

Optical Characterization of Paper Aging Based on Laser-Induced Fluorescence (LIF) Spectroscopy.

PubMed

Zhang, Hao; Wang, Shun; Chang, Keke; Sun, Haifeng; Guo, Qingqian; Ma, Liuzheng; Yang, Yatao; Zou, Caihong; Wang, Ling; Hu, Jiandong

2018-06-01

Paper aging and degradation are growing concerns for those who are responsible for the conservation of documents, archives, and libraries. In this study, the paper aging was investigated using laser-induced fluorescence spectroscopy (LIFS), where the fluorescence properties of 47 paper samples with different ages were explored. The paper exhibits fluorescence in the blue-green spectral region with two peaks at about 448 nm and 480 nm under the excitation of 405 nm laser. Both fluorescence peaks changed in absolute intensities and thus the ratio of peak intensities was also influenced with the increasing ages. By applying principal component analysis (PCA) and k-means clustering algorithm, all 47 paper samples were classified into nine groups based on the differences in paper age. Then the first-derivative fluorescence spectral curves were proposed to figure out the relationship between the spectral characteristic and the paper age, and two quantitative models were established based on the changes of first-derivative spectral peak at 443 nm, where one is an exponential fitting curve with an R-squared value of 0.99 and another is a linear fitting curve with an R-squared value of 0.88. The results demonstrated that the combination of fluorescence spectroscopy and PCA can be used for the classification of paper samples with different ages. Moreover, the first-derivative fluorescence spectral curves can be used to quantitatively evaluate the age-related changes of paper samples.

Quantitative characterization of crude oils and fuels in mineral substrates using reflectance spectroscopy: Implications for remote sensing

NASA Astrophysics Data System (ADS)

Scafutto, Rebecca Del'Papa Moreira; Souza Filho, Carlos Roberto de

2016-08-01

The near and shortwave infrared spectral reflectance properties of several mineral substrates impregnated with crude oils (°APIs 19.2, 27.5 and 43.2), diesel, gasoline and ethanol were measured and assembled in a spectral library. These data were examined using Principal Component Analysis (PCA) and Partial Least Squares (PLS) Regression. Unique and characteristic absorption features were identified in the mixtures, besides variations of the spectral signatures related to the compositional difference of the crude oils and fuels. These features were used for qualitative and quantitative determination of the contaminant impregnated in the substrates. Specific wavelengths, where key absorption bands occur, were used for the individual characterization of oils and fuels. The intensity of these features can be correlated to the abundance of the contaminant in the mixtures. Grain size and composition of the impregnated substrate directly influence the variation of the spectral signatures. PCA models applied to the spectral library proved able to differentiate the type and density of the hydrocarbons. The calibration models generated by PLS are robust, of high quality and can also be used to predict the concentration of oils and fuels in mixtures with mineral substrates. Such data and models are employable as a reference for classifying unknown samples of contaminated substrates. The results of this study have important implications for onshore exploration and environmental monitoring of oil and fuels leaks using proximal and far range multispectral, hyperspectral and ultraespectral remote sensing.

FT-Raman spectral analysis of human urinary stones.

PubMed

Selvaraju, R; Raja, A; Thiruppathi, G

2012-12-01

FT-Raman spectroscopy is the most useful tool for the purpose of bio-medical diagnostics. In the present study, FT-Raman spectral method is used to investigate the chemical composition of urinary calculi. Urinary calculi multi-components such as calcium oxalate, hydroxyl apatite, struvite and uric acid are studied. FT-Raman spectrum has been recorded in the range of 3500-400 cm(-1). Chemical compounds are identified by Raman spectroscopic technique. The quantitative estimations of calcium oxalate monohydrate (COM) 1463 cm(-1), calcium oxalate dehydrate (COD) 1478 cm(-1), hydroxyl apatite 959 cm(-1), struvite 575 cm(-1), uric acid 1283 cm(-1) and oxammite (ammonium oxalate monohydrate) 2129 cm(-1) are calculated using particular peaks of FT-Raman spectrum. The quantitative estimation of human urinary stones suitable for the single calibration curve was performed. Copyright © 2012 Elsevier B.V. All rights reserved.

Spectroscopic and Chemometric Analysis of Binary and Ternary Edible Oil Mixtures: Qualitative and Quantitative Study.

PubMed

Jović, Ozren; Smolić, Tomislav; Primožič, Ines; Hrenar, Tomica

2016-04-19

The aim of this study was to investigate the feasibility of FTIR-ATR spectroscopy coupled with the multivariate numerical methodology for qualitative and quantitative analysis of binary and ternary edible oil mixtures. Four pure oils (extra virgin olive oil, high oleic sunflower oil, rapeseed oil, and sunflower oil), as well as their 54 binary and 108 ternary mixtures, were analyzed using FTIR-ATR spectroscopy in combination with principal component and discriminant analysis, partial least-squares, and principal component regression. It was found that the composition of all 166 samples can be excellently represented using only the first three principal components describing 98.29% of total variance in the selected spectral range (3035-2989, 1170-1140, 1120-1100, 1093-1047, and 930-890 cm(-1)). Factor scores in 3D space spanned by these three principal components form a tetrahedral-like arrangement: pure oils being at the vertices, binary mixtures at the edges, and ternary mixtures on the faces of a tetrahedron. To confirm the validity of results, we applied several cross-validation methods. Quantitative analysis was performed by minimization of root-mean-square error of cross-validation values regarding the spectral range, derivative order, and choice of method (partial least-squares or principal component regression), which resulted in excellent predictions for test sets (R(2) > 0.99 in all cases). Additionally, experimentally more demanding gas chromatography analysis of fatty acid content was carried out for all specimens, confirming the results obtained by FTIR-ATR coupled with principal component analysis. However, FTIR-ATR provided a considerably better model for prediction of mixture composition than gas chromatography, especially for high oleic sunflower oil.

A hybrid spatial-spectral denoising method for infrared hyperspectral images using 2DPCA

NASA Astrophysics Data System (ADS)

Huang, Jun; Ma, Yong; Mei, Xiaoguang; Fan, Fan

2016-11-01

The traditional noise reduction methods for 3-D infrared hyperspectral images typically operate independently in either the spatial or spectral domain, and such methods overlook the relationship between the two domains. To address this issue, we propose a hybrid spatial-spectral method in this paper to link both domains. First, principal component analysis and bivariate wavelet shrinkage are performed in the 2-D spatial domain. Second, 2-D principal component analysis transformation is conducted in the 1-D spectral domain to separate the basic components from detail ones. The energy distribution of noise is unaffected by orthogonal transformation; therefore, the signal-to-noise ratio of each component is used as a criterion to determine whether a component should be protected from over-denoising or denoised with certain 1-D denoising methods. This study implements the 1-D wavelet shrinking threshold method based on Stein's unbiased risk estimator, and the quantitative results on publicly available datasets demonstrate that our method can improve denoising performance more effectively than other state-of-the-art methods can.

Performance analysis of improved methodology for incorporation of spatial/spectral variability in synthetic hyperspectral imagery

NASA Astrophysics Data System (ADS)

Scanlan, Neil W.; Schott, John R.; Brown, Scott D.

2004-01-01

Synthetic imagery has traditionally been used to support sensor design by enabling design engineers to pre-evaluate image products during the design and development stages. Increasingly exploitation analysts are looking to synthetic imagery as a way to develop and test exploitation algorithms before image data are available from new sensors. Even when sensors are available, synthetic imagery can significantly aid in algorithm development by providing a wide range of "ground truthed" images with varying illumination, atmospheric, viewing and scene conditions. One limitation of synthetic data is that the background variability is often too bland. It does not exhibit the spatial and spectral variability present in real data. In this work, four fundamentally different texture modeling algorithms will first be implemented as necessary into the Digital Imaging and Remote Sensing Image Generation (DIRSIG) model environment. Two of the models to be tested are variants of a statistical Z-Score selection model, while the remaining two involve a texture synthesis and a spectral end-member fractional abundance map approach, respectively. A detailed comparative performance analysis of each model will then be carried out on several texturally significant regions of the resultant synthetic hyperspectral imagery. The quantitative assessment of each model will utilize a set of three peformance metrics that have been derived from spatial Gray Level Co-Occurrence Matrix (GLCM) analysis, hyperspectral Signal-to-Clutter Ratio (SCR) measures, and a new concept termed the Spectral Co-Occurrence Matrix (SCM) metric which permits the simultaneous measurement of spatial and spectral texture. Previous research efforts on the validation and performance analysis of texture characterization models have been largely qualitative in nature based on conducting visual inspections of synthetic textures in order to judge the degree of similarity to the original sample texture imagery. The quantitative measures used in this study will in combination attempt to determine which texture characterization models best capture the correct statistical and radiometric attributes of the corresponding real image textures in both the spatial and spectral domains. The motivation for this work is to refine our understanding of the complexities of texture phenomena so that an optimal texture characterization model that can accurately account for these complexities can be eventually implemented into a synthetic image generation (SIG) model. Further, conclusions will be drawn regarding which of the candidate texture models are able to achieve realistic levels of spatial and spectral clutter, thereby permitting more effective and robust testing of hyperspectral algorithms in synthetic imagery.

Performance analysis of improved methodology for incorporation of spatial/spectral variability in synthetic hyperspectral imagery

NASA Astrophysics Data System (ADS)

Scanlan, Neil W.; Schott, John R.; Brown, Scott D.

2003-12-01

Synthetic imagery has traditionally been used to support sensor design by enabling design engineers to pre-evaluate image products during the design and development stages. Increasingly exploitation analysts are looking to synthetic imagery as a way to develop and test exploitation algorithms before image data are available from new sensors. Even when sensors are available, synthetic imagery can significantly aid in algorithm development by providing a wide range of "ground truthed" images with varying illumination, atmospheric, viewing and scene conditions. One limitation of synthetic data is that the background variability is often too bland. It does not exhibit the spatial and spectral variability present in real data. In this work, four fundamentally different texture modeling algorithms will first be implemented as necessary into the Digital Imaging and Remote Sensing Image Generation (DIRSIG) model environment. Two of the models to be tested are variants of a statistical Z-Score selection model, while the remaining two involve a texture synthesis and a spectral end-member fractional abundance map approach, respectively. A detailed comparative performance analysis of each model will then be carried out on several texturally significant regions of the resultant synthetic hyperspectral imagery. The quantitative assessment of each model will utilize a set of three peformance metrics that have been derived from spatial Gray Level Co-Occurrence Matrix (GLCM) analysis, hyperspectral Signal-to-Clutter Ratio (SCR) measures, and a new concept termed the Spectral Co-Occurrence Matrix (SCM) metric which permits the simultaneous measurement of spatial and spectral texture. Previous research efforts on the validation and performance analysis of texture characterization models have been largely qualitative in nature based on conducting visual inspections of synthetic textures in order to judge the degree of similarity to the original sample texture imagery. The quantitative measures used in this study will in combination attempt to determine which texture characterization models best capture the correct statistical and radiometric attributes of the corresponding real image textures in both the spatial and spectral domains. The motivation for this work is to refine our understanding of the complexities of texture phenomena so that an optimal texture characterization model that can accurately account for these complexities can be eventually implemented into a synthetic image generation (SIG) model. Further, conclusions will be drawn regarding which of the candidate texture models are able to achieve realistic levels of spatial and spectral clutter, thereby permitting more effective and robust testing of hyperspectral algorithms in synthetic imagery.

Nondestructive Evaluation of Adhesive Bond Quality: State of the Art Review

DTIC Science & Technology

1989-06-01

conducted using a and Harnik (6) developed a quantitative medium-focused, 1/4-inch diameter, 10-MHz method of testing adhesive bonded joints transducer...Couchman." Spectral Analysis Tech- E. Harnik . "The Testing of Adhesive- nique of Ultrasonic NDT of Advanced Bonded Joints by a Very High Resolu

Repetitive transcranial magnetic stimulation improves consciousness disturbance in stroke patients: A quantitative electroencephalography spectral power analysis.

PubMed

Xie, Ying; Zhang, Tong

2012-11-05

Repetitive transcranial magnetic stimulation is a noninvasive treatment technique that can directly alter cortical excitability and improve cerebral functional activity in unconscious patients. To investigate the effects and the electrophysiological changes of repetitive transcranial magnetic stimulation cortical treatment, 10 stroke patients with non-severe brainstem lesions and with disturbance of consciousness were treated with repetitive transcranial magnetic stimulation. A quantitative electroencephalography spectral power analysis was also performed. The absolute power in the alpha band was increased immediately after the first repetitive transcranial magnetic stimulation treatment, and the energy was reduced in the delta band. The alpha band relative power values slightly decreased at 1 day post-treatment, then increased and reached a stable level at 2 weeks post-treatment. Glasgow Coma Score and JFK Coma Recovery Scale-Revised score were improved. Relative power value in the alpha band was positively related to Glasgow Coma Score and JFK Coma Recovery Scale-Revised score. These data suggest that repetitive transcranial magnetic stimulation is a noninvasive, safe, and effective treatment technology for improving brain functional activity and promoting awakening in unconscious stroke patients.

Bispectral infrared forest fire detection and analysis using classification techniques

NASA Astrophysics Data System (ADS)

Aranda, Jose M.; Melendez, Juan; de Castro, Antonio J.; Lopez, Fernando

2004-01-01

Infrared cameras are well established as a useful tool for fire detection, but their use for quantitative forest fire measurements faces difficulties, due to the complex spatial and spectral structure of fires. In this work it is shown that some of these difficulties can be overcome by applying classification techniques, a standard tool for the analysis of satellite multispectral images, to bi-spectral images of fires. Images were acquired by two cameras that operate in the medium infrared (MIR) and thermal infrared (TIR) bands. They provide simultaneous and co-registered images, calibrated in brightness temperatures. The MIR-TIR scatterplot of these images can be used to classify the scene into different fire regions (background, ashes, and several ember and flame regions). It is shown that classification makes possible to obtain quantitative measurements of physical fire parameters like rate of spread, embers temperature, and radiated power in the MIR and TIR bands. An estimation of total radiated power and heat release per unit area is also made and compared with values derived from heat of combustion and fuel consumption.

[Experimental Methods and Result Analysis of a Variety of Spectral Reflectance Properties of the Thin Oil Film].

PubMed

Ye, Zhou; Liu, Li; Wei, Chuan-xin; Gu, Qun; An, Ping-ao; Zhao, Yue-jiao; Yin, Da-yi

2015-06-01

In order to analysis the oil spill situation based on the obtained data in airborne aerial work, it's needed to get the spectral reflectance characteristics of the oil film of different oils and thickness as support and to select the appropriate operating band. An experiment is set up to measure the reflectance spectroscopy from ultraviolet to near-infrared for the film of five target samples, which means petrol, diesel, lubricating oil, kerosene and fossil, using spectral measurement device. The result is compared with the reflectance spectra of water in the same experimental environment, which shows that the spectral reflection characteristics of the oil film are related to the thickness and the type of the oil film. In case of the same thickness, the spectral reflectance curve of different types of film is far different, and for the same type of film, the spectral reflectance curve changes accordingly with the change of film thickness, therefore in terms of the single film, different film thickness can be distinguished by reflectance curves. It also shows that in terms of the same film thickness, the reflectance of diesel, kerosene, lubricants reaches peak around 380 nm wavelength, obviously different from the reflectance of water, and that the reflectance of crude oil is far less than that of water in more than 340 nm wavelength, and the obtained reflection spectrum can be used to distinguish between different types of oil film to some extent. The experiment covers main types of spilled oil, with data comprehensively covering commonly used detect spectral bands, and quantitative description of the spectral reflectance properties of film. It provides comprehensive theoretical and data support for the selection of airborne oil spill detection working band and the detection and analysis of water-surface oil spill.

Spectral Quantitation Of Hydroponic Nutrients

NASA Technical Reports Server (NTRS)

Schlager, Kenneth J.; Kahle, Scott J.; Wilson, Monica A.; Boehlen, Michelle

1996-01-01

Instrument continuously monitors hydroponic solution by use of absorption and emission spectrometry to determine concentrations of principal nutrients, including nitrate, iron, potassium, calcium, magnesium, phosphorus, sodium, and others. Does not depend on extraction and processing of samples, use of such surrograte parameters as pH or electrical conductivity for control, or addition of analytical reagents to solution. Solution not chemically altered by analysis and can be returned to hydroponic process stream after analysis.

Raman spectral imaging for quantitative contaminant evaluation in skim milk powder

USDA-ARS?s Scientific Manuscript database

This study uses a point-scan Raman spectral imaging system for quantitative detection of melamine in milk powder. A sample depth of 2 mm and corresponding laser intensity of 200 mW were selected after evaluating the penetration of a 785 nm laser through milk powder. Horizontal and vertical spatial r...

Hyperspectral imaging spectro radiometer improves radiometric accuracy

NASA Astrophysics Data System (ADS)

Prel, Florent; Moreau, Louis; Bouchard, Robert; Bullis, Ritchie D.; Roy, Claude; Vallières, Christian; Levesque, Luc

2013-06-01

Reliable and accurate infrared characterization is necessary to measure the specific spectral signatures of aircrafts and associated infrared counter-measures protections (i.e. flares). Infrared characterization is essential to improve counter measures efficiency, improve friend-foe identification and reduce the risk of friendly fire. Typical infrared characterization measurement setups include a variety of panchromatic cameras and spectroradiometers. Each instrument brings essential information; cameras measure the spatial distribution of targets and spectroradiometers provide the spectral distribution of the emitted energy. However, the combination of separate instruments brings out possible radiometric errors and uncertainties that can be reduced with Hyperspectral imagers. These instruments combine both spectral and spatial information into the same data. These instruments measure both the spectral and spatial distribution of the energy at the same time ensuring the temporal and spatial cohesion of collected information. This paper presents a quantitative analysis of the main contributors of radiometric uncertainties and shows how a hyperspectral imager can reduce these uncertainties.

Noninvasive quantitative documentation of cutaneous inflammation in vivo using spectral imaging

NASA Astrophysics Data System (ADS)

Stamatas, Georgios N.; Kollias, Nikiforos

2006-02-01

Skin inflammation is often accompanied by edema and erythema. While erythema is the result of capillary dilation and subsequent local increase of oxygenated hemoglobin (oxy-Hb) concentration, edema is characterized by an increase in extracellular fluid in the dermis leading to local tissue swelling. Edema and erythema are typically graded visually. In this work we tested the potential of spectral imaging as a non-invasive method for quantitative documentation of both the erythema and the edema reactions. As examples of dermatological conditions that exhibit skin inflammation we imaged patients suffering from acne, herpes zoster, and poison ivy rashes using a hyperspectral-imaging camera. Spectral images were acquired in the visible and near infrared part of the spectrum, where oxy-Hb and water demonstrate absorption bands. The values of apparent concentrations of oxy-Hb and water were calculated based on an algorithm that takes into account spectral contributions of deoxy-hemoglobin, melanin, and scattering. In each case examined concentration maps of oxy-Hb and water can be constructed that represent quantitative visualizations of the intensity and extent of erythema and edema correspondingly. In summary, we demonstrate that spectral imaging can be used in dermatology to quantitatively document parameters relating to skin inflammation. Applications may include monitoring of disease progression as well as efficacy of treatments.

Contrast-enhanced spectral mammography based on a photon-counting detector: quantitative accuracy and radiation dose

NASA Astrophysics Data System (ADS)

Lee, Seungwan; Kang, Sooncheol; Eom, Jisoo

2017-03-01

Contrast-enhanced mammography has been used to demonstrate functional information about a breast tumor by injecting contrast agents. However, a conventional technique with a single exposure degrades the efficiency of tumor detection due to structure overlapping. Dual-energy techniques with energy-integrating detectors (EIDs) also cause an increase of radiation dose and an inaccuracy of material decomposition due to the limitations of EIDs. On the other hands, spectral mammography with photon-counting detectors (PCDs) is able to resolve the issues induced by the conventional technique and EIDs using their energy-discrimination capabilities. In this study, the contrast-enhanced spectral mammography based on a PCD was implemented by using a polychromatic dual-energy model, and the proposed technique was compared with the dual-energy technique with an EID in terms of quantitative accuracy and radiation dose. The results showed that the proposed technique improved the quantitative accuracy as well as reduced radiation dose comparing to the dual-energy technique with an EID. The quantitative accuracy of the contrast-enhanced spectral mammography based on a PCD was slightly improved as a function of radiation dose. Therefore, the contrast-enhanced spectral mammography based on a PCD is able to provide useful information for detecting breast tumors and improving diagnostic accuracy.

Spectral analysis of fundus autofluorescence pattern as a tool to detect early stages of degeneration in the retina and retinal pigment epithelium.

PubMed

Feldman, Tatiana B; Yakovleva, Marina A; Larichev, Andrey V; Arbukhanova, Patimat M; Radchenko, Alexandra Sh; Borzenok, Sergey A; Kuzmin, Vladimir A; Ostrovsky, Mikhail A

2018-05-22

The aim of this work is the determination of quantitative diagnostic criteria based on the spectral characteristics of fundus autofluorescence to detect early stages of degeneration in the retina and retinal pigment epithelium (RPE). RPE cell suspension samples were obtained from the cadaver eyes with and without signs of age-related macular degeneration (AMD). Fluorescence analysis at an excitation wavelength of 488 nm was performed. The fluorescence lifetimes of lipofuscin-granule fluorophores were measured by counting time-correlated photon method. Comparative analysis of fluorescence spectra of RPE cell suspensions from the cadaver eyes with and without signs of AMD showed a significant difference in fluorescence intensity at 530-580 nm in response to fluorescence excitation at 488 nm. It was notably higher in eyes with visual pathology than in normal eyes regardless of the age of the eye donor. Measurements of fluorescence lifetimes of lipofuscin fluorophores showed that the contribution of photooxidation and photodegradation products of bisretinoids to the total fluorescence at 530-580 nm of RPE cell suspensions was greater in eyes with visual pathology than in normal eyes. Because photooxidation and photodegradation products of bisretinoids are markers of photodestructive processes, which can cause RPE cell death and initiate degenerative processes in the retina, quantitative determination of increases in these bisretinoid products in lipofuscin granules may be used to establish quantitative diagnostic criteria for degenerative processes in the retina and RPE.

Temporal scaling of groundwater level fluctuations near a stream

USGS Publications Warehouse

Schilling, K.E.; Zhang, Y.-K.

2012-01-01

Temporal scaling in stream discharge and hydraulic heads in riparian wells was evaluated to determine the feasibility of using spectral analysis to identify potential surface and groundwater interaction. In floodplains where groundwater levels respond rapidly to precipitation recharge, potential interaction is established if the hydraulic head (h) spectrum of riparian groundwater has a power spectral density similar to stream discharge (Q), exhibiting a characteristic breakpoint between high and low frequencies. At a field site in Walnut Creek watershed in central Iowa, spectral analysis of h in wells located 1 m from the channel edge showed a breakpoint in scaling very similar to the spectrum of Q (~20 h), whereas h in wells located 20 and 40 m from the channel showed temporal scaling from 1 to 10,000 h without a well-defined breakpoint. The spectral exponent (??) in the riparian zone decreased systematically from the channel into the floodplain as groundwater levels were increasingly dominated by white noise groundwater recharge. The scaling pattern of hydraulic head was not affected by land cover type, although the number of analyses was limited and site conditions were variable among sites. Spectral analysis would not replace quantitative tracer or modeling studies, but the method may provide a simple means of confirming potential interaction at some sites. ?? 2011, The Author(s). Ground Water ?? 2011, National Ground Water Association.

Temporal scaling of groundwater level fluctuations near a stream.

PubMed

Schilling, Keith E; Zhang, You-Kuan

2012-01-01

Temporal scaling in stream discharge and hydraulic heads in riparian wells was evaluated to determine the feasibility of using spectral analysis to identify potential surface and groundwater interaction. In floodplains where groundwater levels respond rapidly to precipitation recharge, potential interaction is established if the hydraulic head (h) spectrum of riparian groundwater has a power spectral density similar to stream discharge (Q), exhibiting a characteristic breakpoint between high and low frequencies. At a field site in Walnut Creek watershed in central Iowa, spectral analysis of h in wells located 1 m from the channel edge showed a breakpoint in scaling very similar to the spectrum of Q (∼20 h), whereas h in wells located 20 and 40 m from the channel showed temporal scaling from 1 to 10,000 h without a well-defined breakpoint. The spectral exponent (β) in the riparian zone decreased systematically from the channel into the floodplain as groundwater levels were increasingly dominated by white noise groundwater recharge. The scaling pattern of hydraulic head was not affected by land cover type, although the number of analyses was limited and site conditions were variable among sites. Spectral analysis would not replace quantitative tracer or modeling studies, but the method may provide a simple means of confirming potential interaction at some sites. © 2011, The Author(s). Ground Water © 2011, National Ground Water Association.

Pulmonary-impedance power spectral analysis: A facile means of detecting radiation-induced gastrointestinal distress and performance decrement in man

NASA Technical Reports Server (NTRS)

Rick, R. C.; Lushbaugh, C. C.; Mcdow, E.; Frome, E.

1972-01-01

Changes in respiratory variance revealed by power spectral analysis of the pulmonary impedance pneumogram can be used to detect and measure stresses directly or indirectly affecting human respiratory function. When gastrointestinal distress occurred during a series of 5 total-body exposures of 30 R at a rate of 1.5 R/min, it was accompanied by typical shifts in pulmonary impedance power spectra. These changes did not occur after protracted exposure of 250 R (30 R daily) at 1.5 R/hr that failed to cause radiation sickness. This system for quantitating respiratory effort can also be used to detect alterations in one's ability to perform under controlled exercise conditions.

Research progress in Asia on methods of processing laser-induced breakdown spectroscopy data

NASA Astrophysics Data System (ADS)

Guo, Yang-Min; Guo, Lian-Bo; Li, Jia-Ming; Liu, Hong-Di; Zhu, Zhi-Hao; Li, Xiang-You; Lu, Yong-Feng; Zeng, Xiao-Yan

2016-10-01

Laser-induced breakdown spectroscopy (LIBS) has attracted much attention in terms of both scientific research and industrial application. An important branch of LIBS research in Asia, the development of data processing methods for LIBS, is reviewed. First, the basic principle of LIBS and the characteristics of spectral data are briefly introduced. Next, two aspects of research on and problems with data processing methods are described: i) the basic principles of data preprocessing methods are elaborated in detail on the basis of the characteristics of spectral data; ii) the performance of data analysis methods in qualitative and quantitative analysis of LIBS is described. Finally, a direction for future development of data processing methods for LIBS is also proposed.

M.S.L.A.P. Modular Spectral Line Analysis Program documentation

NASA Technical Reports Server (NTRS)

Joseph, Charles L.; Jenkins, Edward B.

1991-01-01

MSLAP is a software for analyzing spectra, providing the basic structure to identify spectral features, to make quantitative measurements of this features, and to store the measurements for convenient access. MSLAP can be used to measure not only the zeroth moment (equivalent width) of a profile, but also the first and second moments. Optical depths and the corresponding column densities across the profile can be measured as well for sufficiently high resolution data. The software was developed for an interactive, graphical analysis where the computer carries most of the computational and data organizational burden and the investigator is responsible only for all judgement decisions. It employs sophisticated statistical techniques for determining the best polynomial fit to the continuum and for calculating the uncertainties.

Platform-independent and label-free quantitation of proteomic data using MS1 extracted ion chromatograms in skyline: application to protein acetylation and phosphorylation.

PubMed

Schilling, Birgit; Rardin, Matthew J; MacLean, Brendan X; Zawadzka, Anna M; Frewen, Barbara E; Cusack, Michael P; Sorensen, Dylan J; Bereman, Michael S; Jing, Enxuan; Wu, Christine C; Verdin, Eric; Kahn, C Ronald; Maccoss, Michael J; Gibson, Bradford W

2012-05-01

Despite advances in metabolic and postmetabolic labeling methods for quantitative proteomics, there remains a need for improved label-free approaches. This need is particularly pressing for workflows that incorporate affinity enrichment at the peptide level, where isobaric chemical labels such as isobaric tags for relative and absolute quantitation and tandem mass tags may prove problematic or where stable isotope labeling with amino acids in cell culture labeling cannot be readily applied. Skyline is a freely available, open source software tool for quantitative data processing and proteomic analysis. We expanded the capabilities of Skyline to process ion intensity chromatograms of peptide analytes from full scan mass spectral data (MS1) acquired during HPLC MS/MS proteomic experiments. Moreover, unlike existing programs, Skyline MS1 filtering can be used with mass spectrometers from four major vendors, which allows results to be compared directly across laboratories. The new quantitative and graphical tools now available in Skyline specifically support interrogation of multiple acquisitions for MS1 filtering, including visual inspection of peak picking and both automated and manual integration, key features often lacking in existing software. In addition, Skyline MS1 filtering displays retention time indicators from underlying MS/MS data contained within the spectral library to ensure proper peak selection. The modular structure of Skyline also provides well defined, customizable data reports and thus allows users to directly connect to existing statistical programs for post hoc data analysis. To demonstrate the utility of the MS1 filtering approach, we have carried out experiments on several MS platforms and have specifically examined the performance of this method to quantify two important post-translational modifications: acetylation and phosphorylation, in peptide-centric affinity workflows of increasing complexity using mouse and human models.

Platform-independent and Label-free Quantitation of Proteomic Data Using MS1 Extracted Ion Chromatograms in Skyline

PubMed Central

Schilling, Birgit; Rardin, Matthew J.; MacLean, Brendan X.; Zawadzka, Anna M.; Frewen, Barbara E.; Cusack, Michael P.; Sorensen, Dylan J.; Bereman, Michael S.; Jing, Enxuan; Wu, Christine C.; Verdin, Eric; Kahn, C. Ronald; MacCoss, Michael J.; Gibson, Bradford W.

2012-01-01

Despite advances in metabolic and postmetabolic labeling methods for quantitative proteomics, there remains a need for improved label-free approaches. This need is particularly pressing for workflows that incorporate affinity enrichment at the peptide level, where isobaric chemical labels such as isobaric tags for relative and absolute quantitation and tandem mass tags may prove problematic or where stable isotope labeling with amino acids in cell culture labeling cannot be readily applied. Skyline is a freely available, open source software tool for quantitative data processing and proteomic analysis. We expanded the capabilities of Skyline to process ion intensity chromatograms of peptide analytes from full scan mass spectral data (MS1) acquired during HPLC MS/MS proteomic experiments. Moreover, unlike existing programs, Skyline MS1 filtering can be used with mass spectrometers from four major vendors, which allows results to be compared directly across laboratories. The new quantitative and graphical tools now available in Skyline specifically support interrogation of multiple acquisitions for MS1 filtering, including visual inspection of peak picking and both automated and manual integration, key features often lacking in existing software. In addition, Skyline MS1 filtering displays retention time indicators from underlying MS/MS data contained within the spectral library to ensure proper peak selection. The modular structure of Skyline also provides well defined, customizable data reports and thus allows users to directly connect to existing statistical programs for post hoc data analysis. To demonstrate the utility of the MS1 filtering approach, we have carried out experiments on several MS platforms and have specifically examined the performance of this method to quantify two important post-translational modifications: acetylation and phosphorylation, in peptide-centric affinity workflows of increasing complexity using mouse and human models. PMID:22454539

[Quantitative relationships between hyper-spectral vegetation indices and leaf area index of rice].

PubMed

Tian, Yong-Chao; Yang, Jie; Yao, Xia; Zhu, Yan; Cao, Wei-Xing

2009-07-01

Based on field experiments with different rice varieties under different nitrogen application levels, the quantitative relationships of rice leaf area index (LAI) with canopy hyper-spectral parameters at different growth stages were analyzed. Rice LAI had good relationships with several hyper-spectral vegetation indices, the correlation coefficient being the highest with DI (difference index), followed by with RI (ratio index), and NI (normalized index), based on the spectral reflectance or the first derivative spectra. The two best spectral indices for estimating LAI were the difference index DI (854, 760) (based on two spectral bands of 850 nm and 760 nm) and the difference index DI (D676, D778) (based on two first derivative bands of 676 nm and 778 nm). In general, the hyper-spectral vegetation indices based on spectral reflectance performed better than the spectral indices based on the first derivative spectra. The tests with independent dataset suggested that the rice LAI monitoring models with difference index DI (854,760) as the variable could give an accurate LAI estimation, being available for estimation of rice LAI.

Comparative analysis of data quality and applications in vegetation of HJ-1A CCD images

NASA Astrophysics Data System (ADS)

Wei, Hongwei; Tian, Qingjiu; Huang, Yan; Wang, Yan

2014-05-01

To study the data quality and to find the differences in vegetation monitoring applications, the same region at Chuzhou Lai 'an, the data of HJ-1A CCD1 on the April 1st, 2012 and the data of HJ-1A CCD2 on the March 31, 2012 have being comparative analysis by the method of objective quality (image)assessment which selecting over five spectral image evaluation parameters: radiation precision (mean, variance, inclination, steepness), information entropy, signal-to-noise ratio, sharpness, contrast, and normalized differential vegetation index. The results show that there is little differences between the HJ-1A CCD1 and CCD2 by objective evaluation of data quality except radiation precision conform to their design theory, so the conclusion is that the difference of them without considering on the usual unless continuation;and Combination of field observation data Lai'an spectral data and GPS data (each point),selecting the normalized difference vegetation index as CCD1, CCD2 in vegetation monitoring application on the evaluation of the differences, and the specific process is based on GPS data is divided into nine small plots of spectral data ,and image data of nine one-to-one correspondence plots, and their normalized difference vegetation index values were calculated ,and measured spectra data resampling HJ-1A CCD1, CCD2 spectral response function calculated NDVI, and the results show that there is little differences between the HJ-1A CCD1 and CCD2 by objective evaluation of data quality, and, the differences of wheat `s reflection and normalized vegetation index is mainly due to calibration coefficients of CCD1 and CCD2, the differences of the solar elevation angle when obtaining the image and atmospheric conditions, so it has to consider the performance indicators as well as access conditions of CCD1 and CCD2, and to be take the normalization techniques for processing for the comparison analysis in the use of HJ-1A CCD Data to surface dynamic changes; Finally, in order to study the response of the spectral response function proposed spectral response function of impact factor, and in view of the spectral response function measured spectral data resampling only HJ-1A CCD spectral response function, calculated according to the formula of the equivalent reflectivity quantitative spectral response function, and spectral normalization of proposed theoretical Technical Support. The Objective evaluation of its application of HJ-1A CCD1, and CCD2 data quality differences research has important implications for broader application to further promote China-made remote sensing satellite data, future research also needs calibration coefficient, the solar elevation angle atmospheric conditions and its image scanning angle be taken into account, and to make the corresponding normalized its impact quantitative research has important significance for the timing changes in the application of the ecological environment in China.

An approach to estimate spatial distribution of analyte within cells using spectrally-resolved fluorescence microscopy.

PubMed

Sharma, Dharmendar Kumar; Irfanullah, Mir; Basu, Santanu Kumar; Madhu, Sheri; De, Suman; Jadhav, Sameer; Ravikanth, Mangalampalli; Chowdhury, Arindam

2017-01-18

While fluorescence microscopy has become an essential tool amongst chemists and biologists for the detection of various analyte within cellular environments, non-uniform spatial distribution of sensors within cells often restricts extraction of reliable information on relative abundance of analytes in different subcellular regions. As an alternative to existing sensing methodologies such as ratiometric or FRET imaging, where relative proportion of analyte with respect to the sensor can be obtained within cells, we propose a methodology using spectrally-resolved fluorescence microscopy, via which both the relative abundance of sensor as well as their relative proportion with respect to the analyte can be simultaneously extracted for local subcellular regions. This method is exemplified using a BODIPY sensor, capable of detecting mercury ions within cellular environments, characterized by spectral blue-shift and concurrent enhancement of emission intensity. Spectral emission envelopes collected from sub-microscopic regions allowed us to compare the shift in transition energies as well as integrated emission intensities within various intracellular regions. Construction of a 2D scatter plot using spectral shifts and emission intensities, which depend on the relative amount of analyte with respect to sensor and the approximate local amounts of the probe, respectively, enabled qualitative extraction of relative abundance of analyte in various local regions within a single cell as well as amongst different cells. Although the comparisons remain semi-quantitative, this approach involving analysis of multiple spectral parameters opens up an alternative way to extract spatial distribution of analyte in heterogeneous systems. The proposed method would be especially relevant for fluorescent probes that undergo relatively nominal shift in transition energies compared to their emission bandwidths, which often restricts their usage for quantitative ratiometric imaging in cellular media due to strong cross-talk between energetically separated detection channels.

An approach to estimate spatial distribution of analyte within cells using spectrally-resolved fluorescence microscopy

NASA Astrophysics Data System (ADS)

Sharma, Dharmendar Kumar; Irfanullah, Mir; Basu, Santanu Kumar; Madhu, Sheri; De, Suman; Jadhav, Sameer; Ravikanth, Mangalampalli; Chowdhury, Arindam

2017-03-01

While fluorescence microscopy has become an essential tool amongst chemists and biologists for the detection of various analyte within cellular environments, non-uniform spatial distribution of sensors within cells often restricts extraction of reliable information on relative abundance of analytes in different subcellular regions. As an alternative to existing sensing methodologies such as ratiometric or FRET imaging, where relative proportion of analyte with respect to the sensor can be obtained within cells, we propose a methodology using spectrally-resolved fluorescence microscopy, via which both the relative abundance of sensor as well as their relative proportion with respect to the analyte can be simultaneously extracted for local subcellular regions. This method is exemplified using a BODIPY sensor, capable of detecting mercury ions within cellular environments, characterized by spectral blue-shift and concurrent enhancement of emission intensity. Spectral emission envelopes collected from sub-microscopic regions allowed us to compare the shift in transition energies as well as integrated emission intensities within various intracellular regions. Construction of a 2D scatter plot using spectral shifts and emission intensities, which depend on the relative amount of analyte with respect to sensor and the approximate local amounts of the probe, respectively, enabled qualitative extraction of relative abundance of analyte in various local regions within a single cell as well as amongst different cells. Although the comparisons remain semi-quantitative, this approach involving analysis of multiple spectral parameters opens up an alternative way to extract spatial distribution of analyte in heterogeneous systems. The proposed method would be especially relevant for fluorescent probes that undergo relatively nominal shift in transition energies compared to their emission bandwidths, which often restricts their usage for quantitative ratiometric imaging in cellular media due to strong cross-talk between energetically separated detection channels. Dedicated to Professor Kankan Bhattacharyya.

Timber type separability in Southeastern United States on LANDSAT-1 MSS data

NASA Technical Reports Server (NTRS)

Kan, E. P.; Dillman, R. D.

1975-01-01

A quantitative, computer-aided study was made on the spectral separability of timber types and condition classes in the Southeastern United States, using LANDSAT-1 multispectral scanner data. It was concluded that LANDSAT-1 could be used effectively to discriminate the gross forest features of softwood, hardwood, and regeneration. The only significant detectable age difference would be between an established forest versus a young (or denuded) forest. The red or near infrared bands would be better for discrimination; phenological early and late spring data would be better than winter. And a temporal analysis would be superior to single-season analysis. Lastly, two spectral bands would be most cost effective for computer analysis. The study site was Sam Houston National Forest of East Texas, a typical forest in the Flatwoods Zone, Southern Region, U. S. Forest Service.

Application of factor analysis of infrared spectra for quantitative determination of beta-tricalcium phosphate in calcium hydroxylapatite.

PubMed

Arsenyev, P A; Trezvov, V V; Saratovskaya, N V

1997-01-01

This work represents a method, which allows to determine phase composition of calcium hydroxylapatite basing on its infrared spectrum. The method uses factor analysis of the spectral data of calibration set of samples to determine minimal number of factors required to reproduce the spectra within experimental error. Multiple linear regression is applied to establish correlation between factor scores of calibration standards and their properties. The regression equations can be used to predict the property value of unknown sample. The regression model was built for determination of beta-tricalcium phosphate content in hydroxylapatite. Statistical estimation of quality of the model was carried out. Application of the factor analysis on spectral data allows to increase accuracy of beta-tricalcium phosphate determination and expand the range of determination towards its less concentration. Reproducibility of results is retained.

Periictal activity in cooled asphyxiated neonates with seizures.

PubMed

Major, Philippe; Lortie, Anne; Dehaes, Mathieu; Lodygensky, Gregory Anton; Gallagher, Anne; Carmant, Lionel; Birca, Ala

2017-04-01

Seizures are common in critically ill neonates. Both seizures and antiepileptic treatments may lead to short term complications and worsen the outcomes. Predicting the risks of seizure reoccurrence could enable individual treatment regimens and better outcomes. We aimed to identify EEG signatures of seizure reoccurrence by investigating periictal electrographic features and spectral power characteristics in hypothermic neonates with hypoxic-ischemic encephalopathy (HIE) with or without reoccurrence of seizures on rewarming. We recruited five consecutive HIE neonates, submitted to continuous EEG monitoring, with high seizure burden (>20% per hour) while undergoing therapeutic hypothermia. Two of them had reoccurrence of seizures on rewarming. We performed quantitative analysis of fifteen artifact-free consecutive seizures to appreciate spectral power changes between the interictal, preictal and ictal periods, separately for each patient. Visual analysis allowed description of electrographic features associated with ictal events. Every patient demonstrated a significant increase in overall spectral power from the interictal to preictal and ictal periods (p<0.01). Alpha power increase was more pronounced in the two patients with reoccurrence of seizures on rewarming and significant when comparing both interictal-to-preictal and interictal-to-ictal periods. This alpha activity increase could be also appreciated using visual analysis and distinguished neonates with and without seizure reoccurrence. This distinct alpha activity preceding ictal onset could represent a biomarker of propensity for seizure reoccurrence in neonates. Future studies should be performed to confirm whether quantitative periictal characteristics and electrographic features allow predicting the risks of seizure reoccurrence in HIE neonates and other critically ill patients. Copyright © 2017 British Epilepsy Association. Published by Elsevier Ltd. All rights reserved.

[Quantitative analysis of Cu in water by collinear DP-LIBS].

PubMed

Zheng, Mei-Lan; Yao, Ming-Yin; Chen, Tian-Bing; Lin, Yong-Zeng; Li, Wen-Bing; Liu, Mu-Hua

2014-07-01

The purpose of this research is to study the influence of double pulse laser induced breakdown spectroscopy (DP-LIBS) on the sensitivity of Cu in water. The water solution of Cu was tested by collinear DP-LIBS in this article. The results show that spectral intensity of Cu can be enhanced obviously by DP-LIBS, compared with single pulse laser induced breakdown spectroscopy (SP-LIBS). Besides, the experimental results were significantly impacted by delay time between laser pulse and spectrometer acquisition, delay time of double laser pulse and energy of laser pulse and so on. The paper determined the best conditions for DP-LIBS detecting Cu in water. The optimal acquisition delay time was 1 380 ns. The best laser pulse delay time was 25 ns. The most appropriate energy of double laser pulse was 100 mJ. Characteristic analysis of spectra of Cu at 324.7 and 327.4 nm was done for quantitative analysis. The detection limit was 3.5 microg x mL(-1) at 324.7 nm, and the detection limit was 4.84 microg x mL(-1) at 327.4 nm. The relative standard deviation of the two characteristic spectral lines was within 10%. The calibration curve of characteristic spectral line, established by 327.4 nm, was verified with 500 microg x mL(-1) sample. Concentration of the sample was 446 microg x mL(-1) calculated by the calibration curve. This research shows that the detection sensitivity of Cu in water can be improved by DP-LIBS. At the same time, it had high stability.

Quantitative interpretation of Great Lakes remote sensing data

NASA Technical Reports Server (NTRS)

Shook, D. F.; Salzman, J.; Svehla, R. A.; Gedney, R. T.

1980-01-01

The paper discusses the quantitative interpretation of Great Lakes remote sensing water quality data. Remote sensing using color information must take into account (1) the existence of many different organic and inorganic species throughout the Great Lakes, (2) the occurrence of a mixture of species in most locations, and (3) spatial variations in types and concentration of species. The radiative transfer model provides a potential method for an orderly analysis of remote sensing data and a physical basis for developing quantitative algorithms. Predictions and field measurements of volume reflectances are presented which show the advantage of using a radiative transfer model. Spectral absorptance and backscattering coefficients for two inorganic sediments are reported.

Enhancement of the spectral selectivity of complex samples by measuring them in a frozen state at low temperatures in order to improve accuracy for quantitative analysis. Part II. Determination of viscosity for lube base oils using Raman spectroscopy.

PubMed

Kim, Mooeung; Chung, Hoeil

2013-03-07

The use of selectivity-enhanced Raman spectra of lube base oil (LBO) samples achieved by the spectral collection under frozen conditions at low temperatures was effective for improving accuracy for the determination of the kinematic viscosity at 40 °C (KV@40). A collection of Raman spectra from samples cooled around -160 °C provided the most accurate measurement of KV@40. Components of the LBO samples were mainly long-chain hydrocarbons with molecular structures that were deformable when these were frozen, and the different structural deformabilities of the components enhanced spectral selectivity among the samples. To study the structural variation of components according to the change of sample temperature from cryogenic to ambient condition, n-heptadecane and pristane (2,6,10,14-tetramethylpentadecane) were selected as representative components of LBO samples, and their temperature-induced spectral features as well as the corresponding spectral loadings were investigated. A two-dimensional (2D) correlation analysis was also employed to explain the origin for the improved accuracy. The asynchronous 2D correlation pattern was simplest at the optimal temperature, indicating the occurrence of distinct and selective spectral variations, which enabled the variation of KV@40 of LBO samples to be more accurately assessed.

Quantile regression applied to spectral distance decay

USGS Publications Warehouse

Rocchini, D.; Cade, B.S.

2008-01-01

Remotely sensed imagery has long been recognized as a powerful support for characterizing and estimating biodiversity. Spectral distance among sites has proven to be a powerful approach for detecting species composition variability. Regression analysis of species similarity versus spectral distance allows us to quantitatively estimate the amount of turnover in species composition with respect to spectral and ecological variability. In classical regression analysis, the residual sum of squares is minimized for the mean of the dependent variable distribution. However, many ecological data sets are characterized by a high number of zeroes that add noise to the regression model. Quantile regressions can be used to evaluate trend in the upper quantiles rather than a mean trend across the whole distribution of the dependent variable. In this letter, we used ordinary least squares (OLS) and quantile regressions to estimate the decay of species similarity versus spectral distance. The achieved decay rates were statistically nonzero (p < 0.01), considering both OLS and quantile regressions. Nonetheless, the OLS regression estimate of the mean decay rate was only half the decay rate indicated by the upper quantiles. Moreover, the intercept value, representing the similarity reached when the spectral distance approaches zero, was very low compared with the intercepts of the upper quantiles, which detected high species similarity when habitats are more similar. In this letter, we demonstrated the power of using quantile regressions applied to spectral distance decay to reveal species diversity patterns otherwise lost or underestimated by OLS regression. ?? 2008 IEEE.

Spectral distance decay: Assessing species beta-diversity by quantile regression

USGS Publications Warehouse

Rocchinl, D.; Nagendra, H.; Ghate, R.; Cade, B.S.

2009-01-01

Remotely sensed data represents key information for characterizing and estimating biodiversity. Spectral distance among sites has proven to be a powerful approach for detecting species composition variability. Regression analysis of species similarity versus spectral distance may allow us to quantitatively estimate how beta-diversity in species changes with respect to spectral and ecological variability. In classical regression analysis, the residual sum of squares is minimized for the mean of the dependent variable distribution. However, many ecological datasets are characterized by a high number of zeroes that can add noise to the regression model. Quantile regression can be used to evaluate trend in the upper quantiles rather than a mean trend across the whole distribution of the dependent variable. In this paper, we used ordinary least square (ols) and quantile regression to estimate the decay of species similarity versus spectral distance. The achieved decay rates were statistically nonzero (p < 0.05) considering both ols and quantile regression. Nonetheless, ols regression estimate of mean decay rate was only half the decay rate indicated by the upper quantiles. Moreover, the intercept value, representing the similarity reached when spectral distance approaches zero, was very low compared with the intercepts of upper quantiles, which detected high species similarity when habitats are more similar. In this paper we demonstrated the power of using quantile regressions applied to spectral distance decay in order to reveal species diversity patterns otherwise lost or underestimated by ordinary least square regression. ?? 2009 American Society for Photogrammetry and Remote Sensing.

Quantitative comparison of the absorption spectra of the gas mixtures in analogy to the criterion of Pearson

NASA Astrophysics Data System (ADS)

Kistenev, Yu. V.; Kuzmin, D. A.; Sandykova, E. A.; Shapovalov, A. V.

2015-11-01

An approach to the reduction of the space of the absorption spectra, based on the original criterion for profile analysis of the spectra, was proposed. This criterion dates back to the known statistics chi-square test of Pearson. Introduced criterion allows to quantify the differences of spectral curves.

Multi-spectral digital holographic microscopy for enhanced quantitative phase imaging of living cells

NASA Astrophysics Data System (ADS)

Kemper, Björn; Kastl, Lena; Schnekenburger, Jürgen; Ketelhut, Steffi

2018-02-01

Main restrictions of using laser light in digital holographic microscopy (DHM) are coherence induced noise and parasitic reflections in the experimental setup which limit resolution and measurement accuracy. We explored, if coherence properties of partial coherent light sources can be generated synthetically utilizing spectrally tunable lasers. The concept of the method is demonstrated by label-free quantitative phase imaging of living pancreatic tumor cells and utilizing an experimental configuration including a commercial microscope and a laser source with a broad tunable spectral range of more than 200 nm.

Quantitative spectroscopy of extreme helium stars Model atmospheres and a non-LTE abundance analysis of BD+10°2179

NASA Astrophysics Data System (ADS)

Kupfer, T.; Przybilla, N.; Heber, U.; Jeffery, C. S.; Behara, N. T.; Butler, K.

2017-10-01

Extreme helium stars (EHe stars) are hydrogen-deficient supergiants of spectral type A and B. They are believed to result from mergers in double degenerate systems. In this paper, we present a detailed quantitative non-LTE spectral analysis for BD+10°2179, a prototype of this rare class of stars, using UV-Visual Echelle Spectrograph and Fiber-fed Extended Range Optical Spectrograph spectra covering the range from ˜3100 to 10 000 Å. Atmosphere model computations were improved in two ways. First, since the UV metal line blanketing has a strong impact on the temperature-density stratification, we used the atlas12 code. Additionally, We tested atlas12 against the benchmark code sterne3, and found only small differences in the temperature and density stratifications, and good agreement with the spectral energy distributions. Secondly, 12 chemical species were treated in non-LTE. Pronounced non-LTE effects occur in individual spectral lines but, for the majority, the effects are moderate to small. The spectroscopic parameters give Teff =17 300±300 K and log g = 2.80±0.10, and an evolutionary mass of 0.55±0.05 M⊙. The star is thus slightly hotter, more compact and less massive than found in previous studies. The kinematic properties imply a thick-disc membership, which is consistent with the metallicity [Fe/H] ≈ -1 and α-enhancement. The refined light-element abundances are consistent with the white dwarf merger scenario. We further discuss the observed helium spectrum in an appendix, detecting dipole-allowed transitions from about 150 multiplets plus the most comprehensive set of known/predicted isolated forbidden components to date. Moreover, a so far unreported series of pronounced forbidden He I components is detected in the optical-UV.

Hyperspectral analysis for qualitative and quantitative features related to acid mine drainage at a remediated open-pit mine

NASA Astrophysics Data System (ADS)

Davies, G.; Calvin, W. M.

2015-12-01

The exposure of pyrite to oxygen and water in mine waste environments is known to generate acidity and the accumulation of secondary iron minerals. Sulfates and secondary iron minerals associated with acid mine drainage (AMD) exhibit diverse spectral properties in the ultraviolet, visible and near-infrared regions of the electromagnetic spectrum. The use of hyperspectral imagery for identification of AMD mineralogy and contamination has been well studied. Fewer studies have examined the impacts of hydrologic variations on mapping AMD or the unique spectral signatures of mine waters. Open-pit mine lakes are an additional environmental hazard which have not been widely studied using imaging spectroscopy. A better understanding of AMD variation related to climate fluctuations and the spectral signatures of contaminated surface waters will aid future assessments of environmental contamination. This study examined the ability of multi-season airborne hyperspectral data to identify the geochemical evolution of substances and contaminant patterns at the Leviathan Mine Superfund site. The mine is located 24 miles southeast of Lake Tahoe and contains remnant tailings piles and several AMD collection ponds. The objectives were to 1) distinguish temporal changes in mineralogy at a the remediated open-pit sulfur mine, 2) identify the absorption features of mine affected waters, and 3) quantitatively link water spectra to known dissolved iron concentrations. Images from NASA's AVIRIS instrument were collected in the spring, summer, and fall seasons for two consecutive years at Leviathan (HyspIRI campaign). Images had a spatial resolution of 15 meters at nadir. Ground-based surveys using the ASD FieldSpecPro spectrometer and laboratory spectral and chemical analysis complemented the remote sensing data. Temporal changes in surface mineralogy were difficult to distinguish. However, seasonal changes in pond water quality were identified. Dissolved ferric iron and chlorophyll-a concentrations were determined to be the major influences on pond water spectral variation.

Quantitative characterization of conformational-specific protein-DNA binding using a dual-spectral interferometric imaging biosensor.

PubMed

Zhang, Xirui; Daaboul, George G; Spuhler, Philipp S; Dröge, Peter; Ünlü, M Selim

2016-03-14

DNA-binding proteins play crucial roles in the maintenance and functions of the genome and yet, their specific binding mechanisms are not fully understood. Recently, it was discovered that DNA-binding proteins recognize specific binding sites to carry out their functions through an indirect readout mechanism by recognizing and capturing DNA conformational flexibility and deformation. High-throughput DNA microarray-based methods that provide large-scale protein-DNA binding information have shown effective and comprehensive analysis of protein-DNA binding affinities, but do not provide information of DNA conformational changes in specific protein-DNA complexes. Building on the high-throughput capability of DNA microarrays, we demonstrate a quantitative approach that simultaneously measures the amount of protein binding to DNA and nanometer-scale DNA conformational change induced by protein binding in a microarray format. Both measurements rely on spectral interferometry on a layered substrate using a single optical instrument in two distinct modalities. In the first modality, we quantitate the amount of binding of protein to surface-immobilized DNA in each DNA spot using a label-free spectral reflectivity technique that accurately measures the surface densities of protein and DNA accumulated on the substrate. In the second modality, for each DNA spot, we simultaneously measure DNA conformational change using a fluorescence vertical sectioning technique that determines average axial height of fluorophores tagged to specific nucleotides of the surface-immobilized DNA. The approach presented in this paper, when combined with current high-throughput DNA microarray-based technologies, has the potential to serve as a rapid and simple method for quantitative and large-scale characterization of conformational specific protein-DNA interactions.

Compact characterization of liquid absorption and emission spectra using linear variable filters integrated with a CMOS imaging camera.

PubMed

Wan, Yuhang; Carlson, John A; Kesler, Benjamin A; Peng, Wang; Su, Patrick; Al-Mulla, Saoud A; Lim, Sung Jun; Smith, Andrew M; Dallesasse, John M; Cunningham, Brian T

2016-07-08

A compact analysis platform for detecting liquid absorption and emission spectra using a set of optical linear variable filters atop a CMOS image sensor is presented. The working spectral range of the analysis platform can be extended without a reduction in spectral resolution by utilizing multiple linear variable filters with different wavelength ranges on the same CMOS sensor. With optical setup reconfiguration, its capability to measure both absorption and fluorescence emission is demonstrated. Quantitative detection of fluorescence emission down to 0.28 nM for quantum dot dispersions and 32 ng/mL for near-infrared dyes has been demonstrated on a single platform over a wide spectral range, as well as an absorption-based water quality test, showing the versatility of the system across liquid solutions for different emission and absorption bands. Comparison with a commercially available portable spectrometer and an optical spectrum analyzer shows our system has an improved signal-to-noise ratio and acceptable spectral resolution for discrimination of emission spectra, and characterization of colored liquid's absorption characteristics generated by common biomolecular assays. This simple, compact, and versatile analysis platform demonstrates a path towards an integrated optical device that can be utilized for a wide variety of applications in point-of-use testing and point-of-care diagnostics.

Least-Squares Regression and Spectral Residual Augmented Classical Least-Squares Chemometric Models for Stability-Indicating Analysis of Agomelatine and Its Degradation Products: A Comparative Study.

PubMed

Naguib, Ibrahim A; Abdelrahman, Maha M; El Ghobashy, Mohamed R; Ali, Nesma A

2016-01-01

Two accurate, sensitive, and selective stability-indicating methods are developed and validated for simultaneous quantitative determination of agomelatine (AGM) and its forced degradation products (Deg I and Deg II), whether in pure forms or in pharmaceutical formulations. Partial least-squares regression (PLSR) and spectral residual augmented classical least-squares (SRACLS) are two chemometric models that are being subjected to a comparative study through handling UV spectral data in range (215-350 nm). For proper analysis, a three-factor, four-level experimental design was established, resulting in a training set consisting of 16 mixtures containing different ratios of interfering species. An independent test set consisting of eight mixtures was used to validate the prediction ability of the suggested models. The results presented indicate the ability of mentioned multivariate calibration models to analyze AGM, Deg I, and Deg II with high selectivity and accuracy. The analysis results of the pharmaceutical formulations were statistically compared to the reference HPLC method, with no significant differences observed regarding accuracy and precision. The SRACLS model gives comparable results to the PLSR model; however, it keeps the qualitative spectral information of the classical least-squares algorithm for analyzed components.

Quantitative analysis of sitagliptin using the (19)F-NMR method: a universal technique for fluorinated compound detection.

PubMed

Zhang, Fen-Fen; Jiang, Meng-Hong; Sun, Lin-Lin; Zheng, Feng; Dong, Lei; Shah, Vishva; Shen, Wen-Bin; Ding, Ya

2015-01-07

To expand the application scope of nuclear magnetic resonance (NMR) technology in quantitative analysis of pharmaceutical ingredients, (19)F nuclear magnetic resonance ((19)F-NMR) spectroscopy has been employed as a simple, rapid, and reproducible approach for the detection of a fluorine-containing model drug, sitagliptin phosphate monohydrate (STG). ciprofloxacin (Cipro) has been used as the internal standard (IS). Influential factors, including the relaxation delay time (d1) and pulse angle, impacting the accuracy and precision of spectral data are systematically optimized. Method validation has been carried out in terms of precision and intermediate precision, linearity, limit of detection (LOD) and limit of quantification (LOQ), robustness, and stability. To validate the reliability and feasibility of the (19)F-NMR technology in quantitative analysis of pharmaceutical analytes, the assay result has been compared with that of (1)H-NMR. The statistical F-test and student t-test at 95% confidence level indicate that there is no significant difference between these two methods. Due to the advantages of (19)F-NMR, such as higher resolution and suitability for biological samples, it can be used as a universal technology for the quantitative analysis of other fluorine-containing pharmaceuticals and analytes.

Beyond CCT: The spectral index system as a tool for the objective, quantitative characterization of lamps

NASA Astrophysics Data System (ADS)

Galadí-Enríquez, D.

2018-02-01

Correlated color temperature (CCT) is a semi-quantitative system that roughly describes the spectra of lamps. This parameter gives the temperature (measured in kelvins) of the black body that would show the hue more similar to that of the light emitted by the lamp. Modern lamps for indoor and outdoor lighting display many spectral energy distributions, most of them extremely different to those of black bodies, what makes CCT to be far from a perfect descriptor from the physical point of view. The spectral index system presented in this work provides an accurate, objective, quantitative procedure to characterize the spectral properties of lamps, with just a few numbers. The system is an adaptation to lighting technology of the classical procedures of multi-band astronomical photometry with wide and intermediate-band filters. We describe the basic concepts and we apply the system to a representative set of lamps of many kinds. The results lead to interesting, sometimes surprising conclusions. The spectral index system is extremely easy to implement from the spectral data that are routinely measured at laboratories. Thus, including this kind of computations in the standard protocols for the certification of lamps will be really straightforward, and will enrich the technical description of lighting devices.

Standard Reference Line Combined with One-Point Calibration-Free Laser-Induced Breakdown Spectroscopy (CF-LIBS) to Quantitatively Analyze Stainless and Heat Resistant Steel.

PubMed

Fu, Hongbo; Wang, Huadong; Jia, Junwei; Ni, Zhibo; Dong, Fengzhong

2018-01-01

Due to the influence of major elements' self-absorption, scarce observable spectral lines of trace elements, and relative efficiency correction of experimental system, accurate quantitative analysis with calibration-free laser-induced breakdown spectroscopy (CF-LIBS) is in fact not easy. In order to overcome these difficulties, standard reference line (SRL) combined with one-point calibration (OPC) is used to analyze six elements in three stainless-steel and five heat-resistant steel samples. The Stark broadening and Saha - Boltzmann plot of Fe are used to calculate the electron density and the plasma temperature, respectively. In the present work, we tested the original SRL method, the SRL with the OPC method, and intercept with the OPC method. The final calculation results show that the latter two methods can effectively improve the overall accuracy of quantitative analysis and the detection limits of trace elements.

Comparative Discussion on Psychophysiological Effect of Self-administered Facial Massage by Treatment Method

NASA Astrophysics Data System (ADS)

Nozawa, Akio; Takei, Yuya

The aim of study was to quantitatively evaluate the effects of self-administered facial massage, which was done by hand or facial roller. In this study, the psychophysiological effects of facial massage were evaluated. The central nerves system and the autonomic nervous system were administered to evaluate physiological system. The central nerves system was assessed by Electroencephalogram (EEG). The autonomic nervous system were assessed by peripheral skin temperature(PST) and heart rate variability (HRV) with spectral analysis. In the spectral analysis of HRV, the high-frequency components (HF) were evaluated. State-Trait Anxiety Inventory (STAI), Profile of Mood Status (POMS) and subjective sensory amount with Visual Analog Scale (VAS) were administered to evaluate psychological status. These results suggest that kept brain activity and had strong effects on stress alleviation.

A method based on IHS cylindrical transform model for quality assessment of image fusion

NASA Astrophysics Data System (ADS)

Zhu, Xiaokun; Jia, Yonghong

2005-10-01

Image fusion technique has been widely applied to remote sensing image analysis and processing, and methods for quality assessment of image fusion in remote sensing have also become the research issues at home and abroad. Traditional assessment methods combine calculation of quantitative indexes and visual interpretation to compare fused images quantificationally and qualitatively. However, in the existing assessment methods, there are two defects: on one hand, most imdexes lack the theoretic support to compare different fusion methods. On the hand, there is not a uniform preference for most of the quantitative assessment indexes when they are applied to estimate the fusion effects. That is, the spatial resolution and spectral feature could not be analyzed synchronously by these indexes and there is not a general method to unify the spatial and spectral feature assessment. So in this paper, on the basis of the approximate general model of four traditional fusion methods, including Intensity Hue Saturation(IHS) triangle transform fusion, High Pass Filter(HPF) fusion, Principal Component Analysis(PCA) fusion, Wavelet Transform(WT) fusion, a correlation coefficient assessment method based on IHS cylindrical transform is proposed. By experiments, this method can not only get the evaluation results of spatial and spectral features on the basis of uniform preference, but also can acquire the comparison between fusion image sources and fused images, and acquire differences among fusion methods. Compared with the traditional assessment methods, the new methods is more intuitionistic, and in accord with subjective estimation.

Superpixel-based spectral classification for the detection of head and neck cancer with hyperspectral imaging

NASA Astrophysics Data System (ADS)

Chung, Hyunkoo; Lu, Guolan; Tian, Zhiqiang; Wang, Dongsheng; Chen, Zhuo Georgia; Fei, Baowei

2016-03-01

Hyperspectral imaging (HSI) is an emerging imaging modality for medical applications. HSI acquires two dimensional images at various wavelengths. The combination of both spectral and spatial information provides quantitative information for cancer detection and diagnosis. This paper proposes using superpixels, principal component analysis (PCA), and support vector machine (SVM) to distinguish regions of tumor from healthy tissue. The classification method uses 2 principal components decomposed from hyperspectral images and obtains an average sensitivity of 93% and an average specificity of 85% for 11 mice. The hyperspectral imaging technology and classification method can have various applications in cancer research and management.

The computer treatment of remotely sensed data: An introduction to techniques which have geologic applications. [image enhancement and thematic classification in Brazil

NASA Technical Reports Server (NTRS)

Parada, N. D. J. (Principal Investigator); Paradella, W. R.; Vitorello, I.

1982-01-01

Several aspects of computer-assisted analysis techniques for image enhancement and thematic classification by which LANDSAT MSS imagery may be treated quantitatively are explained. On geological applications, computer processing of digital data allows, possibly, the fullest use of LANDSAT data, by displaying enhanced and corrected data for visual analysis and by evaluating and assigning each spectral pixel information to a given class.

A field- and laboratory-based quantitative analysis of alluvium: Relating analytical results to TIMS data

NASA Technical Reports Server (NTRS)

Wenrich, Melissa L.; Hamilton, Victoria E.; Christensen, Philip R.

1995-01-01

Thermal Infrared Multispectral Scanner (TIMS) data were acquired over the McDowell Mountains northeast of Scottsdale, Arizona during August 1994. The raw data were processed to emphasize lithologic differences using a decorrelation stretch and assigning bands 5, 3, and 1 to red, green, and blue, respectively. Processed data of alluvium flanking the mountains exhibit moderate color variation. The objective of this study was to determine, using a quantitative approach, what environmental variable(s), in the absence of bedrock, is/are responsible for influencing the spectral properties of the desert alluvial surface.

Multispectral analysis of ocean dumped materials

NASA Technical Reports Server (NTRS)

Johnson, R. W.

1977-01-01

Experiments conducted in the Atlantic coastal zone indicated that plumes resulting from ocean dumping of acid wastes and sewage sludge have unique spectral characteristics. Remotely sensed wide area synoptic coverage provided information on these pollution features that was not readily available from other sources. Aircraft remotely sensed photographic and multispectral scanner data were interpreted by two methods. First, qualitative analyses in which pollution features were located, mapped, and identified without concurrent sea truth and, second, quantitative analyses in which concurrently collected sea truth was used to calibrate the remotely sensed data and to determine quantitative distributions of one or more parameters in a plume.

INFRARED SPECTROSCOPY: A TOOL FOR DETERMINATION OF THE DEGREE OF CONVERSION IN DENTAL COMPOSITES

PubMed Central

Moraes, Luciene Gonçalves Palmeira; Rocha, Renata Sanches Ferreira; Menegazzo, Lívia Maluf; de AraÚjo, Eudes Borges; Yukimitu, Keizo; Moraes, João Carlos Silos

2008-01-01

Infrared spectroscopy is one of the most widely used techniques for measurement of conversion degree in dental composites. However, to obtain good quality spectra and quantitative analysis from spectral data, appropriate expertise and knowledge of the technique are mandatory. This paper presents important details to use infrared spectroscopy for determination of the conversion degree. PMID:19089207

Comparative spectral analysis of veterinary powder product by continuous wavelet and derivative transforms

NASA Astrophysics Data System (ADS)

Dinç, Erdal; Kanbur, Murat; Baleanu, Dumitru

2007-10-01

Comparative simultaneous determination of chlortetracycline and benzocaine in the commercial veterinary powder product was carried out by continuous wavelet transform (CWT) and classical derivative transform (or classical derivative spectrophotometry). In this quantitative spectral analysis, two proposed analytical methods do not require any chemical separation process. In the first step, several wavelet families were tested to find an optimal CWT for the overlapping signal processing of the analyzed compounds. Subsequently, we observed that the coiflets (COIF-CWT) method with dilation parameter, a = 400, gives suitable results for this analytical application. For a comparison, the classical derivative spectrophotometry (CDS) approach was also applied to the simultaneous quantitative resolution of the same analytical problem. Calibration functions were obtained by measuring the transform amplitudes corresponding to zero-crossing points for both CWT and CDS methods. The utility of these two analytical approaches were verified by analyzing various synthetic mixtures consisting of chlortetracycline and benzocaine and they were applied to the real samples consisting of veterinary powder formulation. The experimental results obtained from the COIF-CWT approach were statistically compared with those obtained by classical derivative spectrophotometry and successful results were reported.

[On-Orbit Multispectral Sensor Characterization Based on Spectral Tarps].

PubMed

Li, Xin; Zhang, Li-ming; Chen, Hong-yao; Xu, Wei-wei

2016-03-01

The multispectral remote sensing technology has been a primary means in the research of biomass monitoring, climate change, disaster prediction and etc. The spectral sensitivity is essential in the quantitative analysis of remote sensing data. When the sensor is running in the space, it will be influenced by cosmic radiation, severe change of temperature, chemical molecular contamination, cosmic dust and etc. As a result, the spectral sensitivity will degrade by time, which has great implication on the accuracy and consistency of the physical measurements. This paper presents a characterization method of the degradation based on man-made spectral targets. Firstly, a degradation model is established in the paper. Then, combined with equivalent reflectance of spectral targets measured and inverted from image, the degradation characterization can be achieved. The simulation and on orbit experiment results showed that, using the proposed method, the change of center wavelength and band width can be monotored. The method proposed in the paper has great significance for improving the accuracy of long time series remote sensing data product and comprehensive utilization level of multi sensor data products.

THE VIEWING ANGLES OF BROAD ABSORPTION LINE VERSUS UNABSORBED QUASARS

DOE Office of Scientific and Technical Information (OSTI.GOV)

DiPompeo, M. A.; Brotherton, M. S.; De Breuck, C.

2012-06-10

It was recently shown that there is a significant difference in the radio spectral index distributions of broad absorption line (BAL) quasars and unabsorbed quasars, with an overabundance of BAL quasars with steeper radio spectra. This result suggests that source orientation does play into the presence or absence of BAL features. In this paper, we provide more quantitative analysis of this result based on Monte Carlo simulations. While the relationship between viewing angle and spectral index does indeed contain a lot of scatter, the spectral index distributions are different enough to overcome that intrinsic variation. Utilizing two different models ofmore » the relationship between spectral index and viewing angle, the simulations indicate that the difference in spectral index distributions can be explained by allowing BAL quasar viewing angles to extend about 10 Degree-Sign farther from the radio jet axis than non-BAL sources, though both can be seen at small angles. These results show that orientation cannot be the only factor determining whether BAL features are present, but it does play a role.« less

Use of vegetation indices to estimate intercepted solar radiation and net carbon dioxide exchange of a grass canopy

NASA Technical Reports Server (NTRS)

Bartlett, David S.; Whiting, Gary J.; Hartman, Jean M.

1989-01-01

Results are presented from field experiments relating spectral reflectance to intercepted photosynthetically active radiation (PAR) and net CO2 exchange in a natural canopy composed of the marsh cordgrass (Spartina alterniflora). Reflectance measurements made by a hand-held radiometer with Landsat TM spectral wavebands are used to compute remote sensing indices such as the normalized difference vegetation index. Consideration is given to the impact of standing dead canopy material on the relationship between intercepted PAR and spectral vegetation indices and the impact of changes in photosynthetic efficiency on the relationship between vegetation indices and CO2 exchange rates. The results suggest that quantitative remote assessment of photosynthesis and net gas exchange in natural vegetation is feasible, especially if the analysis incorporates information on biological responses to environmental variables.

Tropical Pacific moisture variability: Its detection, synoptic structure and consequences in the general circulation

NASA Technical Reports Server (NTRS)

Mcguirk, James P.

1990-01-01

Satellite data analysis tools are developed and implemented for the diagnosis of atmospheric circulation systems over the tropical Pacific Ocean. The tools include statistical multi-variate procedures, a multi-spectral radiative transfer model, and the global spectral forecast model at NMC. Data include in-situ observations; satellite observations from VAS (moisture, infrared and visible) NOAA polar orbiters (including Tiros Operational Satellite System (TOVS) multi-channel sounding data and OLR grids) and scanning multichannel microwave radiometer (SMMR); and European Centre for Medium Weather Forecasts (ECHMWF) analyses. A primary goal is a better understanding of the relation between synoptic structures of the area, particularly tropical plumes, and the general circulation, especially the Hadley circulation. A second goal is the definition of the quantitative structure and behavior of all Pacific tropical synoptic systems. Finally, strategies are examined for extracting new and additional information from existing satellite observations. Although moisture structure is emphasized, thermal patterns are also analyzed. Both horizontal and vertical structures are studied and objective quantitative results are emphasized.

Considerations on the quantitative analysis of apparent amorphicity of milled lactose by Raman spectroscopy.

PubMed

Pazesh, Samaneh; Lazorova, Lucia; Berggren, Jonas; Alderborn, Göran; Gråsjö, Johan

2016-09-10

The main purpose of the study was to evaluate various pre-processing and quantification approaches of Raman spectrum to quantify low level of amorphous content in milled lactose powder. To improve the quantification analysis, several spectral pre-processing methods were used to adjust background effects. The effects of spectral noise on the variation of determined amorphous content were also investigated theoretically by propagation of error analysis and were compared to the experimentally obtained values. Additionally, the applicability of calibration method with crystalline or amorphous domains in the estimation of amorphous content in milled lactose powder was discussed. Two straight baseline pre-processing methods gave the best and almost equal performance. By the succeeding quantification methods, PCA performed best, although the classical least square analysis (CLS) gave comparable results, while peak parameter analysis displayed to be inferior. The standard deviations of experimental determined percentage amorphous content were 0.94% and 0.25% for pure crystalline and pure amorphous samples respectively, which was very close to the standard deviation values from propagated spectral noise. The reasonable conformity between the milled samples spectra and synthesized spectra indicated representativeness of physical mixtures with crystalline or amorphous domains in the estimation of apparent amorphous content in milled lactose. Copyright © 2016 The Author(s). Published by Elsevier B.V. All rights reserved.

Optimum thermal infrared bands for mapping general rock type and temperature from space

NASA Technical Reports Server (NTRS)

Holmes, Q. A.; Nueesch, D. R.; Vincent, R. K.

1980-01-01

A study was carried out to determine quantitatively the number and location of spectral bands required to perform general rock type discrimination from spaceborne imaging sensors using only thermal infrared measurements. Beginning with laboratory spectra collected under idealized conditions from relatively well-characterized homogeneous samples, a radiative transfer model was used to transform ground exitance values into the corresponding spectral radiance at the top of the atmosphere. Taking sensor noise into account, analysis of these data revealed that three 1 micron wide spectral bands would permit independent estimations of rock type and sample temperature from a satellite infrared multispectral scanner. This study, which ignores the mixing of terrain elements within the instantaneous field of view of a satellite scanner, indicates that the location of three spectral bands at 8.1-9.1, 9.5-10.5, and 11.0-12.0 microns, and the employment of appropriate preprocessing to minimize atmospheric effects makes it possible to predict general rock type and temperature for a variety of atmospheric states and temperatures.

Electron scattering, charge order, and pseudogap physics in La 1.6–xNd 0.4Sr xCuO 4: An angle-resolved photoemission spectroscopy study

DOE PAGES

Matt, C. E.; Fatuzzo, C. G.; Sassa, Y.; ...

2015-10-27

We report an angle-resolved photoemission study of the charge stripe ordered La 1.6–xNd 0.4Sr xCuO 4 (Nd-LSCO) system. A comparative and quantitative line-shape analysis is presented as the system evolves from the overdoped regime into the charge ordered phase. On the overdoped side (x = 0.20), a normal-state antinodal spectral gap opens upon cooling below 80 K. In this process, spectral weight is preserved but redistributed to larger energies. A correlation between this spectral gap and electron scattering is found. A different line shape is observed in the antinodal region of charge ordered Nd-LSCO x = 1/8. Significant low-energy spectralmore » weight appears to be lost. As a result, these observations are discussed in terms of spectral-weight redistribution and gapping originating from charge stripe ordering.« less

Optimum thermal infrared bands for mapping general rock type and temperature from space

NASA Technical Reports Server (NTRS)

Holmes, Q. A.; Nuesch, D. R.

1978-01-01

A study was carried out to determine quantitatively the number and locations of spectral bands required to perform general rock-type discrimination from spaceborne imaging sensors using only thermal infrared measurements. Beginning with laboratory spectra collected under idealized conditions from relatively well characterized, homogeneous samples, a radiative transfer model was employed to transform ground exitance values into the corresponding spectral radiance at the top of the atmosphere. Taking sensor noise into account analysis of these data revealed that three 1 micrometer wide spectral bands would permit independent estimators of rock-type and sample temperature from a satellite infrared multispectral scanner. This study, indicates that the location of three spectral bands at 8.1-9.1 micrometers, 9.5-10.5 micrometers and 11.0-12.0 micrometers, and the employment of appropriate preprocessing to minimize atmospheric effects makes it possible to predict general rock-type and temperature for a variety of atmospheric states and temperatures.

Visualization techniques to aid in the analysis of multispectral astrophysical data sets

NASA Technical Reports Server (NTRS)

Brugel, E. W.; Domik, Gitta O.; Ayres, T. R.

1993-01-01

The goal of this project was to support the scientific analysis of multi-spectral astrophysical data by means of scientific visualization. Scientific visualization offers its greatest value if it is not used as a method separate or alternative to other data analysis methods but rather in addition to these methods. Together with quantitative analysis of data, such as offered by statistical analysis, image or signal processing, visualization attempts to explore all information inherent in astrophysical data in the most effective way. Data visualization is one aspect of data analysis. Our taxonomy as developed in Section 2 includes identification and access to existing information, preprocessing and quantitative analysis of data, visual representation and the user interface as major components to the software environment of astrophysical data analysis. In pursuing our goal to provide methods and tools for scientific visualization of multi-spectral astrophysical data, we therefore looked at scientific data analysis as one whole process, adding visualization tools to an already existing environment and integrating the various components that define a scientific data analysis environment. As long as the software development process of each component is separate from all other components, users of data analysis software are constantly interrupted in their scientific work in order to convert from one data format to another, or to move from one storage medium to another, or to switch from one user interface to another. We also took an in-depth look at scientific visualization and its underlying concepts, current visualization systems, their contributions and their shortcomings. The role of data visualization is to stimulate mental processes different from quantitative data analysis, such as the perception of spatial relationships or the discovery of patterns or anomalies while browsing through large data sets. Visualization often leads to an intuitive understanding of the meaning of data values and their relationships by sacrificing accuracy in interpreting the data values. In order to be accurate in the interpretation, data values need to be measured, computed on, and compared to theoretical or empirical models (quantitative analysis). If visualization software hampers quantitative analysis (which happens with some commercial visualization products), its use is greatly diminished for astrophysical data analysis. The software system STAR (Scientific Toolkit for Astrophysical Research) was developed as a prototype during the course of the project to better understand the pragmatic concerns raised in the project. STAR led to a better understanding on the importance of collaboration between astrophysicists and computer scientists. Twenty-one examples of the use of visualization for astrophysical data are included with this report. Sixteen publications related to efforts performed during or initiated through work on this project are listed at the end of this report.

Evaluation of 1H NMR metabolic profiling using biofluid mixture design.

PubMed

Athersuch, Toby J; Malik, Shahid; Weljie, Aalim; Newton, Jack; Keun, Hector C

2013-07-16

A strategy for evaluating the performance of quantitative spectral analysis tools in conditions that better approximate background variation in a metabonomics experiment is presented. Three different urine samples were mixed in known proportions according to a {3, 3} simplex lattice experimental design and analyzed in triplicate by 1D (1)H NMR spectroscopy. Fifty-four urinary metabolites were subsequently quantified from the sample spectra using two methods common in metabolic profiling studies: (1) targeted spectral fitting and (2) targeted spectral integration. Multivariate analysis using partial least-squares (PLS) regression showed the latent structure of the spectral set recapitulated the experimental mixture design. The goodness-of-prediction statistic (Q(2)) of each metabolite variable in a PLS model was calculated as a metric for the reliability of measurement, across the sample compositional space. Several metabolites were observed to have low Q(2) values, largely as a consequence of their spectral resonances having low s/n or strong overlap with other sample components. This strategy has the potential to allow evaluation of spectral features obtained from metabolic profiling platforms in the context of the compositional background found in real biological sample sets, which may be subject to considerable variation. We suggest that it be incorporated into metabolic profiling studies to improve the estimation of matrix effects that confound accurate metabolite measurement. This novel method provides a rational basis for exploiting information from several samples in an efficient manner and avoids the use of multiple spike-in authentic standards, which may be difficult to obtain.

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

NASA Technical Reports Server (NTRS)

Johnson, R. W.

1980-01-01

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.

Quantitative topographic differentiation of the neonatal EEG.

PubMed

Paul, Karel; Krajca, Vladimír; Roth, Zdenek; Melichar, Jan; Petránek, Svojmil

2006-09-01

To test the discriminatory topographic potential of a new method of the automatic EEG analysis in neonates. A quantitative description of the neonatal EEG can contribute to the objective assessment of the functional state of the brain, and may improve the precision of diagnosing cerebral dysfunctions manifested by 'disorganization', 'dysrhythmia' or 'dysmaturity'. 21 healthy, full-term newborns were examined polygraphically during sleep (EEG-8 referential derivations, respiration, ECG, EOG, EMG). From each EEG record, two 5-min samples (one from the middle of quiet sleep, the other from the middle of active sleep) were subject to subsequent automatic analysis and were described by 13 variables: spectral features and features describing shape and variability of the signal. The data from individual infants were averaged and the number of variables was reduced by factor analysis. All factors identified by factor analysis were statistically significantly influenced by the location of derivation. A large number of statistically significant differences were also established when comparing the effects of individual derivations on each of the 13 measured variables. Both spectral features and features describing shape and variability of the signal are largely accountable for the topographic differentiation of the neonatal EEG. The presented method of the automatic EEG analysis is capable to assess the topographic characteristics of the neonatal EEG, and it is adequately sensitive and describes the neonatal electroencephalogram with sufficient precision. The discriminatory capability of the used method represents a promise for their application in the clinical practice.

Automated thermal mapping techniques using chromatic image analysis

NASA Technical Reports Server (NTRS)

Buck, Gregory M.

1989-01-01

Thermal imaging techniques are introduced using a chromatic image analysis system and temperature sensitive coatings. These techniques are used for thermal mapping and surface heat transfer measurements on aerothermodynamic test models in hypersonic wind tunnels. Measurements are made on complex vehicle configurations in a timely manner and at minimal expense. The image analysis system uses separate wavelength filtered images to analyze surface spectral intensity data. The system was initially developed for quantitative surface temperature mapping using two-color thermographic phosphors but was found useful in interpreting phase change paint and liquid crystal data as well.

Direct spectral analysis of tea samples using 266 nm UV pulsed laser-induced breakdown spectroscopy and cross validation of LIBS results with ICP-MS.

PubMed

Gondal, M A; Habibullah, Y B; Baig, Umair; Oloore, L E

2016-05-15

Tea is one of the most common and popular beverages spanning vast array of cultures all over the world. The main nutritional benefits of drinking tea are its anti-oxidant properties, presumed protection against certain cancers, inhibition of inflammation and possible protective effects against diabetes. Laser induced breakdown spectrometer (LIBS) was assembled as a powerful tool for qualitative and quantitative analysis of various brands of tea samples using 266 nm pulsed UV laser. LIBS spectra for six brands of tea samples in the wavelength range of 200-900 nm was recorded and all elements present in our tea samples were identified. The major toxic elements detected in several brands of tea samples were bromine, chromium and minerals like iron, calcium, potassium and silicon. The spectral assignment was conducted prior to the determination of concentration of each element. For quantitative analysis, calibration curves were drawn for each element using standard samples prepared in known concentration in the tea matrix. The plasma parameters (electron temperature and electron density) were also determined prior to the tea samples spectroscopic analysis. The concentration of iron, chromium, potassium, bromine, copper, silicon and calcium detected in all tea samples was between 378-656, 96-124, 1421-6785, 99-1476, 17-36, 2-11 and 92-130 mg L(-1) respectively. The limits of detection estimated for Fe, Cr, K, Br, Cu, Si, Ca in tea samples were 22, 12, 14, 11, 6, 1 and 12 mg L(-1) respectively. To further confirm the accuracy of our LIBS results, we determined the concentration of each element present in tea samples by using standard analytical technique like ICP-MS. The concentrations detected with our LIBS system are in excellent agreement with ICP-MS results. The system assembled for spectral analysis in this work could be highly applicable for testing the quality and purity of food and also pharmaceuticals products. Copyright © 2016 Elsevier B.V. All rights reserved.

Quantitative analysis of Ni2+/Ni3+ in Li[NixMnyCoz]O2 cathode materials: Non-linear least-squares fitting of XPS spectra

NASA Astrophysics Data System (ADS)

Fu, Zewei; Hu, Juntao; Hu, Wenlong; Yang, Shiyu; Luo, Yunfeng

2018-05-01

Quantitative analysis of Ni2+/Ni3+ using X-ray photoelectron spectroscopy (XPS) is important for evaluating the crystal structure and electrochemical performance of Lithium-nickel-cobalt-manganese oxide (Li[NixMnyCoz]O2, NMC). However, quantitative analysis based on Gaussian/Lorentzian (G/L) peak fitting suffers from the challenges of reproducibility and effectiveness. In this study, the Ni2+ and Ni3+ standard samples and a series of NMC samples with different Ni doping levels were synthesized. The Ni2+/Ni3+ ratios in NMC were quantitatively analyzed by non-linear least-squares fitting (NLLSF). Two Ni 2p overall spectra of synthesized Li [Ni0.33Mn0.33Co0.33]O2(NMC111) and bulk LiNiO2 were used as the Ni2+ and Ni3+ reference standards. Compared to G/L peak fitting, the fitting parameters required no adjustment, meaning that the spectral fitting process was free from operator dependence and the reproducibility was improved. Comparison of residual standard deviation (STD) showed that the fitting quality of NLLSF was superior to that of G/L peaks fitting. Overall, these findings confirmed the reproducibility and effectiveness of the NLLSF method in XPS quantitative analysis of Ni2+/Ni3+ ratio in Li[NixMnyCoz]O2 cathode materials.

Quantitative classification of cryptosporidium oocysts and giardia cysts in water using UV/vis spectroscopy

NASA Astrophysics Data System (ADS)

Bacon, Christina P.; Rose, J. B.; Patten, K.; Garcia-Rubio, Luis H.

1995-05-01

Cryptosporidium and Giardia are enteric protozoa which cause waterborne diseases. To date, the detection of these organisms in water has relied upon microscopic immunofluorescent assay technology which uses antibodies directed against the cyst and oocyst forms of the protozoa. In this paper, the uv/vis extinction spectra of aqueous dispersions of Cryptosporidium and Giardia have been studied to investigate the potential use of light scattering-spectral deconvolution techniques as a rapid method for the identification and quantification of protozoa in water. Examination of purified samples of Cryptosporidium and Giardia suggests that spectral features apparent in the short wavelength region of the uv/vis spectra contain information that may be species specific for each protozoa. The spectral characteristics, as well as the particle size analysis, determined from the same spectra, allow for the quantitative classification, identification, and possibly, the assessment of the viability of the protozoa. To further increase the sensitivity of this technique, specific antibodies direction against these organisms, labelled with FITC and rhodamine are being used. It is demonstrated that uv/vis spectroscopy provides an alternative method for the characterization of Giardia and Cryptosporidium. The simplicity and reproducibility of uv/vis spectroscopy measurements makes this technique ideally suited for the development of on-line instrumentation for the rapid detection of microorganisms in water supplies.

Differential quantitative proteomics of Porphyromonas gingivalis by linear ion trap mass spectrometry: non-label methods comparison, q-values and LOWESS curve fitting

PubMed Central

Xia, Qiangwei; Wang, Tiansong; Park, Yoonsuk; Lamont, Richard J.; Hackett, Murray

2009-01-01

Differential analysis of whole cell proteomes by mass spectrometry has largely been applied using various forms of stable isotope labeling. While metabolic stable isotope labeling has been the method of choice, it is often not possible to apply such an approach. Four different label free ways of calculating expression ratios in a classic “two-state” experiment are compared: signal intensity at the peptide level, signal intensity at the protein level, spectral counting at the peptide level, and spectral counting at the protein level. The quantitative data were mined from a dataset of 1245 qualitatively identified proteins, about 56% of the protein encoding open reading frames from Porphyromonas gingivalis, a Gram-negative intracellular pathogen being studied under extracellular and intracellular conditions. Two different control populations were compared against P. gingivalis internalized within a model human target cell line. The q-value statistic, a measure of false discovery rate previously applied to transcription microarrays, was applied to proteomics data. For spectral counting, the most logically consistent estimate of random error came from applying the locally weighted scatter plot smoothing procedure (LOWESS) to the most extreme ratios generated from a control technical replicate, thus setting upper and lower bounds for the region of experimentally observed random error. PMID:19337574

TU-CD-207-01: Characterization of Breast Tissue Composition Using Spectral Mammography

DOE Office of Scientific and Technical Information (OSTI.GOV)

Ding, H; Cho, H; Kumar, N

Purpose: To investigate the feasibility of characterizing the chemical composition of breast tissue, in terms of water and lipid, by using spectral mammography in simulation and postmortem studies. Methods: Analytical simulations were performed to obtain low- and high-energy signals of breast tissue based on previously reported water, lipid, and protein contents. Dual-energy decomposition was used to characterize the simulated breast tissue into water and lipid basis materials and the measured water density was compared to the known value. In experimental studies, postmortem breasts were imaged with a spectral mammography system based on a scanning multi-slit Si strip photon-counting detector. Low-more » and high-energy images were acquired simultaneously from a single exposure by sorting the recorded photons into the corresponding energy bins. Dual-energy material decomposition of the low- and high-energy images yielded individual pixel measurements of breast tissue composition in terms of water and lipid thicknesses. After imaging, each postmortem breast was chemically decomposed into water, lipid and protein. The water density calculated from chemical analysis was used as the reference gold standard. Correlation of the water density measurements between spectral mammography and chemical analysis was analyzed using linear regression. Results: Both simulation and postmortem studies showed good linear correlation between the decomposed water thickness using spectral mammography and chemical analysis. The slope of the linear fitting function in the simulation and postmortem studies were 1.15 and 1.21, respectively. Conclusion: The results indicate that breast tissue composition, in terms of water and lipid, can be accurately measured using spectral mammography. Quantitative breast tissue composition can potentially be used to stratify patients according to their breast cancer risk.« less

High-throughput spectral and lifetime-based FRET screening in living cells to identify small-molecule effectors of SERCA

PubMed Central

Schaaf, Tory M.; Peterson, Kurt C.; Grant, Benjamin D.; Bawaskar, Prachi; Yuen, Samantha; Li, Ji; Muretta, Joseph M.; Gillispie, Gregory D.; Thomas, David D.

2017-01-01

A robust high-throughput screening (HTS) strategy has been developed to discover small-molecule effectors targeting the sarco/endoplasmic reticulum calcium ATPase (SERCA), based on a fluorescence microplate reader that records both the nanosecond decay waveform (lifetime mode) and the complete emission spectrum (spectral mode), with high precision and speed. This spectral unmixing plate reader (SUPR) was used to screen libraries of small molecules with a fluorescence resonance energy transfer (FRET) biosensor expressed in living cells. Ligand binding was detected by FRET associated with structural rearrangements of green (GFP, donor) and red (RFP, acceptor) fluorescent proteins fused to the cardiac-specific SERCA2a isoform. The results demonstrate accurate quantitation of FRET along with high precision of hit identification. Fluorescence lifetime analysis resolved SERCA’s distinct structural states, providing a method to classify small-molecule chemotypes on the basis of their structural effect on the target. The spectral analysis was also applied to flag interference by fluorescent compounds. FRET hits were further evaluated for functional effects on SERCA’s ATPase activity via both a coupled-enzyme assay and a FRET-based calcium sensor. Concentration-response curves indicated excellent correlation between FRET and function. These complementary spectral and lifetime FRET detection methods offer an attractive combination of precision, speed, and resolution for HTS. PMID:27899691

LANDSAT land cover analysis completed for CIRSS/San Bernardino County project

NASA Technical Reports Server (NTRS)

Likens, W.; Maw, K.; Sinnott, D. (Principal Investigator)

1982-01-01

The LANDSAT analysis carried out as part of Ames Research Center's San Bernardino County Project, one of four projects sponsored by NASA as part of the California Integrated Remote Sensing System (CIRSS) effort for generating and utilizing digital geographic data bases, is described. Topics explored include use of data-base modeling with spectral cluster data to improve LANDSAT data classification, and quantitative evaluation of several change techniques. Both 1976 and 1979 LANDSAT data were used in the project.

Compact characterization of liquid absorption and emission spectra using linear variable filters integrated with a CMOS imaging camera

PubMed Central

Wan, Yuhang; Carlson, John A.; Kesler, Benjamin A.; Peng, Wang; Su, Patrick; Al-Mulla, Saoud A.; Lim, Sung Jun; Smith, Andrew M.; Dallesasse, John M.; Cunningham, Brian T.

2016-01-01

A compact analysis platform for detecting liquid absorption and emission spectra using a set of optical linear variable filters atop a CMOS image sensor is presented. The working spectral range of the analysis platform can be extended without a reduction in spectral resolution by utilizing multiple linear variable filters with different wavelength ranges on the same CMOS sensor. With optical setup reconfiguration, its capability to measure both absorption and fluorescence emission is demonstrated. Quantitative detection of fluorescence emission down to 0.28 nM for quantum dot dispersions and 32 ng/mL for near-infrared dyes has been demonstrated on a single platform over a wide spectral range, as well as an absorption-based water quality test, showing the versatility of the system across liquid solutions for different emission and absorption bands. Comparison with a commercially available portable spectrometer and an optical spectrum analyzer shows our system has an improved signal-to-noise ratio and acceptable spectral resolution for discrimination of emission spectra, and characterization of colored liquid’s absorption characteristics generated by common biomolecular assays. This simple, compact, and versatile analysis platform demonstrates a path towards an integrated optical device that can be utilized for a wide variety of applications in point-of-use testing and point-of-care diagnostics. PMID:27389070

Compact characterization of liquid absorption and emission spectra using linear variable filters integrated with a CMOS imaging camera

NASA Astrophysics Data System (ADS)

Wan, Yuhang; Carlson, John A.; Kesler, Benjamin A.; Peng, Wang; Su, Patrick; Al-Mulla, Saoud A.; Lim, Sung Jun; Smith, Andrew M.; Dallesasse, John M.; Cunningham, Brian T.

2016-07-01

A compact analysis platform for detecting liquid absorption and emission spectra using a set of optical linear variable filters atop a CMOS image sensor is presented. The working spectral range of the analysis platform can be extended without a reduction in spectral resolution by utilizing multiple linear variable filters with different wavelength ranges on the same CMOS sensor. With optical setup reconfiguration, its capability to measure both absorption and fluorescence emission is demonstrated. Quantitative detection of fluorescence emission down to 0.28 nM for quantum dot dispersions and 32 ng/mL for near-infrared dyes has been demonstrated on a single platform over a wide spectral range, as well as an absorption-based water quality test, showing the versatility of the system across liquid solutions for different emission and absorption bands. Comparison with a commercially available portable spectrometer and an optical spectrum analyzer shows our system has an improved signal-to-noise ratio and acceptable spectral resolution for discrimination of emission spectra, and characterization of colored liquid’s absorption characteristics generated by common biomolecular assays. This simple, compact, and versatile analysis platform demonstrates a path towards an integrated optical device that can be utilized for a wide variety of applications in point-of-use testing and point-of-care diagnostics.

Quantitative EEG and LORETA: valuable tools in discerning FTD from AD?

PubMed

Caso, Francesca; Cursi, Marco; Magnani, Giuseppe; Fanelli, Giovanna; Falautano, Monica; Comi, Giancarlo; Leocani, Letizia; Minicucci, Fabio

2012-10-01

Drawing a clinical distinction between frontotemporal dementia (FTD) and Alzheimer's disease (AD) is tricky, particularly at the early stages of disease. This study evaluates the possibility in differentiating 39 FTD, 39 AD, and 39 controls (CTR) by means of power spectral analysis and standardized low resolution brain electromagnetic tomography (sLORETA) within delta, theta, alpha 1 and 2, beta 1, 2, and 3 frequency bands. Both analyses revealed in AD patients, relative to CTR, higher expression of diffuse delta/theta and lower central/posterior fast frequency (from alpha1 to beta2) bands. FTD patients showed diffuse increased theta power compared with CTR and lower delta relative to AD patients. Compared with FTD, AD patients showed diffuse higher theta power at spectral analysis and, at sLORETA, decreased alpha2 and beta1 values in central/temporal regions. Spectral analysis and sLORETA provided complementary information that might help characterizing different patterns of electroencephalogram (EEG) oscillatory activity in AD and FTD. Nevertheless, this differentiation was possible only at the group level because single patients could not be discerned with sufficient accuracy. Copyright © 2012 Elsevier Inc. All rights reserved.

[Investigation of quantitative detection of water quality using spectral fluorescence signature].

PubMed

He, Jun-hua; Cheng, Yong-jin; Han, Yan-ling; Zhang, Hao; Yang, Tao

2008-08-01

A method of spectral analysis, which can simultaneously detect dissolved organic matter (DOM) and chlorophyll a (Chl-a) in natural water, was developed in the present paper with the intention of monitoring water quality fast and quantitatively. Firstly, the total luminescence spectra (TLS) of water sample from East Lake in Wuhan city were measured by the use of laser (532 nm) induced fluorescence (LIF). There were obvious peaks of relative intensity at the wavelength value of 580, 651 and 687 nm in the TLS of the sample, which correspond respectively to spectra of DOM, and the Raman scattering of water and Chl-a in the water. Then the spectral fluorescence signature (SFS) technique was adopted to analyze and distinguish spectral characteristics of DOM and Chl-a in natural water. The calibration curves and function expressions, which indicate the relation between the normalized fluorescence intensities of DOM and Chl-a in water and their concentrations, were obtained respectively under the condition of low concentration(< 40 mg x L(-1))by using normalization of Raman scattering spectrum of water. The curves have a high linearity. When the concentration of the solution with humic acid is large (> 40 mg x L(-1)), the Raman scattering signal is totally absorbed by the molecules of humic acid being on the ground state, so the normalization technique can not be adopted. However the function expression between the concentration of the solution with humic acid and its relative fluorescence peak intensity can be acquired directly with the aid of experiment of fluorescence spectrum. It is concluded that although the expression is non-linearity as a whole, there is a excellent linear relation between the fluorescence intensity and concentration of DOM when the concentration is less than 200 mg x L(-1). The method of measurement based on spectral fluorescence signature technique and the calibration curves gained will have prospects of broad application. It can recognize fast what pollutants are and detect quantitatively their contents in water. It is realizable to monitor the quality of natural water with real time, dynamics and inlarge area.

TU-H-CAMPUS-IeP3-04: Evaluation of Changes in Quantitative Ultrasound Parameters During Prostate Radiotherapy

DOE Office of Scientific and Technical Information (OSTI.GOV)

Najafi, M; El Kaffas, A; Han, B

Purpose: Clarity Autoscan ultrasound monitoring system allows acquisition of raw radiofrequency (RF) ultrasound data prior and during radiotherapy. This enables the computation of 3D Quantitative Ultrasound (QUS) tissue parametric maps from. We aim to evaluate whether QUS parameters undergo changes with radiotherapy and thus potentially be used as early predictors and/or markers of treatment response in prostate cancer patients. Methods: In-vivo evaluation was performed under IRB protocol to allow data collection in prostate patients treated with VMAT whereby prostate was imaged through the acoustic window of the perineum. QUS spectroscopy analysis was carried out by computing a tissue power spectrummore » normalized to the power spectrum obtained from a quartz to remove system transfer function effects. A ROI was selected within the 3D image volume of the prostate. Because longitudinal registration was optimal, the same features could be used to select ROIs at roughly the same location in images acquired on different days. Parametric maps were generated within the rectangular ROIs with window sizes that were approximately 8 times the wavelength of the ultrasound. The mid-band fit (MBF), spectral slope (SS) and spectral intercept (SI) QUS parameters were computed for each window within the ROI and displayed as parametric maps. Quantitative parameters were obtained by averaging each of the spectral parameters over the whole ROI. Results: Data was acquired for over 21 treatment fractions. Preliminary results show changes in the parametric maps. MBF values decreased from −33.9 dB to −38.7 dB from pre-treatment to the last day of treatment. The spectral slope increased from −1.1 a.u. to −0.5 a.u., and spectral intercept decreased from −28.2 dB to −36.3 dB over the 21 treatment regimen. Conclusion: QUS parametric maps change over the course of treatment which warrants further investigation in their potential use for treatment planning and predicting treatment outcomes. Research was supported by Elekta.« less

The fundamental parameter method applied to X-ray fluorescence analysis with synchrotron radiation

NASA Astrophysics Data System (ADS)

Pantenburg, F. J.; Beier, T.; Hennrich, F.; Mommsen, H.

1992-05-01

Quantitative X-ray fluorescence analysis applying the fundamental parameter method is usually restricted to monochromatic excitation sources. It is shown here, that such analyses can be performed as well with a white synchrotron radiation spectrum. To determine absolute elemental concentration values it is necessary to know the spectral distribution of this spectrum. A newly designed and tested experimental setup, which uses the synchrotron radiation emitted from electrons in a bending magnet of ELSA (electron stretcher accelerator of the university of Bonn) is presented. The determination of the exciting spectrum, described by the given electron beam parameters, is limited due to uncertainties in the vertical electron beam size and divergence. We describe a method which allows us to determine the relative and absolute spectral distributions needed for accurate analysis. First test measurements of different alloys and standards of known composition demonstrate that it is possible to determine exact concentration values in bulk and trace element analysis.

Quantitative refractive index distribution of single cell by combining phase-shifting interferometry and AFM imaging.

PubMed

Zhang, Qinnan; Zhong, Liyun; Tang, Ping; Yuan, Yingjie; Liu, Shengde; Tian, Jindong; Lu, Xiaoxu

2017-05-31

Cell refractive index, an intrinsic optical parameter, is closely correlated with the intracellular mass and concentration. By combining optical phase-shifting interferometry (PSI) and atomic force microscope (AFM) imaging, we constructed a label free, non-invasive and quantitative refractive index of single cell measurement system, in which the accurate phase map of single cell was retrieved with PSI technique and the cell morphology with nanoscale resolution was achieved with AFM imaging. Based on the proposed AFM/PSI system, we achieved quantitative refractive index distributions of single red blood cell and Jurkat cell, respectively. Further, the quantitative change of refractive index distribution during Daunorubicin (DNR)-induced Jurkat cell apoptosis was presented, and then the content changes of intracellular biochemical components were achieved. Importantly, these results were consistent with Raman spectral analysis, indicating that the proposed PSI/AFM based refractive index system is likely to become a useful tool for intracellular biochemical components analysis measurement, and this will facilitate its application for revealing cell structure and pathological state from a new perspective.

Digital imaging biomarkers feed machine learning for melanoma screening.

PubMed

Gareau, Daniel S; Correa da Rosa, Joel; Yagerman, Sarah; Carucci, John A; Gulati, Nicholas; Hueto, Ferran; DeFazio, Jennifer L; Suárez-Fariñas, Mayte; Marghoob, Ashfaq; Krueger, James G

2017-07-01

We developed an automated approach for generating quantitative image analysis metrics (imaging biomarkers) that are then analysed with a set of 13 machine learning algorithms to generate an overall risk score that is called a Q-score. These methods were applied to a set of 120 "difficult" dermoscopy images of dysplastic nevi and melanomas that were subsequently excised/classified. This approach yielded 98% sensitivity and 36% specificity for melanoma detection, approaching sensitivity/specificity of expert lesion evaluation. Importantly, we found strong spectral dependence of many imaging biomarkers in blue or red colour channels, suggesting the need to optimize spectral evaluation of pigmented lesions. © 2016 The Authors. Experimental Dermatology Published by John Wiley & Sons Ltd.

Near and mid infrared spectroscopy and multivariate data analysis in studies of oxidation of edible oils.

PubMed

Wójcicki, Krzysztof; Khmelinskii, Igor; Sikorski, Marek; Sikorska, Ewa

2015-11-15

Infrared spectroscopic techniques and chemometric methods were used to study oxidation of olive, sunflower and rapeseed oils. Accelerated oxidative degradation of oils at 60°C was monitored using peroxide values and FT-MIR ATR and FT-NIR transmittance spectroscopy. Principal component analysis (PCA) facilitated visualization and interpretation of spectral changes occurring during oxidation. Multivariate curve resolution (MCR) method found three spectral components in the NIR and MIR spectral matrix, corresponding to the oxidation products, and saturated and unsaturated structures. Good quantitative relation was found between peroxide value and contribution of oxidation products evaluated using MCR--based on NIR (R(2) = 0.890), MIR (R(2) = 0.707) and combined NIR and MIR (R(2) = 0.747) data. Calibration models for prediction peroxide value established using partial least squares (PLS) regression were characterized for MIR (R(2) = 0.701, RPD = 1.7), NIR (R(2) = 0.970, RPD = 5.3), and combined NIR and MIR data (R(2) = 0.954, RPD = 3.1). Copyright © 2015 Elsevier Ltd. All rights reserved.

Geospatial compilation of results from field sample collection in support of mineral resource investigations, Western Alaska Range, Alaska, July 2013

USGS Publications Warehouse

Johnson, Michaela R.; Graham, Garth E.; Hubbard, Bernard E.; Benzel, William M.

2015-07-16

This Data Series summarizes results from July 2013 sampling in the western Alaska Range near Mount Estelle, Alaska. The fieldwork combined in situ and camp-based spectral measurements of talus/soil and rock samples. Five rock and 48 soil samples were submitted for quantitative geochemi­cal analysis (for 55 major and trace elements), and the 48 soils samples were also analyzed by x-ray diffraction to establish mineralogy and geochemistry. The results and sample photo­graphs are presented in a geodatabase that accompanies this report. The spectral, mineralogical, and geochemical charac­terization of these samples and the sites that they represent can be used to validate existing remote-sensing datasets (for example, ASTER) and future hyperspectral studies. Empiri­cal evidence of jarosite (as identified by x-ray diffraction and spectral analysis) corresponding with gold concentrations in excess of 50 parts per billion in soil samples suggests that surficial mapping of jarosite in regional surveys may be use­ful for targeting areas of prospective gold occurrences in this sampling area.

Quantifying Vocal Mimicry in the Greater Racket-Tailed Drongo: A Comparison of Automated Methods and Human Assessment

PubMed Central

Agnihotri, Samira; Sundeep, P. V. D. S.; Seelamantula, Chandra Sekhar; Balakrishnan, Rohini

2014-01-01

Objective identification and description of mimicked calls is a primary component of any study on avian vocal mimicry but few studies have adopted a quantitative approach. We used spectral feature representations commonly used in human speech analysis in combination with various distance metrics to distinguish between mimicked and non-mimicked calls of the greater racket-tailed drongo, Dicrurus paradiseus and cross-validated the results with human assessment of spectral similarity. We found that the automated method and human subjects performed similarly in terms of the overall number of correct matches of mimicked calls to putative model calls. However, the two methods also misclassified different subsets of calls and we achieved a maximum accuracy of ninety five per cent only when we combined the results of both the methods. This study is the first to use Mel-frequency Cepstral Coefficients and Relative Spectral Amplitude - filtered Linear Predictive Coding coefficients to quantify vocal mimicry. Our findings also suggest that in spite of several advances in automated methods of song analysis, corresponding cross-validation by humans remains essential. PMID:24603717

Quantitative determination of band distortions in diamond attenuated total reflectance infrared spectra.

PubMed

Boulet-Audet, Maxime; Buffeteau, Thierry; Boudreault, Simon; Daugey, Nicolas; Pézolet, Michel

2010-06-24

Due to its unmatched hardness and chemical inertia, diamond offers many advantages over other materials for extreme conditions and routine analysis by attenuated total reflection (ATR) infrared spectroscopy. Its low refractive index can offer up to a 6-fold absorbance increase compared to germanium. Unfortunately, it also results for strong bands in spectral distortions compared to transmission experiments. The aim of this paper is to present a methodological approach to determine quantitatively the degree of the spectral distortions in ATR spectra. This approach requires the determination of the optical constants (refractive index and extinction coefficient) of the investigated sample. As a typical example, the optical constants of the fibroin protein of the silk worm Bombyx mori have been determined from the polarized ATR spectra obtained using both diamond and germanium internal reflection elements. The positions found for the amide I band by germanium and diamond ATR are respectively 6 and 17 cm(-1) lower than the true value dtermined from the k(nu) spectrum, which is calculated to be 1659 cm(-1). To determine quantitatively the effect of relevant parameters such as the film thickness and the protein concentration, various spectral simulations have also been performed. The use of a thinner film probed by light polarized in the plane of incidence and diluting the protein sample can help in obtaining ATR spectra that are closer to their transmittance counterparts. To extend this study to any system, the ATR distortion amplitude has been evaluated using spectral simulations performed for bands of various intensities and widths. From these simulations, a simple empirical relationship has been found to estimate the band shift from the experimental band height and width that could be of practical use for ATR users. This paper shows that the determination of optical constants provides an efficient way to recover the true spectrum shape and band frequencies of distorted ATR spectra.

Spectral Domain Optical Coherence Tomography in Glaucoma: Qualitative and Quantitative Analysis of the Optic Nerve Head and Retinal Nerve Fiber Layer (An AOS Thesis)

PubMed Central

Chen, Teresa C.

2009-01-01

Purpose: To demonstrate that video-rate spectral domain optical coherence tomography (SDOCT) can qualitatively and quantitatively evaluate optic nerve head (ONH) and retinal nerve fiber layer (RNFL) glaucomatous structural changes. To correlate quantitative SDOCT parameters with disc photography and visual fields. Methods: SDOCT images from 4 glaucoma eyes (4 patients) with varying stages of open-angle glaucoma (ie, early, moderate, late) were qualitatively contrasted with 2 age-matched normal eyes (2 patients). Of 61 other consecutive patients recruited in an institutional setting, 53 eyes (33 patients) met inclusion/exclusion criteria for quantitative studies. Images were obtained using two experimental SDOCT systems, one utilizing a superluminescent diode and the other a titanium:sapphire laser source, with axial resolutions of about 6 μm and 3 μm, respectively. Results: Classic glaucomatous ONH and RNFL structural changes were seen in SDOCT images. An SDOCT reference plane 139 μm above the retinal pigment epithelium yielded cup-disc ratios that best correlated with masked physician disc photography cup-disc ratio assessments. The minimum distance band, a novel SDOCT neuroretinal rim parameter, showed good correlation with physician cup-disc ratio assessments, visual field mean deviation, and pattern standard deviation (P values range, .0003–.024). RNFL and retinal thickness maps correlated well with disc photography and visual field testing. Conclusions: To our knowledge, this thesis presents the first comprehensive qualitative and quantitative evaluation of SDOCT images of the ONH and RNFL in glaucoma. This pilot study provides basis for developing more automated quantitative SDOCT-specific glaucoma algorithms needed for future prospective multicenter national trials. PMID:20126502

IV INTERNATIONAL CONFERENCE ON ATOM AND MOLECULAR PULSED LASERS (AMPL'99): Spectral properties of optical anisotropy induced by laser radiation in dye solutions

NASA Astrophysics Data System (ADS)

Pikulik, L. G.; Chernyavskii, V. A.; Grib, A. F.

2000-06-01

Spectral studies of induced quasi-crystal properties (which can be quantitatively characterised by the difference in the refractive indices of ordinary and extraordinary waves, Δn=no—ne) in Rhodamine 6G and Rhodamine 4C solutions in glycerine excited in the visible and UV ranges of the absorption spectrum are presented. It is demonstrated that the observed spectral dependences of Δn of these dye solutions excited in the visible (long-wavelength) and UV (short-wavelength) ranges of the absorption spectrum can be interpreted in terms of an oscillator model of a molecule. The proposed method for the analysis of induced optical anisotropy in solutions of organic compounds allows the relative orientation of oscillators in a molecule and, thus, the relative orientation of electronic transitions in a molecule to be determined in a reliable way.

Thermal infrared reflectance and emission spectroscopy of quartzofeldspathic glasses

USGS Publications Warehouse

Byrnes, J.M.; Ramsey, M.S.; King, P.L.; Lee, R.J.

2007-01-01

This investigation seeks to better understand the thermal infrared (TIR) spectral characteristics of naturally-occurring amorphous materials through laboratory synthesis and analysis of glasses. Because spectra of glass phases differ markedly from their mineral counterparts, examination of glasses is important to accurately determine the composition of amorphous surface materials using remote sensing datasets. Quantitatively characterizing TIR (5-25 ??m) spectral changes that accompany structural changes between glasses and mineral crystals provides the means to understand natural glasses on Earth and Mars. A suite of glasses with compositions analogous to common terrestrial volcanic glasses was created and analyzed using TIR reflectance and emission techniques. Documented spectral characteristics provide a basis for comparison with TIR spectra of other amorphous materials (glasses, clays, etc.). Our results provide the means to better detect and characterize glasses associated with terrestrial volcanoes, as well as contribute toward understanding the nature of amorphous silicates detected on Mars. Copyright 2007 by the American Geophysical Union.

Application of survival analysis methodology to the quantitative analysis of LC-MS proteomics data.

PubMed

Tekwe, Carmen D; Carroll, Raymond J; Dabney, Alan R

2012-08-01

Protein abundance in quantitative proteomics is often based on observed spectral features derived from liquid chromatography mass spectrometry (LC-MS) or LC-MS/MS experiments. Peak intensities are largely non-normal in distribution. Furthermore, LC-MS-based proteomics data frequently have large proportions of missing peak intensities due to censoring mechanisms on low-abundance spectral features. Recognizing that the observed peak intensities detected with the LC-MS method are all positive, skewed and often left-censored, we propose using survival methodology to carry out differential expression analysis of proteins. Various standard statistical techniques including non-parametric tests such as the Kolmogorov-Smirnov and Wilcoxon-Mann-Whitney rank sum tests, and the parametric survival model and accelerated failure time-model with log-normal, log-logistic and Weibull distributions were used to detect any differentially expressed proteins. The statistical operating characteristics of each method are explored using both real and simulated datasets. Survival methods generally have greater statistical power than standard differential expression methods when the proportion of missing protein level data is 5% or more. In particular, the AFT models we consider consistently achieve greater statistical power than standard testing procedures, with the discrepancy widening with increasing missingness in the proportions. The testing procedures discussed in this article can all be performed using readily available software such as R. The R codes are provided as supplemental materials. ctekwe@stat.tamu.edu.

Raman spectra and phase transitions in Rb{sub 2}KInF{sub 6} elpasolite

DOE Office of Scientific and Technical Information (OSTI.GOV)

Krylov, A. S.; Krylova, S. N., E-mail: slanky@iph.krasn.ru; Vtyurin, A. N.

2011-01-15

The Raman spectra of Rb{sub 2}KInF{sub 6} elpasolite crystal have been studied in a wide temperature range, including two phase transitions: from the cubic phase to the tetragonal phase and then to the monoclinic phase. Several anomalies of internal modes of InF{sub 6} octahedra and low-frequency lattice vibrations, which are related to the structural changes at the transition points, have been found and quantitatively analyzed. The results of a quantitative analysis of the temperature dependences of the parameters of spectral lines are in good agreement with the thermodynamic data on the phase transitions.

Temporal measurement and analysis of high-resolution spectral signatures of plants and relationships to biophysical characteristics

NASA Astrophysics Data System (ADS)

Bostater, Charles R., Jr.; Rebbman, Jan; Hall, Carlton; Provancha, Mark; Vieglais, David

1995-11-01

Measurements of temporal reflectance signatures as a function of growing season for sand live oak (Quercus geminata), myrtle oak (Q. myrtifolia, and saw palmetto (Serenoa repens) were collected during a two year study period. Canopy level spectral reflectance signatures, as a function of 252 channels between 368 and 1115 nm, were collected using near nadir viewing geometry and a consistent sun illumination angle. Leaf level reflectance measurements were made in the laboratory using a halogen light source and an environmental optics chamber with a barium sulfate reflectance coating. Spectral measurements were related to several biophysical measurements utilizing optimal passive ambient correlation spectroscopy (OPACS) technique. Biophysical parameters included percent moisture, water potential (MPa), total chlorophyll, and total Kjeldahl nitrogen. Quantitative data processing techniques were used to determine optimal bands based on the utilization of a second order derivative or inflection estimator. An optical cleanup procedure was then employed that computes the double inflection ratio (DIR) spectra for all possible three band combinations normalized to the previously computed optimal bands. These results demonstrate a unique approach to the analysis of high spectral resolution reflectance signatures for estimation of several biophysical measures of plants at the leaf and canopy level from optimally selected bands or bandwidths.

Spectral Feature Analysis for Quantitative Estimation of Cyanobacteria Chlorophyll-A

NASA Astrophysics Data System (ADS)

Lin, Yi; Ye, Zhanglin; Zhang, Yugan; Yu, Jie

2016-06-01

In recent years, lake eutrophication caused a large of Cyanobacteria bloom which not only brought serious ecological disaster but also restricted the sustainable development of regional economy in our country. Chlorophyll-a is a very important environmental factor to monitor water quality, especially for lake eutrophication. Remote sensed technique has been widely utilized in estimating the concentration of chlorophyll-a by different kind of vegetation indices and monitoring its distribution in lakes, rivers or along coastline. For each vegetation index, its quantitative estimation accuracy for different satellite data might change since there might be a discrepancy of spectral resolution and channel center between different satellites. The purpose this paper is to analyze the spectral feature of chlorophyll-a with hyperspectral data (totally 651 bands) and use the result to choose the optimal band combination for different satellites. The analysis method developed here in this study could be useful to recognize and monitor cyanobacteria bloom automatically and accrately. In our experiment, the reflectance (from 350nm to 1000nm) of wild cyanobacteria in different consistency (from 0 to 1362.11ug/L) and the corresponding chlorophyll-a concentration were measured simultaneously. Two kinds of hyperspectral vegetation indices were applied in this study: simple ratio (SR) and narrow band normalized difference vegetation index (NDVI), both of which consists of any two bands in the entire 651 narrow bands. Then multivariate statistical analysis was used to construct the linear, power and exponential models. After analyzing the correlation between chlorophyll-a and single band reflectance, SR, NDVI respetively, the optimal spectral index for quantitative estimation of cyanobacteria chlorophyll-a, as well corresponding central wavelength and band width were extracted. Results show that: Under the condition of water disturbance, SR and NDVI are both suitable for quantitative estimation of chlorophyll-a, and more effective than the traditional single band model; the best regression models for SR, NDVI with chlorophyll-a are linear and power, respectively. Under the condition without water disturbance, the single band model works the best. For the SR index, there are two optimal band combinations, which is comprised of infrared (700nm-900nm) and blue-green range (450nm-550nm), infrared and red range (600nm-650nm) respectively, with band width between 45nm to 125nm. For NDVI, the optimal band combination includes the range from 750nm to 900nm and 700nm to 750nm, with band width less than 30nm. For single band model, band center located between 733nm-935nm, and its width mustn't exceed the interval where band center located in. This study proved , as for SR or NDVI, the centers and widths are crucial factors for quantitative estimating chlorophyll-a. As for remote sensor, proper spectrum channel could not only improve the accuracy of recognizing cyanobacteria bloom, but reduce the redundancy of hyperspectral data. Those results will provide better reference for designing the suitable spectrum channel of customized sensors for cyanobacteria bloom monitoring at a low altitude. In other words, this study is also the basic research for developing the real-time remote sensing monitoring system with high time and high spatial resolution.

Correlation of Rock Spectra with Quantitative Morphologic Indices: Evidence for a Single Rock Type at the Mars Pathfinder Landing Site

NASA Technical Reports Server (NTRS)

Yingst, R. A.; Biedermann, K. L.; Pierre, N. M.; Haldemann, A. F. C.; Johnson, J. R.

2005-01-01

The Mars Pathfinder (MPF) landing site was predicted to contain a broad sampling of rock types varying in mineralogical, physical, mechanical and geochemical characteristics. Although rocks have been divided into several spectral categories based on Imager for Mars Pathfinder (IMP) visible/near-infrared data, efforts in isolating and classifying spectral units among MPF rocks and soils have met with varying degrees of success, as many factors influencing spectral signatures cannot be quantified to a sufficient level to be removed. It has not been fully determined which spectral categories stem from intrinsic mineralogical differences between rocks or rock surfaces, and which result from factors such as physical or chemical weathering. This has made isolation of unique rock mineralogies difficult. Morphology, like composition, is a characteristic tied to the intrinsic properties and geologic and weathering history of rocks. Rock morphologies can be assessed quantitatively and compared with spectral data, to identify and classify rock types at the MPF landing site. They can also isolate actual rock spectra from spectral types that are surficial in origin, as compositions associated with mantling dust or chemical coatings would presumably not influence rock morphology during weathering events. We previously reported on an initial classification of rocks using the quantitative morphologic indices of size, roundness, sphericity and elongation. Here, we compare this database of rock characteristics with associated rock surface spectra to improve our ability to discriminate between spectra associated with rock types and those from other sources.

Automated Quantitative Spectral Classification of Stars in Areas of the main Meridional Section of the Galaxy

NASA Astrophysics Data System (ADS)

Shvelidze, Teimuraz; Malyuto, Valeri

2015-08-01

Quantitative spectral classification of F, G and K stars with the 70-cm telescope of the Ambastumani Astrophysical Observatory in areas of the main meridional section of the Galaxy, and for which proper motion data are available, has been performed. Fundamental parameters have been obtained for several hundred stars. Space densities of stars of different spectral types, the stellar luminosity function and the relationships between the kinematics and metallicity of stars have been studied. The results have confirmed and completed the conclusions made on the basis of some previous spectroscopic and photometric surveys. Many plates have been obtained for other important directions in the sky: the Kapteyn areas, the Galactic anticentre, the main meridional section of the Galaxy and etc. Very rich collection of photographic objective spectral plates (30,000 were accumulated during last 60 years) is available at Abastumani Observatory-wavelength range 3900-4900 A, about 2A resolution. Availability of new devices for automatic registration of spectra from photographic plates as well as some recently developed classification techniques may allow now to create a modern system of automatic spectral classification and with expension of classification techniques to additional types (B-A, M spectral classes). The data can be treated with the same quantitative method applied here. This method may also be applied to other available and future spectroscopic data of similar resolution, notably that obtained with large format CCD detectors on Schmidt-type telescopes.

Compositional studies of Mare Moscoviense: New perspectives from Chandrayaan-1 VIS-NIR data

NASA Astrophysics Data System (ADS)

Bhatt, Megha; Wöhler, Christian; Dhingra, Deepak; Thangjam, Guneshwar; Rommel, Daniela; Mall, Urs; Bhardwaj, Anil; Grumpe, Arne

2018-03-01

Moscoviense is one of the prominent mare-filled basin on the lunar far side holding key insights about volcanic activity on the far side. Here, we present spectral and elemental maps of mare Moscoviense, using the Moon Mineralogy Mapper (M3) and Infrared Spectrometer-2 (SIR-2) data-sets. The different mare units are mapped based on their spectral properties analyzing both quantitatively (band center, band depth) and qualitatively (Integrated Band Depth composite images), and also using their elemental compositions. We find a total of five distinct spectral units from the basin floor based on the spectral properties. Our analysis suggests that the northern part which was mapped as Iltm unit (Imbrian low Ti, low Fe) by earlier researchers is actually a distinct unit, which is different in composition and age, named as Ivltm unit (Imbrian very low Ti and very low Fe). We obtain the absolute model age of 3.2 Ga with uncertainties of +0.2/ -0.5 Ga for the unit Ivltm. The newly identified basalt unit Ivltm is compositionally intermediate to the units Im and Iltm in FeO and TiO2 abundances. We find a total of five distinct spectral units from the basin floor based on the spectral properties. The units Im (Imbrian very low Ti) from southern and northern regions of the basin floor are spectrally distinct in terms of band center position and corresponding band depths but considered a single unit based on the elemental abundance analysis. The units Ivltm and Im are consistent with a high-Al basalt composition. Our detailed analysis of the entire Moscoviense basin indicates that the concentrations of orthopyroxene, olivine, and Mg-rich spinel, named as OOS rock family are widespread and dominant at the western and southern side of the middle ring of the basin with one isolated area found on the northern side of the peak ring.

An effective approach to quantitative analysis of ternary amino acids in foxtail millet substrate based on terahertz spectroscopy.

PubMed

Lu, Shao Hua; Li, Bao Qiong; Zhai, Hong Lin; Zhang, Xin; Zhang, Zhuo Yong

2018-04-25

Terahertz time-domain spectroscopy has been applied to many fields, however, it still encounters drawbacks in multicomponent mixtures analysis due to serious spectral overlapping. Here, an effective approach to quantitative analysis was proposed, and applied on the determination of the ternary amino acids in foxtail millet substrate. Utilizing three parameters derived from the THz-TDS, the images were constructed and the Tchebichef image moments were used to extract the information of target components. Then the quantitative models were obtained by stepwise regression. The correlation coefficients of leave-one-out cross-validation (R loo-cv 2 ) were more than 0.9595. As for external test set, the predictive correlation coefficients (R p 2 ) were more than 0.8026 and the root mean square error of prediction (RMSE p ) were less than 1.2601. Compared with the traditional methods (PLS and N-PLS methods), our approach is more accurate, robust and reliable, and can be a potential excellent approach to quantify multicomponent with THz-TDS spectroscopy. Copyright © 2017 Elsevier Ltd. All rights reserved.

Microscopy and microanalysis 1996

DOE Office of Scientific and Technical Information (OSTI.GOV)

Bailey, G.W.; Corbett, J.M.; Dimlich, R.V.W.

1996-12-31

The Proceedings of this Annual Meeting contain paper of members from the three societies. These proceedings emphasizes the common research interests and attempts to eliminate some unwanted overlap. Topics covered are: microscopic analysis of animals with altered gene expression and in-situ gene and antibody localizations, high-resolution elemental mapping of nucleoprofein interactions, plant biology and pathology, quantitative HREM analysis of perfect and defected materials, computational methods for TEM image analysis, high-resolution FESM in materials research, frontiers in polymer microscopy and microanalysis, oxidation and corrosion, micro XRD and XRF, molecular microspectroscopy and spectral imaging, advances in confocal and multidimensional light microscopy, analyticalmore » electron microscopy in biology, correlative microscopy in biological sciences, grain-boundary microengineering, surfaces and interfaces, telepresence microscopy in education and research, MSA educational outreach, quantitative electron probe microanalysis, frontiers of analytical electron microscopy, critical issues in ceramic microstructures, dynamic organization of the cell, pathology, microbiology, high-resolution biological and cryo SEM, and scanning-probe microscopy.« less

Quantitative chemical imaging with background-free multiplex coherent anti-Stokes Raman scattering by dual-soliton Stokes pulses

PubMed Central

Chen, Kun; Wu, Tao; Wei, Haoyun; Zhou, Tian; Li, Yan

2016-01-01

Coherent anti-Stokes Raman microscopy (CARS) is a quantitative, chemically specific, and label-free optical imaging technique for studying inhomogeneous systems. However, the complicating influence of the nonresonant response on the CARS signal severely limits its sensitivity and specificity and especially limits the extent to which CARS microscopy has been used as a fully quantitative imaging technique. On the basis of spectral focusing mechanism, we establish a dual-soliton Stokes based CARS microspectroscopy and microscopy scheme capable of quantifying the spatial information of densities and chemical composition within inhomogeneous samples, using a single fiber laser. Dual-soliton Stokes scheme not only removes the nonresonant background but also allows robust acquisition of multiple characteristic vibrational frequencies. This all-fiber based laser source can cover the entire fingerprint (800-2200 cm−1) region with a spectral resolution of 15 cm−1. We demonstrate that quantitative degree determination of lipid-chain unsaturation in the fatty acids mixture can be achieved by the characterization of C = C stretching and CH2 deformation vibrations. For microscopy purposes, we show that the spatially inhomogeneous distribution of lipid droplets can be further quantitatively visualized using this quantified degree of lipid unsaturation in the acyl chain for contrast in the hyperspectral CARS images. The combination of compact excitation source and background-free capability to facilitate extraction of quantitative composition information with multiplex spectral peaks will enable wider applications of quantitative chemical imaging in studying biological and material systems. PMID:27867704

Compilation of a near-infrared library for the construction of quantitative models of amoxicillin and potassium clavulanate oral dosage forms

NASA Astrophysics Data System (ADS)

Zou, Wen-bo; Chong, Xiao-meng; Wang, Yan; Hu, Chang-qin

2018-05-01

The accuracy of NIR quantitative models depends on calibration samples with concentration variability. Conventional sample collecting methods have some shortcomings especially the time-consuming which remains a bottleneck in the application of NIR models for Process Analytical Technology (PAT) control. A study was performed to solve the problem of sample selection collection for construction of NIR quantitative models. Amoxicillin and potassium clavulanate oral dosage forms were used as examples. The aim was to find a normal approach to rapidly construct NIR quantitative models using an NIR spectral library based on the idea of a universal model [2021]. The NIR spectral library of amoxicillin and potassium clavulanate oral dosage forms was defined and consisted of spectra of 377 batches of samples produced by 26 domestic pharmaceutical companies, including tablets, dispersible tablets, chewable tablets, oral suspensions, and granules. The correlation coefficient (rT) was used to indicate the similarities of the spectra. The samples’ calibration sets were selected from a spectral library according to the median rT of the samples to be analyzed. The rT of the samples selected was close to the median rT. The difference in rT of those samples was 1.0% to 1.5%. We concluded that sample selection is not a problem when constructing NIR quantitative models using a spectral library versus conventional methods of determining universal models. The sample spectra with a suitable concentration range in the NIR models were collected quickly. In addition, the models constructed through this method were more easily targeted.

Combined use of quantitative ED-EPMA, Raman microspectrometry, and ATR-FTIR imaging techniques for the analysis of individual particles.

PubMed

Jung, Hae-Jin; Eom, Hyo-Jin; Kang, Hyun-Woo; Moreau, Myriam; Sobanska, Sophie; Ro, Chul-Un

2014-08-21

In this work, quantitative energy-dispersive electron probe X-ray microanalysis (ED-EPMA) (called low-Z particle EPMA), Raman microspectrometry (RMS), and attenuated total reflectance Fourier transform infrared spectroscopic (ATR-FTIR) imaging were applied in combination for the analysis of the same individual airborne particles for the first time. After examining individual particles of micrometer size by low-Z particle EPMA, consecutive examinations by RMS and ATR-FTIR imaging of the same individual particles were then performed. The relocation of the same particles on Al or Ag foils was successfully carried out among the three standalone instruments for several standard samples and an indoor airborne particle sample, resulting in the successful acquisition of quality spectral data from the three single-particle analytical techniques. The combined application of the three techniques to several different standard particles confirmed that those techniques provided consistent and complementary chemical composition information on the same individual particles. Further, it was clearly demonstrated that the three different types of spectral and imaging data from the same individual particles in an indoor aerosol sample provided richer information on physicochemical characteristics of the particle ensemble than that obtainable by the combined use of two single-particle analytical techniques.

High temperature polymer degradation: Rapid IR flow-through method for volatile quantification

DOE Office of Scientific and Technical Information (OSTI.GOV)

Giron, Nicholas H.; Celina, Mathew C.

Accelerated aging of polymers at elevated temperatures often involves the generation of volatiles. These can be formed as the products of oxidative degradation reactions or intrinsic pyrolytic decomposition as part of polymer scission reactions. A simple analytical method for the quantification of water, CO 2, and CO as fundamental signatures of degradation kinetics is required. Here, we describe an analytical framework and develops a rapid mid-IR based gas analysis methodology to quantify volatiles that are contained in small ampoules after aging exposures. The approach requires identification of unique spectral signatures, systematic calibration with known concentrations of volatiles, and a rapidmore » acquisition FTIR spectrometer for time resolved successive spectra. Furthermore, the volatiles are flushed out from the ampoule with dry N2 carrier gas and are then quantified through spectral and time integration. This method is sufficiently sensitive to determine absolute yields of ~50 μg water or CO 2, which relates to probing mass losses of less than 0.01% for a 1 g sample, i.e. the early stages in the degradation process. Such quantitative gas analysis is not easily achieved with other approaches. Our approach opens up the possibility of quantitative monitoring of volatile evolution as an avenue to explore polymer degradation kinetics and its dependence on time and temperature.« less

High temperature polymer degradation: Rapid IR flow-through method for volatile quantification

DOE PAGES

Giron, Nicholas H.; Celina, Mathew C.

2017-05-19

Accelerated aging of polymers at elevated temperatures often involves the generation of volatiles. These can be formed as the products of oxidative degradation reactions or intrinsic pyrolytic decomposition as part of polymer scission reactions. A simple analytical method for the quantification of water, CO 2, and CO as fundamental signatures of degradation kinetics is required. Here, we describe an analytical framework and develops a rapid mid-IR based gas analysis methodology to quantify volatiles that are contained in small ampoules after aging exposures. The approach requires identification of unique spectral signatures, systematic calibration with known concentrations of volatiles, and a rapidmore » acquisition FTIR spectrometer for time resolved successive spectra. Furthermore, the volatiles are flushed out from the ampoule with dry N2 carrier gas and are then quantified through spectral and time integration. This method is sufficiently sensitive to determine absolute yields of ~50 μg water or CO 2, which relates to probing mass losses of less than 0.01% for a 1 g sample, i.e. the early stages in the degradation process. Such quantitative gas analysis is not easily achieved with other approaches. Our approach opens up the possibility of quantitative monitoring of volatile evolution as an avenue to explore polymer degradation kinetics and its dependence on time and temperature.« less

COMPASS: a suite of pre- and post-search proteomics software tools for OMSSA

PubMed Central

Wenger, Craig D.; Phanstiel, Douglas H.; Lee, M. Violet; Bailey, Derek J.; Coon, Joshua J.

2011-01-01

Here we present the Coon OMSSA Proteomic Analysis Software Suite (COMPASS): a free and open-source software pipeline for high-throughput analysis of proteomics data, designed around the Open Mass Spectrometry Search Algorithm. We detail a synergistic set of tools for protein database generation, spectral reduction, peptide false discovery rate analysis, peptide quantitation via isobaric labeling, protein parsimony and protein false discovery rate analysis, and protein quantitation. We strive for maximum ease of use, utilizing graphical user interfaces and working with data files in the original instrument vendor format. Results are stored in plain text comma-separated values files, which are easy to view and manipulate with a text editor or spreadsheet program. We illustrate the operation and efficacy of COMPASS through the use of two LC–MS/MS datasets. The first is a dataset of a highly annotated mixture of standard proteins and manually validated contaminants that exhibits the identification workflow. The second is a dataset of yeast peptides, labeled with isobaric stable isotope tags and mixed in known ratios, to demonstrate the quantitative workflow. For these two datasets, COMPASS performs equivalently or better than the current de facto standard, the Trans-Proteomic Pipeline. PMID:21298793

Detailed Modeling and Analysis of the CPFM Dataset

NASA Technical Reports Server (NTRS)

Swartz, William H.; Lloyd, Steven A.; DeMajistre, Robert

2004-01-01

A quantitative understanding of photolysis rate coefficients (or "j-values") is essential to determining the photochemical reaction rates that define ozone loss and other crucial processes in the atmosphere. j-Values can be calculated with radiative transfer models, derived from actinic flux observations, or inferred from trace gas measurements. The principal objective of this study is to cross-validate j-values from the Composition and Photodissociative Flux Measurement (CPFM) instrument during the Photochemistry of Ozone Loss in the Arctic Region In Summer (POLARIS) and SAGE I11 Ozone Loss and Validation Experiment (SOLVE) field campaigns with model calculations and other measurements and to use this detailed analysis to improve our ability to determine j-values. Another objective is to analyze the spectral flux from the CPFM (not just the j-values) and, using a multi-wavelength/multi-species spectral fitting technique, determine atmospheric composition.

[Research on the combustion mechanism of asphalt and the composition of harmful gas based on infrared spectral analysis].

PubMed

Wu, Ke; Zhu, Kai; Huang, Zhi-yi; Wang, Jin-chang; Yang, Qin-min; Liang, Pei

2012-08-01

By using the Rosemount gas analyzer and the test platform of fixed bed built by carbon furnace, the harmful gaseous compositions and the release rules of asphalt and mortar under high temperature rate were analyzed quantitatively based on infrared spectral analysis technology. The results indicated that the combustion process of the asphalt and mortar can be approximately divided into two stages stage of primary volatile combustion, and stage of secondary volatile release combined with fixed carbon combustion in isothermal condition with high heating rate. The major gaseous products are CO2, CO, NO, NO2 and SO2. the volatile content is one of the key factors affecting the release rules of gaseous combustion products in asphalt, and reducing the volatile content in asphalt materials can effectively reduce the generation of gaseous combustion products, especially CO.

Statistical mapping of zones of focused groundwater/surface-water exchange using fiber-optic distributed temperature sensing

USGS Publications Warehouse

Mwakanyamale, Kisa; Day-Lewis, Frederick D.; Slater, Lee D.

2013-01-01

Fiber-optic distributed temperature sensing (FO-DTS) increasingly is used to map zones of focused groundwater/surface-water exchange (GWSWE). Previous studies of GWSWE using FO-DTS involved identification of zones of focused GWSWE based on arbitrary cutoffs of FO-DTS time-series statistics (e.g., variance, cross-correlation between temperature and stage, or spectral power). New approaches are needed to extract more quantitative information from large, complex FO-DTS data sets while concurrently providing an assessment of uncertainty associated with mapping zones of focused GSWSE. Toward this end, we present a strategy combining discriminant analysis (DA) and spectral analysis (SA). We demonstrate the approach using field experimental data from a reach of the Columbia River adjacent to the Hanford 300 Area site. Results of the combined SA/DA approach are shown to be superior to previous results from qualitative interpretation of FO-DTS spectra alone.

Snapshot Hyperspectral Volumetric Microscopy

NASA Astrophysics Data System (ADS)

Wu, Jiamin; Xiong, Bo; Lin, Xing; He, Jijun; Suo, Jinli; Dai, Qionghai

2016-04-01

The comprehensive analysis of biological specimens brings about the demand for capturing the spatial, temporal and spectral dimensions of visual information together. However, such high-dimensional video acquisition faces major challenges in developing large data throughput and effective multiplexing techniques. Here, we report the snapshot hyperspectral volumetric microscopy that computationally reconstructs hyperspectral profiles for high-resolution volumes of ~1000 μm × 1000 μm × 500 μm at video rate by a novel four-dimensional (4D) deconvolution algorithm. We validated the proposed approach with both numerical simulations for quantitative evaluation and various real experimental results on the prototype system. Different applications such as biological component analysis in bright field and spectral unmixing of multiple fluorescence are demonstrated. The experiments on moving fluorescent beads and GFP labelled drosophila larvae indicate the great potential of our method for observing multiple fluorescent markers in dynamic specimens.

Highly Reproducible Label Free Quantitative Proteomic Analysis of RNA Polymerase Complexes*

PubMed Central

Mosley, Amber L.; Sardiu, Mihaela E.; Pattenden, Samantha G.; Workman, Jerry L.; Florens, Laurence; Washburn, Michael P.

2011-01-01

The use of quantitative proteomics methods to study protein complexes has the potential to provide in-depth information on the abundance of different protein components as well as their modification state in various cellular conditions. To interrogate protein complex quantitation using shotgun proteomic methods, we have focused on the analysis of protein complexes using label-free multidimensional protein identification technology and studied the reproducibility of biological replicates. For these studies, we focused on three highly related and essential multi-protein enzymes, RNA polymerase I, II, and III from Saccharomyces cerevisiae. We found that label-free quantitation using spectral counting is highly reproducible at the protein and peptide level when analyzing RNA polymerase I, II, and III. In addition, we show that peptide sampling does not follow a random sampling model, and we show the need for advanced computational models to predict peptide detection probabilities. In order to address these issues, we used the APEX protocol to model the expected peptide detectability based on whole cell lysate acquired using the same multidimensional protein identification technology analysis used for the protein complexes. Neither method was able to predict the peptide sampling levels that we observed using replicate multidimensional protein identification technology analyses. In addition to the analysis of the RNA polymerase complexes, our analysis provides quantitative information about several RNAP associated proteins including the RNAPII elongation factor complexes DSIF and TFIIF. Our data shows that DSIF and TFIIF are the most highly enriched RNAP accessory factors in Rpb3-TAP purifications and demonstrate our ability to measure low level associated protein abundance across biological replicates. In addition, our quantitative data supports a model in which DSIF and TFIIF interact with RNAPII in a dynamic fashion in agreement with previously published reports. PMID:21048197

Spectral interferences in the determination of rhenium in molybdenum and copper concentrates by inductively coupled plasma optical emission spectrometry (ICP-OES)

NASA Astrophysics Data System (ADS)

Karadjov, Metody; Velitchkova, Nikolaya; Veleva, Olga; Velichkov, Serafim; Markov, Pavel; Daskalova, Nonka

2016-05-01

This paper deals with spectral interferences of complex matrix containing Mo, Al, Ti, Fe, Mg, Ca and Cu in the determination of rhenium in molybdenum and copper concentrates by inductively coupled plasma optical emission spectrometry (ICP-OES). By radial viewing 40.68 MHz ICP equipped with a high resolution spectrometer (spectral bandwidth = 5 pm) the hyperfine structure (HFS) of the most prominent lines of rhenium (Re II 197.248 nm, Re II 221.426 nm and Re II 227.525 nm) was registered. The HFS components under high resolution conditions were used as separate prominent line in order to circumvent spectral interferences. The Q-concept was applied for quantification of spectral interferences. The quantitative databases for the type and the magnitude of the spectral interferences in the presence of above mentioned matrix constituents were obtained by using a radial viewing 40.68 MHz ICP with high resolution and an axial viewing 27.12 MHz ICP with middle resolution. The data for the both ICP-OES systems were collected chiefly with a view to spectrochemical analysis for comparing the magnitude of line and wing (background) spectral interference and the true detection limits with spectroscopic apparatus with different spectral resolution. The sample pretreatment methods by sintering with magnesium oxide and oxidizing agents as well as a microwave acid digestion were applied. The feasibility, accuracy and precision of the analytical results were experimentally demonstrated by certified reference materials.

An oil film information retrieval method overcoming the influence of sun glitter, based on AISA+ airborne hyper-spectral image

NASA Astrophysics Data System (ADS)

Zhan, Yuanzeng; Mao, Tianming; Gong, Fang; Wang, Difeng; Chen, Jianyu

2010-10-01

As an effective survey tool for oil spill detection, the airborne hyper-spectral sensor affords the potentiality for retrieving the quantitative information of oil slick which is useful for the cleanup of spilled oil. But many airborne hyper-spectral images are affected by sun glitter which distorts radiance values and spectral ratios used for oil slick detection. In 2005, there's an oil spill event leaking at oil drilling platform in The South China Sea, and an AISA+ airborne hyper-spectral image recorded this event will be selected for studying in this paper, which is affected by sun glitter terribly. Through a spectrum analysis of the oil and water samples, two features -- "spectral rotation" and "a pair of fixed points" can be found in spectral curves between crude oil film and water. Base on these features, an oil film information retrieval method which can overcome the influence of sun glitter is presented. Firstly, the radiance of the image is converted to normal apparent reflectance (NormAR). Then, based on the features of "spectral rotation" (used for distinguishing oil film and water) and "a pair of fixed points" (used for overcoming the effect of sun glitter), NormAR894/NormAR516 is selected as an indicator of oil film. Finally, by using a threshold combined with the technologies of image filter and mathematic morphology, the distribution and relative thickness of oil film are retrieved.

Spectroscopy as a tool for geochemical modeling

NASA Astrophysics Data System (ADS)

Kopacková, Veronika; Chevrel, Stephane; Bourguignon, Anna

2011-11-01

This study focused on testing the feasibility of up-scaling ground-spectra-derived parameters to HyMap spectral and spatial resolution and whether they could be further used for a quantitative determination of the following geochemical parameters: As, pH and Clignite content. The study was carried on the Sokolov lignite mine as it represents a site with extreme material heterogeneity and high heavy-metal gradients. A new segmentation method based on the unique spectral properties of acid materials was developed and applied to the multi-line HyMap image data corrected for BRDF and atmospheric effects. The quantitative parameters were calculated for multiple absorption features identified within the VIS/VNIR/SWIR regions (simple band ratios, absorption band depth and quantitative spectral feature parameters calculated dynamically for each spectral measurement (centre of the absorption band (λ), depth of the absorption band (D), width of the absorption band (Width), and asymmetry of the absorption band (S)). The degree of spectral similarity between the ground and image spectra was assessed. The linear models for pH, As and the Clignite content of the whole and segmented images were cross-validated on the selected homogenous areas defined in the HS images using ground truth. For the segmented images, reliable results were achieved as follows: As: R2=0.84, Clignite: R2=0.88 and R2 pH: R2= 0.57.

Quantitative determination of sulfur content in concrete with laser-induced breakdown spectroscopy

NASA Astrophysics Data System (ADS)

Weritz, F.; Ryahi, S.; Schaurich, D.; Taffe, A.; Wilsch, G.

2005-08-01

Laser-induced breakdown spectroscopy has been employed for the investigation of the sulfur content of concrete. Sulfur compounds are a natural but minor component in building materials. The ingress of sulfates or sulfuric acid constitutes a major risk of chemical aggression for concrete. There is a need for a fast method, which can be used on-site and is able to investigate a wide range of different measuring points, so that damages can be characterized. For quantitative determination the sulfur spectral line at 921.3 nm is used. The optimum ambient atmosphere has been determined by comparison of measurements accomplished under air, argon and helium atmosphere. Reference samples have been produced and calibration curves have been determined, the results of LIBS measurements are compared with results from chemical analysis. Defining a limit for the intensity ratio of a calcium and a oxygen spectral line can reduce the influence of the heterogeneity of the material, so that only spectra with a high amount of cementitious material are evaluated. Depth profiles and spatial resolved sulfur distributions are presented measured on concrete cores originating from a highly sulfate contaminated clarifier.

Passive thermal infrared hyperspectral imaging for quantitative imaging of shale gas leaks

NASA Astrophysics Data System (ADS)

Gagnon, Marc-André; Tremblay, Pierre; Savary, Simon; Farley, Vincent; Guyot, Éric; Lagueux, Philippe; Morton, Vince; Giroux, Jean; Chamberland, Martin

2017-10-01

There are many types of natural gas fields including shale formations that are common especially in the St-Lawrence Valley (Canada). Since methane (CH4), the major component of shale gas, is odorless, colorless and highly flammable, in addition to being a greenhouse gas, methane emanations and/or leaks are important to consider for both safety and environmental reasons. Telops recently launched on the market the Hyper-Cam Methane, a field-deployable thermal infrared hyperspectral camera specially tuned for detecting methane infrared spectral features under ambient conditions and over large distances. In order to illustrate the benefits of this novel research instrument for natural gas imaging, the instrument was brought on a site where shale gas leaks unexpectedly happened during a geological survey near the Enfant-Jesus hospital in Quebec City, Canada, during December 2014. Quantitative methane imaging was carried out based on methane's unique infrared spectral signature. Optical flow analysis was also carried out on the data to estimate the methane mass flow rate. The results show how this novel technique could be used for advanced research on shale gases.

Quantitative analysis of enhanced malignant and benign lesions on contrast-enhanced spectral mammography.

PubMed

Deng, Chih-Ying; Juan, Yu-Hsiang; Cheung, Yun-Chung; Lin, Yu-Ching; Lo, Yung-Feng; Lin, GiGin; Chen, Shin-Cheh; Ng, Shu-Hang

2018-02-27

To retrospectively analyze the quantitative measurement and kinetic enhancement among pathologically proven benign and malignant lesions using contrast-enhanced spectral mammography (CESM). We investigated the differences in enhancement between 44 benign and 108 malignant breast lesions in CESM, quantifying the extent of enhancements and the relative enhancements between early (between 2-3 min after contrast medium injection) and late (3-6 min) phases. The enhancement was statistically stronger in malignancies compared to benign lesions, with good performance by the receiver operating characteristic curve [0.877, 95% confidence interval (0.813-0.941)]. Using optimal cut-off value at 220.94 according to Youden index, the sensitivity was 75.9%, specificity 88.6%, positive likelihood ratio 6.681, negative likelihood ratio 0.272 and accuracy 82.3%. The relative enhancement patterns of benign and malignant lesions, showing 29.92 vs 73.08% in the elevated pattern, 7.14 vs 92.86% in the steady pattern, 5.71 vs 94.29% in the depressed pattern, and 80.00 vs 20.00% in non-enhanced lesions (p < 0.0001), respectively. Despite variations in the degree of tumour angiogenesis, quantitative analysis of the breast lesions on CESM documented the malignancies had distinctive stronger enhancement and depressed relative enhancement patterns than benign lesions. Advances in knowledge: To our knowledge, this is the first study evaluating the feasibility of quantifying lesion enhancement on CESM. The quantities of enhancement were informative for assessing breast lesions in which the malignancies had stronger enhancement and more relative depressed enhancement than the benign lesions.

Covariance J-resolved spectroscopy: Theory and application in vivo.

PubMed

Iqbal, Zohaib; Verma, Gaurav; Kumar, Anand; Thomas, M Albert

2017-08-01

Magnetic resonance spectroscopy (MRS) is a powerful tool capable of investigating the metabolic status of several tissues in vivo. In particular, single-voxel-based 1 H spectroscopy provides invaluable biochemical information from a volume of interest (VOI) and has therefore been used in a variety of studies. Unfortunately, typical one-dimensional MRS data suffer from severe signal overlap and thus important metabolites are difficult to distinguish. One method that is used to disentangle overlapping resonances is the two-dimensional J-resolved spectroscopy (JPRESS) experiment. Due to the long acquisition duration of the JPRESS experiment, a limited number of points are acquired in the indirect dimension, leading to poor spectral resolution along this dimension. Poor spectral resolution is problematic because proper peak assignment may be hindered, which is why the zero-filling method is often used to improve resolution as a post-processing step. However, zero-filling leads to spectral artifacts, which may affect visualization and quantitation of spectra. A novel method utilizing a covariance transformation, called covariance J-resolved spectroscopy (CovJ), was developed in order to improve spectral resolution along the indirect dimension (F 1 ). Comparison of simulated data demonstrates that peak structures remain qualitatively similar between JPRESS and the novel method along the diagonal region (F 1 = 0 Hz), whereas differences arise in the cross-peak (F 1 ≠0 Hz) regions. In addition, quantitative results of in vivo JPRESS data acquired on a 3T scanner show significant correlations (r 2 >0.86, p<0.001) when comparing the metabolite concentrations between the two methods. Finally, a quantitation algorithm, 'COVariance Spectral Evaluation of 1 H Acquisitions using Representative prior knowledge' (Cov-SEHAR), was developed in order to quantify γ-aminobutyric acid and glutamate from the CovJ spectra. These preliminary findings indicate that the CovJ method may be used to improve spectral resolution without hindering metabolite quantitation for J-resolved spectra. Copyright © 2017 John Wiley & Sons, Ltd.

Benchmarking of data fusion algorithms in support of earth observation based Antarctic wildlife monitoring

NASA Astrophysics Data System (ADS)

Witharana, Chandi; LaRue, Michelle A.; Lynch, Heather J.

2016-03-01

Remote sensing is a rapidly developing tool for mapping the abundance and distribution of Antarctic wildlife. While both panchromatic and multispectral imagery have been used in this context, image fusion techniques have received little attention. We tasked seven widely-used fusion algorithms: Ehlers fusion, hyperspherical color space fusion, high-pass fusion, principal component analysis (PCA) fusion, University of New Brunswick fusion, and wavelet-PCA fusion to resolution enhance a series of single-date QuickBird-2 and Worldview-2 image scenes comprising penguin guano, seals, and vegetation. Fused images were assessed for spectral and spatial fidelity using a variety of quantitative quality indicators and visual inspection methods. Our visual evaluation elected the high-pass fusion algorithm and the University of New Brunswick fusion algorithm as best for manual wildlife detection while the quantitative assessment suggested the Gram-Schmidt fusion algorithm and the University of New Brunswick fusion algorithm as best for automated classification. The hyperspherical color space fusion algorithm exhibited mediocre results in terms of spectral and spatial fidelities. The PCA fusion algorithm showed spatial superiority at the expense of spectral inconsistencies. The Ehlers fusion algorithm and the wavelet-PCA algorithm showed the weakest performances. As remote sensing becomes a more routine method of surveying Antarctic wildlife, these benchmarks will provide guidance for image fusion and pave the way for more standardized products for specific types of wildlife surveys.

Infrared spectroscopy reveals both qualitative and quantitative differences in equine subchondral bone during maturation

NASA Astrophysics Data System (ADS)

Kobrina, Yevgeniya; Isaksson, Hanna; Sinisaari, Miikka; Rieppo, Lassi; Brama, Pieter A.; van Weeren, René; Helminen, Heikki J.; Jurvelin, Jukka S.; Saarakkala, Simo

2010-11-01

The collagen phase in bone is known to undergo major changes during growth and maturation. The objective of this study is to clarify whether Fourier transform infrared (FTIR) microspectroscopy, coupled with cluster analysis, can detect quantitative and qualitative changes in the collagen matrix of subchondral bone in horses during maturation and growth. Equine subchondral bone samples (n = 29) from the proximal joint surface of the first phalanx are prepared from two sites subjected to different loading conditions. Three age groups are studied: newborn (0 days old), immature (5 to 11 months old), and adult (6 to 10 years old) horses. Spatial collagen content and collagen cross-link ratio are quantified from the spectra. Additionally, normalized second derivative spectra of samples are clustered using the k-means clustering algorithm. In quantitative analysis, collagen content in the subchondral bone increases rapidly between the newborn and immature horses. The collagen cross-link ratio increases significantly with age. In qualitative analysis, clustering is able to separate newborn and adult samples into two different groups. The immature samples display some nonhomogeneity. In conclusion, this is the first study showing that FTIR spectral imaging combined with clustering techniques can detect quantitative and qualitative changes in the collagen matrix of subchondral bone during growth and maturation.

Comparative shotgun proteomics using spectral count data and quasi-likelihood modeling.

PubMed

Li, Ming; Gray, William; Zhang, Haixia; Chung, Christine H; Billheimer, Dean; Yarbrough, Wendell G; Liebler, Daniel C; Shyr, Yu; Slebos, Robbert J C

2010-08-06

Shotgun proteomics provides the most powerful analytical platform for global inventory of complex proteomes using liquid chromatography-tandem mass spectrometry (LC-MS/MS) and allows a global analysis of protein changes. Nevertheless, sampling of complex proteomes by current shotgun proteomics platforms is incomplete, and this contributes to variability in assessment of peptide and protein inventories by spectral counting approaches. Thus, shotgun proteomics data pose challenges in comparing proteomes from different biological states. We developed an analysis strategy using quasi-likelihood Generalized Linear Modeling (GLM), included in a graphical interface software package (QuasiTel) that reads standard output from protein assemblies created by IDPicker, an HTML-based user interface to query shotgun proteomic data sets. This approach was compared to four other statistical analysis strategies: Student t test, Wilcoxon rank test, Fisher's Exact test, and Poisson-based GLM. We analyzed the performance of these tests to identify differences in protein levels based on spectral counts in a shotgun data set in which equimolar amounts of 48 human proteins were spiked at different levels into whole yeast lysates. Both GLM approaches and the Fisher Exact test performed adequately, each with their unique limitations. We subsequently compared the proteomes of normal tonsil epithelium and HNSCC using this approach and identified 86 proteins with differential spectral counts between normal tonsil epithelium and HNSCC. We selected 18 proteins from this comparison for verification of protein levels between the individual normal and tumor tissues using liquid chromatography-multiple reaction monitoring mass spectrometry (LC-MRM-MS). This analysis confirmed the magnitude and direction of the protein expression differences in all 6 proteins for which reliable data could be obtained. Our analysis demonstrates that shotgun proteomic data sets from different tissue phenotypes are sufficiently rich in quantitative information and that statistically significant differences in proteins spectral counts reflect the underlying biology of the samples.

Comparative Shotgun Proteomics Using Spectral Count Data and Quasi-Likelihood Modeling

PubMed Central

2010-01-01

Shotgun proteomics provides the most powerful analytical platform for global inventory of complex proteomes using liquid chromatography−tandem mass spectrometry (LC−MS/MS) and allows a global analysis of protein changes. Nevertheless, sampling of complex proteomes by current shotgun proteomics platforms is incomplete, and this contributes to variability in assessment of peptide and protein inventories by spectral counting approaches. Thus, shotgun proteomics data pose challenges in comparing proteomes from different biological states. We developed an analysis strategy using quasi-likelihood Generalized Linear Modeling (GLM), included in a graphical interface software package (QuasiTel) that reads standard output from protein assemblies created by IDPicker, an HTML-based user interface to query shotgun proteomic data sets. This approach was compared to four other statistical analysis strategies: Student t test, Wilcoxon rank test, Fisher’s Exact test, and Poisson-based GLM. We analyzed the performance of these tests to identify differences in protein levels based on spectral counts in a shotgun data set in which equimolar amounts of 48 human proteins were spiked at different levels into whole yeast lysates. Both GLM approaches and the Fisher Exact test performed adequately, each with their unique limitations. We subsequently compared the proteomes of normal tonsil epithelium and HNSCC using this approach and identified 86 proteins with differential spectral counts between normal tonsil epithelium and HNSCC. We selected 18 proteins from this comparison for verification of protein levels between the individual normal and tumor tissues using liquid chromatography−multiple reaction monitoring mass spectrometry (LC−MRM-MS). This analysis confirmed the magnitude and direction of the protein expression differences in all 6 proteins for which reliable data could be obtained. Our analysis demonstrates that shotgun proteomic data sets from different tissue phenotypes are sufficiently rich in quantitative information and that statistically significant differences in proteins spectral counts reflect the underlying biology of the samples. PMID:20586475

[Application of AOTF in spectral analysis. 1. Hardware and software designs for the self-constructed visible AOTF spectrophotometer].

PubMed

He, Jia-yao; Peng, Rong-fei; Zhang, Zhan-xia

2002-02-01

A self-constructed visible spectrophotometer using an acousto-optic tunable filter(AOTF) as a dispersing element is described. Two different AOTFs (one from The Institute for Silicate (Shanghai, China) and the other from Brimrose(USA)) are tested. The software written with visual C++ and operated on a Window98 platform is an applied program with dual database and multi-windows. Four independent windows, namely scanning, quantitative, calibration and result are incorporated. The Fourier self-deconvolution algorithm is also incorporated to improve the spectral resolution. The wavelengths are calibrated using the polynomial curve fitting method. The spectra and calibration curves of soluble aniline blue and phenol red are presented to show the feasibility of the constructed spectrophotometer.

Assessment of spectral, misregistration, and spatial uncertainties inherent in the cross-calibration study

USGS Publications Warehouse

Chander, G.; Helder, D.L.; Aaron, David; Mishra, N.; Shrestha, A.K.

2013-01-01

Cross-calibration of satellite sensors permits the quantitative comparison of measurements obtained from different Earth Observing (EO) systems. Cross-calibration studies usually use simultaneous or near-simultaneous observations from several spaceborne sensors to develop band-by-band relationships through regression analysis. The investigation described in this paper focuses on evaluation of the uncertainties inherent in the cross-calibration process, including contributions due to different spectral responses, spectral resolution, spectral filter shift, geometric misregistrations, and spatial resolutions. The hyperspectral data from the Environmental Satellite SCanning Imaging Absorption SpectroMeter for Atmospheric CartograpHY and the EO-1 Hyperion, along with the relative spectral responses (RSRs) from the Landsat 7 Enhanced Thematic Mapper (TM) Plus and the Terra Moderate Resolution Imaging Spectroradiometer sensors, were used for the spectral uncertainty study. The data from Landsat 5 TM over five representative land cover types (desert, rangeland, grassland, deciduous forest, and coniferous forest) were used for the geometric misregistrations and spatial-resolution study. The spectral resolution uncertainty was found to be within 0.25%, spectral filter shift within 2.5%, geometric misregistrations within 0.35%, and spatial-resolution effects within 0.1% for the Libya 4 site. The one-sigma uncertainties presented in this paper are uncorrelated, and therefore, the uncertainties can be summed orthogonally. Furthermore, an overall total uncertainty was developed. In general, the results suggested that the spectral uncertainty is more dominant compared to other uncertainties presented in this paper. Therefore, the effect of the sensor RSR differences needs to be quantified and compensated to avoid large uncertainties in cross-calibration results.

Different approaches in Partial Least Squares and Artificial Neural Network models applied for the analysis of a ternary mixture of Amlodipine, Valsartan and Hydrochlorothiazide

NASA Astrophysics Data System (ADS)

Darwish, Hany W.; Hassan, Said A.; Salem, Maissa Y.; El-Zeany, Badr A.

2014-03-01

Different chemometric models were applied for the quantitative analysis of Amlodipine (AML), Valsartan (VAL) and Hydrochlorothiazide (HCT) in ternary mixture, namely, Partial Least Squares (PLS) as traditional chemometric model and Artificial Neural Networks (ANN) as advanced model. PLS and ANN were applied with and without variable selection procedure (Genetic Algorithm GA) and data compression procedure (Principal Component Analysis PCA). The chemometric methods applied are PLS-1, GA-PLS, ANN, GA-ANN and PCA-ANN. The methods were used for the quantitative analysis of the drugs in raw materials and pharmaceutical dosage form via handling the UV spectral data. A 3-factor 5-level experimental design was established resulting in 25 mixtures containing different ratios of the drugs. Fifteen mixtures were used as a calibration set and the other ten mixtures were used as validation set to validate the prediction ability of the suggested methods. The validity of the proposed methods was assessed using the standard addition technique.

Rapid analysis of glucose, fructose, sucrose, and maltose in honeys from different geographic regions using fourier transform infrared spectroscopy and multivariate analysis.

PubMed

Wang, Jun; Kliks, Michael M; Jun, Soojin; Jackson, Mel; Li, Qing X

2010-03-01

Quantitative analysis of glucose, fructose, sucrose, and maltose in different geographic origin honey samples in the world using the Fourier transform infrared (FTIR) spectroscopy and chemometrics such as partial least squares (PLS) and principal component regression was studied. The calibration series consisted of 45 standard mixtures, which were made up of glucose, fructose, sucrose, and maltose. There were distinct peak variations of all sugar mixtures in the spectral "fingerprint" region between 1500 and 800 cm(-1). The calibration model was successfully validated using 7 synthetic blend sets of sugars. The PLS 2nd-derivative model showed the highest degree of prediction accuracy with a highest R(2) value of 0.999. Along with the canonical variate analysis, the calibration model further validated by high-performance liquid chromatography measurements for commercial honey samples demonstrates that FTIR can qualitatively and quantitatively determine the presence of glucose, fructose, sucrose, and maltose in multiple regional honey samples.

Sugar and acid content of Citrus prediction modeling using FT-IR fingerprinting in combination with multivariate statistical analysis.

PubMed

Song, Seung Yeob; Lee, Young Koung; Kim, In-Jung

2016-01-01

A high-throughput screening system for Citrus lines were established with higher sugar and acid contents using Fourier transform infrared (FT-IR) spectroscopy in combination with multivariate analysis. FT-IR spectra confirmed typical spectral differences between the frequency regions of 950-1100 cm(-1), 1300-1500 cm(-1), and 1500-1700 cm(-1). Principal component analysis (PCA) and subsequent partial least square-discriminant analysis (PLS-DA) were able to discriminate five Citrus lines into three separate clusters corresponding to their taxonomic relationships. The quantitative predictive modeling of sugar and acid contents from Citrus fruits was established using partial least square regression algorithms from FT-IR spectra. The regression coefficients (R(2)) between predicted values and estimated sugar and acid content values were 0.99. These results demonstrate that by using FT-IR spectra and applying quantitative prediction modeling to Citrus sugar and acid contents, excellent Citrus lines can be early detected with greater accuracy. Copyright © 2015 Elsevier Ltd. All rights reserved.

Single cell analysis using surface enhanced Raman scattering (SERS) tags

PubMed Central

Nolan, John P.; Duggan, Erika; Liu, Er; Condello, Danilo; Dave, Isha; Stoner, Samuel A.

2013-01-01

Fluorescence is a mainstay of bioanalytical methods, offering sensitive and quantitative reporting, often in multiplexed or multiparameter assays. Perhaps the best example of the latter is flow cytometry, where instruments equipped with multiple lasers and detectors allow measurement of 15 or more different fluorophores simultaneously, but increases beyond this number are limited by the relatively broad emission spectra. Surface enhanced Raman scattering (SERS) from metal nanoparticles can produce signal intensities that rival fluorescence, but with narrower spectral features that allow a greater degree of multiplexing. We are developing nanoparticle SERS tags as well as Raman flow cytometers for multiparameter single cell analysis of suspension or adherent cells. SERS tags are based on plasmonically active nanoparticles (gold nanorods) whose plasmon resonance can be tuned to give optimal SERS signals at a desired excitation wavelength. Raman resonant compounds are adsorbed on the nanoparticles to confer a unique spectral fingerprint on each SERS tag, which are then encapsulated in a polymer coating for conjugation to antibodies or other targeting molecules. Raman flow cytometry employs a high resolution spectral flow cytometer capable of measuring the complete SERS spectra, as well as conventional flow cytometry measurements, from thousands of individual cells per minute. Automated spectral unmixing algorithms extract the contributions of each SERS tag from each cell to generate high content, multiparameter single cell population data. SERS-based cytometry is a powerful complement to conventional fluorescence-based cytometry. The narrow spectral features of the SERS signal enables more distinct probes to be measured in a smaller region of the optical spectrum with a single laser and detector, allowing for higher levels of multiplexing and multiparameter analysis. PMID:22498143

Quantitative detection of settled coal dust over green canopy

NASA Astrophysics Data System (ADS)

Brook, Anna; Sahar, Nir

2017-04-01

The main task of environmental and geoscience applications are efficient and accurate quantitative classification of earth surfaces and spatial phenomena. In the past decade, there has been a significant interest in employing spectral unmixing in order to retrieve accurate quantitative information latent in in situ data. Recently, the ground-truth and laboratory measured spectral signatures promoted by advanced algorithms are proposed as a new path toward solving the unmixing problem in semi-supervised fashion. This study presents a practical implementation of field spectroscopy as a quantitative tool to detect settled coal dust over green canopy in free/open environment. Coal dust is a fine powdered form of coal, which is created by the crushing, grinding, and pulverizing of coal. Since the inelastic nature of coal, coal dust can be created during transportation, or by mechanically handling coal. Coal dust, categorized at silt-clay particle size, of particular concern due to heavy metals (lead, mercury, nickel, tin, cadmium, mercury, antimony, arsenic, isotopes of thorium and strontium) which are toxic also at low concentrations. This hazard exposes risk on both environment and public health. It has been identified by medical scientist around the world as causing a range of diseases and health problems, mainly heart and respiratory diseases like asthma and lung cancer. It is due to the fact that the fine invisible coal dust particles (less than 2.5 microns) long lodge in the lungs and are not naturally expelled, so long-term exposure increases the risk of health problems. Numerus studies reported that data to conduct study of geographic distribution of the very fine coal dust (smaller than PM 2.5) and related health impacts from coal exports, is not being collected. Sediment dust load in an indoor environment can be spectrally assessed using reflectance spectroscopy (Chudnovsky and Ben-Dor, 2009). Small amounts of particulate pollution that may carry a signature of a forthcoming environmental hazard are of key interest when considering the effects of pollution. According to the most basic distribution dynamics, dust consists of suspended particulate matter in a fine state of subdivision that are raised and carried by wind. In this context, it is increasingly important to first, understand the distribution dynamics of pollutants, and subsequently develop dedicated tools and measures to control and monitor pollutants in the free environment. The earliest effect of settled polluted dust particles is not always reflected through poor conditions of vegetation or soils, or any visible damages. In most of the cases, it has a quite long accumulation process that graduates from a polluted condition to long-term environmental and health related hazard. Although conducted experiments with pollutant analog powders under controlled conditions have tended to con- firm the findings from field studies (Brook, 2014; Brook and Ben-Dor 2016; Brook, 2016), a major criticism of all these experiments is their short duration. The resulting conclusion is that it is difficult, if not impossible, to determine the implications of long-term exposure to realistic concentrations of pollutants from such short-term studies. In general, the task of unmixing is to decompose the reflectance spectrum into a set of endmembers or principal combined spectra and their corresponding abundances (Bioucas-Dias et al., 2012). This study suggests that the sensitivity of sparse unmixing techniques provides an ideal approach to extract and identify coal dust settled over/upon green vegetation canopy using in situ spectral data collected by portable spectrometer. The optimal NMF algorithms, such as ALS and LPG, are assumed to be the simplest methods that achieve the minimum error. The suggested practical approach includes the following stages: 1. In situ spectral measurements, 2. Near-real-time spectral data analysis, 3. Estimated concentration of coal dust reported as mg/sq m. The stage 2 is completed by calculating: 1. Unmixing between the green canopy and the settle dust extraction only coal dust fraction, 2. Converting spectral feature of coal dust to concentration via PLSR spectral model. The spectral model was trained and validated PLSR model developed at laboratory using spectra across MIR (FTIR reflectance spectra) and NIR regions and XRD analysis. The obtained RMSE was satisfying for both spectral regions. Thus, it was concluded that field spectroscopy can be used for this purpose, and it can provide fully quantitative measures of settle coal dust. Nowadays this approach (both spectrometer and algorithm) has been accepted as a practical operational tool for environmental monitoring near power station Orot Rabin in Hadera and will be used by the Sharon-Carmel Districts Municipal Association for Environmental Protection, Israel as a regulatory tool. In summary, this work shows that coal dust can be assessed using in situ spectroscopy, making it a potentially powerful tool for environmental studies. References Chudnovsky, A., & Ben-Dor, E. (2009). Reflectance spectroscopy as a tool for settled dust monitoring in office environment. International Journal of Environment and Waste Management, 4(1), 32-49. Brook, A. (2014). Quantitative Detection of Settled dust over Green Canopy using Sparse Unmixing of Airborne Hyperspectral Data. IEEE-Whispers 6th Workshop on Hyperspectral Image and Signal Processing: Evolution in Remote Sensing, 2014, Switzerland, 4-8. Brook, A. and Ben-Dor, E. (2016). Quantitative detection of settled dust over Green Canopy using sparse unmixing of airborne hyperspectral data. IEEE Journal of Selected Topics in Applied Earth Observations and Remote Sensing, 9(2), pp.884-897. Brook, A. (2016). Quantitative Detection and Long-Term Monitoring of Settle Dust Using Semisupervised Learning for Spectral Data. Water, Air, & Soil Pollution, 227(3), pp.1-9. Bioucas-Dias, J.M., Plaza, A., Dobigeon, N., Parente, M., Du, Q., Gader, P. and Chanussot, J. (2012). Hyperspectral unmixing overview: Geometrical, statistical, and sparse regression-based approaches. IEEE Journal of Selected Topics in Applied Earth Observations and Remote Sensing, 5(2), pp.354-379. Keshava, N., Mustard, J. (2002). Spectral unmixing. IEEE Signal Process. Mag., 19(1), 44-57. Bioucas-Dias et al. (2012). Hyperspectral unmixing overview: Geometrical, statistical, and sparse regression-based approaches, IEEE Journal of Selected Topics in Applied Earth Observations and Remote Sensing, 5(2), 354 -379.

Compressive hyperspectral time-resolved wide-field fluorescence lifetime imaging

NASA Astrophysics Data System (ADS)

Pian, Qi; Yao, Ruoyang; Sinsuebphon, Nattawut; Intes, Xavier

2017-07-01

Spectrally resolved fluorescence lifetime imaging and spatial multiplexing have offered information content and collection-efficiency boosts in microscopy, but efficient implementations for macroscopic applications are still lacking. An imaging platform based on time-resolved structured light and hyperspectral single-pixel detection has been developed to perform quantitative macroscopic fluorescence lifetime imaging (MFLI) over a large field of view (FOV) and multiple spectral bands simultaneously. The system makes use of three digital micromirror device (DMD)-based spatial light modulators (SLMs) to generate spatial optical bases and reconstruct N by N images over 16 spectral channels with a time-resolved capability (∼40 ps temporal resolution) using fewer than N2 optical measurements. We demonstrate the potential of this new imaging platform by quantitatively imaging near-infrared (NIR) Förster resonance energy transfer (FRET) both in vitro and in vivo. The technique is well suited for quantitative hyperspectral lifetime imaging with a high sensitivity and paves the way for many important biomedical applications.

Automated Quantitative Spectral Classification of Stars in Areas of the main Meridional Section of the Galaxy

NASA Astrophysics Data System (ADS)

Shvelidze, T. D.; Malyuto, V. D.

Quantitative spectral classification of F, G and K stars with the 70-cm telescope of the Ambastumani Astrophysical Observatory in areas of the main meridional section of the Galaxy, and for which proper motion data are available, has been performed. Fundamental parameters have been obtained for 333 stars in four areas. Space densities of stars of different spectral types, the stellar luminosity function and the relationships between the kinematics and metallicity of stars have been studied. The results have confirmed and completed the conclusions made on the basis of some previous spectroscopic and photometric surveys. Many plates have been obtained for other important directions in the sky: the Kapteyn areas, the Galactic anticentre and the main meridional section of the Galaxy. The data can be treated with the same quantitative method applied here. This method may also be applied to other available and future spectroscopic data of similar resolution, notably that obtained with large format CCD detectors on Schmidt-type telescopes.

Remote measurement of water color in coastal waters. [spectral radiance data used to obtain quantitative values for chlorophyll and turbidity

NASA Technical Reports Server (NTRS)

Weldon, J. W.

1973-01-01

An investigation was conducted to develop procedure to obtain quantitative values for chlorophyll and turbidity in coastal waters by observing the changes in spectral radiance of the backscattered spectrum. The technique under consideration consists of Examining Exotech model 20-D spectral radiometer data and determining which radiance ratios best correlated with chlorophyll and turbidity measurements as obtained from analyses of water samples and sechi visibility readings. Preliminary results indicate that there is a correlation between backscattered light and chlorophyll concentration and secchi visibility. The tests were conducted with the spectrometer mounted in a light aircraft over the Mississippi Sound at altitudes of 2.5K, 2.8K and 10K feet.

THERMAL AND THERMO-MECHANICAL CHARACTERISTICS OF CRYOGENIC MICROCOOLER FOR OPTIMUM PERFORMANCE AND RELIABILITY

DTIC Science & Technology

2017-10-19

consequently, important to obtain relevant experimental data for such short, pin fin channels before finalizing the design of the LN2 microcooler. In the next...must be taken in designing the LD micro pin-fin cooler to reflect these experimental trends. Figure 8: Base Heat Transfer Coefficient vs... Experimental Hybrid Approach Based on Spectral Power Distribution for Quantitative Degradation Analysis of Phosphor Converted LED," Ieee Transactions on

Quantitation of Indoleacetic Acid Conjugates in Bean Seeds by Direct Tissue Hydrolysis 1

PubMed Central

Bialek, Krystyna; Cohen, Jerry D.

1989-01-01

Gas chromatography-selected ion monitoring-mass spectral analysis using [13C6]indole-3-acetic acid (IAA) as an internal standard provides an effective means for quantitation of IAA liberated during direct strong basic hydrolysis of bean (Phaseolus vulgaris L.) seed powder, provided that extra precautions are undertaken to exclude oxygen from the reaction vial. Direct seed powder hydrolysis revealed that the major portion of amide IAA conjugates in bean seeds are not extractable by aqueous acetone, the solvent used commonly for IAA conjugate extraction from seeds and other plant tissues. Strong basic hydrolysis of plant tissue can be used to provide new information on IAA content. Images Figure 1 PMID:16666783

Rapid quantitation of atorvastatin in process pharmaceutical powder sample using Raman spectroscopy and evaluation of parameters related to accuracy of analysis.

PubMed

Lim, Young-Il; Han, Janghee; Woo, Young-Ah; Kim, Jaejin; Kang, Myung Joo

2018-07-05

The purpose of this study was to determine the atorvastatin (ATV) content in process pharmaceutical powder sample using Raman spectroscopy. To establish the analysis method, the influence of the type of Raman measurements (back-scattering or transmission mode), preparation of calibration sample (simple admixing or granulation), sample pre-treatment (pelletization), and spectral pretreatment on the Raman spectra was investigated. The characteristic peak of the active compound was more distinctively detected in transmission Raman mode with a laser spot size of 4mm than in the back-scattering method. Preparation of calibration samples by wet granulation, identical to the actual manufacturing process, provided unchanged spectral patterns for the in process sample, with no changes and/or shifts in the spectrum. Pelletization before Raman analysis remarkably improved spectral reproducibility by decreasing the difference in density between the samples. Probabilistic quotient normalization led to accurate and consistent quantification of the ATV content in the calibration samples (standard error of cross validation: 1.21%). Moreover, the drug content in the granules obtained from five commercial batches were reliably quantified, with no statistical difference (p=0.09) with that obtained by HPLC assay. From these findings, we suggest that transmission Raman analysis may be a fast and non-invasive method for the quantification of ATV in actual manufacturing processes. Copyright © 2018 Elsevier B.V. All rights reserved.

Rapid quantitation of atorvastatin in process pharmaceutical powder sample using Raman spectroscopy and evaluation of parameters related to accuracy of analysis

NASA Astrophysics Data System (ADS)

Lim, Young-Il; Han, Janghee; Woo, Young-Ah; Kim, Jaejin; Kang, Myung Joo

2018-07-01

The purpose of this study was to determine the atorvastatin (ATV) content in process pharmaceutical powder sample using Raman spectroscopy. To establish the analysis method, the influence of the type of Raman measurements (back-scattering or transmission mode), preparation of calibration sample (simple admixing or granulation), sample pre-treatment (pelletization), and spectral pretreatment on the Raman spectra was investigated. The characteristic peak of the active compound was more distinctively detected in transmission Raman mode with a laser spot size of 4 mm than in the back-scattering method. Preparation of calibration samples by wet granulation, identical to the actual manufacturing process, provided unchanged spectral patterns for the in process sample, with no changes and/or shifts in the spectrum. Pelletization before Raman analysis remarkably improved spectral reproducibility by decreasing the difference in density between the samples. Probabilistic quotient normalization led to accurate and consistent quantification of the ATV content in the calibration samples (standard error of cross validation: 1.21%). Moreover, the drug content in the granules obtained from five commercial batches were reliably quantified, with no statistical difference (p = 0.09) with that obtained by HPLC assay. From these findings, we suggest that transmission Raman analysis may be a fast and non-invasive method for the quantification of ATV in actual manufacturing processes.

Probing the fractal pattern and organization of Bacillus thuringiensis bacteria colonies growing under different conditions using quantitative spectral light scattering polarimetry

NASA Astrophysics Data System (ADS)

Banerjee, Paromita; Soni, Jalpa; Purwar, Harsh; Ghosh, Nirmalya; Sengupta, Tapas K.

2013-03-01

Development of methods for quantification of cellular association and patterns in growing bacterial colony is of considerable current interest, not only to help understand multicellular behavior of a bacterial species but also to facilitate detection and identification of a bacterial species in a given space and under a given set of condition(s). We have explored quantitative spectral light scattering polarimetry for probing the morphological and structural changes taking place during colony formations of growing Bacillus thuringiensis bacteria under different conditions (in normal nutrient agar representing favorable growth environment, in the presence of 1% glucose as an additional nutrient, and 3 mM sodium arsenate as toxic material). The method is based on the measurement of spectral 3×3 Mueller matrices (which involves linear polarization measurements alone) and its subsequent analysis via polar decomposition to extract the intrinsic polarization parameters. Moreover, the fractal micro-optical parameter, namely, the Hurst exponent H, is determined via fractal-Born approximation-based inverse analysis of the polarization-preserving component of the light scattering spectra. Interesting differences are noted in the derived values for the H parameter and the intrinsic polarization parameters (linear diattenuation d, linear retardance δ, and linear depolarization Δ coefficients) of the growing bacterial colonies under different conditions. The bacterial colony growing in presence of 1% glucose exhibit the strongest fractality (lowest value of H), whereas that growing in presence of 3 mM sodium arsenate showed the weakest fractality. Moreover, the values for δ and d parameters are found to be considerably higher for the colony growing in presence of glucose, indicating more structured growth pattern. These findings are corroborated further with optical microscopic studies conducted on the same samples.

Chemical Characterization and Determination of the Anti-Oxidant Capacity of Two Brown Algae with Respect to Sampling Season and Morphological Structures Using Infrared Spectroscopy and Multivariate Analyses.

PubMed

Beratto, Angelo; Agurto, Cristian; Freer, Juanita; Peña-Farfal, Carlos; Troncoso, Nicolás; Agurto, Andrés; Castillo, Rosario Del P

2017-10-01

Brown algae biomass has been shown to be a highly important industrial source for the production of alginates and different nutraceutical products. The characterization of this biomass is necessary in order to allocate its use to specific applications according to the chemical and biological characteristics of this highly variable resource. The methods commonly used for algae characterization require a long time for the analysis and rigorous pretreatments of samples. In this work, nondestructive and fast analyses of different morphological structures from Lessonia spicata and Macrocystis pyrifera, which were collected during different seasons, were performed using Fourier transform infrared (FT-IR) techniques in combination with chemometric methods. Mid-infrared (IR) and near-infrared (NIR) spectral ranges were tested to evaluate the spectral differences between the species, seasons, and morphological structures of algae using a principal component analysis (PCA). Quantitative analyses of the polyphenol and alginate contents and the anti-oxidant capacity of the samples were performed using partial least squares (PLS) with both spectral ranges in order to build a predictive model for the rapid quantification of these parameters with industrial purposes. The PCA mainly showed differences in the samples based on seasonal sampling, where changes were observed in the bands corresponding to polysaccharides, proteins, and lipids. The obtained PLS models had high correlation coefficients (r) for the polyphenol content and anti-oxidant capacity (r > 0.9) and lower values for the alginate determination (0.7 < r < 0.8). Fourier transform infrared-based techniques were suitable tools for the rapid characterization of algae biomass, in which high variability in the samples was incorporated for the qualitative and quantitative analyses, and have the potential to be used on an industrial scale.

Real-time detection of organic contamination events in water distribution systems by principal components analysis of ultraviolet spectral data.

PubMed

Zhang, Jian; Hou, Dibo; Wang, Ke; Huang, Pingjie; Zhang, Guangxin; Loáiciga, Hugo

2017-05-01

The detection of organic contaminants in water distribution systems is essential to protect public health from potential harmful compounds resulting from accidental spills or intentional releases. Existing methods for detecting organic contaminants are based on quantitative analyses such as chemical testing and gas/liquid chromatography, which are time- and reagent-consuming and involve costly maintenance. This study proposes a novel procedure based on discrete wavelet transform and principal component analysis for detecting organic contamination events from ultraviolet spectral data. Firstly, the spectrum of each observation is transformed using discrete wavelet with a coiflet mother wavelet to capture the abrupt change along the wavelength. Principal component analysis is then employed to approximate the spectra based on capture and fusion features. The significant value of Hotelling's T 2 statistics is calculated and used to detect outliers. An alarm of contamination event is triggered by sequential Bayesian analysis when the outliers appear continuously in several observations. The effectiveness of the proposed procedure is tested on-line using a pilot-scale setup and experimental data.

Multi-site recording and spectral analysis of spontaneous photon emission from human body.

PubMed

Wijk, Eduard P A Van; Wijk, Roeland Van

2005-04-01

In the past years, research on ultraweak photon emission (UPE) from human body has increased for isolated cells and tissues. However, there are only limited data on UPE from the whole body, in particular from the hands. To describe a protocol for the management of subjects that (1) avoids interference with light-induced longterm delayed luminescence, and (2) includes the time slots for recording photon emission. The protocol was utilised for multi-site recording of 4 subjects at different times of the day and different seasons, and for one subject to complete spectral analysis of emission from different body locations. An especially selected low-noise end-window photomultiplier was utilised for the detection of ultraviolet / visible light (200-650 nm) photon emission. For multi-site recording it was manipulated in three directions in a darkroom with a very low count rate. A series of cut-off filters was used for spectral analysis of UPE. 29 body sites were selected such that the distribution in UPE could be studied as right-left symmetry, dorsal-ventral symmetry, and the ratio between the central body part and extremities. Generally, the fluctuation in photon counts over the body was lower in the morning than in the afternoon. The thorax-abdomen region emitted lowest and most constantly. The upper extremities and the head region emitted most and increasingly over the day. Spectral analysis of low, intermediate and high emission from the superior frontal part of the right leg, the forehead and the palms in the sensitivity range of the photomultiplier showed the major spontaneous emission at 470-570 nm. The central palm area of hand emission showed a larger contribution of the 420-470 nm range in the spectrum of spontaneous emission from the hand in autumn/winter. The spectrum of delayed luminescence from the hand showed major emission in the same range as spontaneous emission. Examples of multi-site UPE recordings and spectral analysis revealed individual patterns and dynamics of spontaneous UPE over the body, and spectral differences over the body. The spectral data suggest that measurements might well provide quantitative data on the individual pattern of peroxidative and anti-oxidative processes in vivo. We expect that the measurements provide physiological information that can be useful in clinical examination.

Uncertainty of rotating shadowband irradiometers and Si-pyranometers including the spectral irradiance error

NASA Astrophysics Data System (ADS)

Wilbert, Stefan; Kleindiek, Stefan; Nouri, Bijan; Geuder, Norbert; Habte, Aron; Schwandt, Marko; Vignola, Frank

2016-05-01

Concentrating solar power projects require accurate direct normal irradiance (DNI) data including uncertainty specifications for plant layout and cost calculations. Ground measured data are necessary to obtain the required level of accuracy and are often obtained with Rotating Shadowband Irradiometers (RSI) that use photodiode pyranometers and correction functions to account for systematic effects. The uncertainty of Si-pyranometers has been investigated, but so far basically empirical studies were published or decisive uncertainty influences had to be estimated based on experience in analytical studies. One of the most crucial estimated influences is the spectral irradiance error because Si-photodiode-pyranometers only detect visible and color infrared radiation and have a spectral response that varies strongly within this wavelength interval. Furthermore, analytic studies did not discuss the role of correction functions and the uncertainty introduced by imperfect shading. In order to further improve the bankability of RSI and Si-pyranometer data, a detailed uncertainty analysis following the Guide to the Expression of Uncertainty in Measurement (GUM) has been carried out. The study defines a method for the derivation of the spectral error and spectral uncertainties and presents quantitative values of the spectral and overall uncertainties. Data from the PSA station in southern Spain was selected for the analysis. Average standard uncertainties for corrected 10 min data of 2 % for global horizontal irradiance (GHI), and 2.9 % for DNI (for GHI and DNI over 300 W/m²) were found for the 2012 yearly dataset when separate GHI and DHI calibration constants were used. Also the uncertainty in 1 min resolution was analyzed. The effect of correction functions is significant. The uncertainties found in this study are consistent with results of previous empirical studies.

Quantitative monitoring of sucrose, reducing sugar and total sugar dynamics for phenotyping of water-deficit stress tolerance in rice through spectroscopy and chemometrics

NASA Astrophysics Data System (ADS)

Das, Bappa; Sahoo, Rabi N.; Pargal, Sourabh; Krishna, Gopal; Verma, Rakesh; Chinnusamy, Viswanathan; Sehgal, Vinay K.; Gupta, Vinod K.; Dash, Sushanta K.; Swain, Padmini

2018-03-01

In the present investigation, the changes in sucrose, reducing and total sugar content due to water-deficit stress in rice leaves were modeled using visible, near infrared (VNIR) and shortwave infrared (SWIR) spectroscopy. The objectives of the study were to identify the best vegetation indices and suitable multivariate technique based on precise analysis of hyperspectral data (350 to 2500 nm) and sucrose, reducing sugar and total sugar content measured at different stress levels from 16 different rice genotypes. Spectral data analysis was done to identify suitable spectral indices and models for sucrose estimation. Novel spectral indices in near infrared (NIR) range viz. ratio spectral index (RSI) and normalised difference spectral indices (NDSI) sensitive to sucrose, reducing sugar and total sugar content were identified which were subsequently calibrated and validated. The RSI and NDSI models had R2 values of 0.65, 0.71 and 0.67; RPD values of 1.68, 1.95 and 1.66 for sucrose, reducing sugar and total sugar, respectively for validation dataset. Different multivariate spectral models such as artificial neural network (ANN), multivariate adaptive regression splines (MARS), multiple linear regression (MLR), partial least square regression (PLSR), random forest regression (RFR) and support vector machine regression (SVMR) were also evaluated. The best performing multivariate models for sucrose, reducing sugars and total sugars were found to be, MARS, ANN and MARS, respectively with respect to RPD values of 2.08, 2.44, and 1.93. Results indicated that VNIR and SWIR spectroscopy combined with multivariate calibration can be used as a reliable alternative to conventional methods for measurement of sucrose, reducing sugars and total sugars of rice under water-deficit stress as this technique is fast, economic, and noninvasive.

Uncertainty of Rotating Shadowband Irradiometers and Si-Pyranometers Including the Spectral Irradiance Error

DOE Office of Scientific and Technical Information (OSTI.GOV)

Wilbert, Stefan; Kleindiek, Stefan; Nouri, Bijan

2016-05-31

Concentrating solar power projects require accurate direct normal irradiance (DNI) data including uncertainty specifications for plant layout and cost calculations. Ground measured data are necessary to obtain the required level of accuracy and are often obtained with Rotating Shadowband Irradiometers (RSI) that use photodiode pyranometers and correction functions to account for systematic effects. The uncertainty of Si-pyranometers has been investigated, but so far basically empirical studies were published or decisive uncertainty influences had to be estimated based on experience in analytical studies. One of the most crucial estimated influences is the spectral irradiance error because Si-photodiode-pyranometers only detect visible andmore » color infrared radiation and have a spectral response that varies strongly within this wavelength interval. Furthermore, analytic studies did not discuss the role of correction functions and the uncertainty introduced by imperfect shading. In order to further improve the bankability of RSI and Si-pyranometer data, a detailed uncertainty analysis following the Guide to the Expression of Uncertainty in Measurement (GUM) has been carried out. The study defines a method for the derivation of the spectral error and spectral uncertainties and presents quantitative values of the spectral and overall uncertainties. Data from the PSA station in southern Spain was selected for the analysis. Average standard uncertainties for corrected 10 min data of 2% for global horizontal irradiance (GHI), and 2.9% for DNI (for GHI and DNI over 300 W/m2) were found for the 2012 yearly dataset when separate GHI and DHI calibration constants were used. Also the uncertainty in 1 min resolution was analyzed. The effect of correction functions is significant. The uncertainties found in this study are consistent with results of previous empirical studies.« less

Abell 48 - a rare WN-type central star of a planetary nebula

NASA Astrophysics Data System (ADS)

Todt, H.; Kniazev, A. Y.; Gvaramadze, V. V.; Hamann, W.-R.; Buckley, D.; Crause, L.; Crawford, S. M.; Gulbis, A. A. S.; Hettlage, C.; Hooper, E.; Husser, T.-O.; Kotze, P.; Loaring, N.; Nordsieck, K. H.; O'Donoghue, D.; Pickering, T.; Potter, S.; Romero-Colmenero, E.; Vaisanen, P.; Williams, T.; Wolf, M.

2013-04-01

A considerable fraction of the central stars of planetary nebulae (CSPNe) are hydrogen-deficient. Almost all of these H-deficient central stars (CSs) display spectra with strong carbon and helium lines. Most of them exhibit emission-line spectra resembling those of massive WC stars. Therefore these stars are classed as CSPNe of spectral type [WC]. Recently, quantitative spectral analysis of two emission-line CSs, PB 8 and IC 4663, revealed that these stars do not belong to the [WC] class. Instead PB 8 has been classified as [WN/WC] type and IC 4663 as [WN] type. In this work we report the spectroscopic identification of another rare [WN] star, the CS of Abell 48. We performed a spectral analysis of Abell 48 with the Potsdam Wolf-Rayet (PoWR) models for expanding atmospheres. We find that the expanding atmosphere of Abell 48 is mainly composed of helium (85 per cent by mass), hydrogen (10 per cent) and nitrogen (5 per cent). The residual hydrogen and the enhanced nitrogen abundance make this object different from the other [WN] star IC 4663. We discuss the possible origin of this atmospheric composition.

Technical Note: Quantitative accuracy evaluation for spectral images from a detector-based spectral CT scanner using an iodine phantom.

PubMed

Duan, Xinhui; Arbique, Gary; Guild, Jeffrey; Xi, Yin; Anderson, Jon

2018-05-01

The purpose of this study was to evaluate the quantitative accuracy of spectral images from a detector-based spectral CT scanner using a phantom with iodine-loaded inserts. A 40-cm long-body phantom with seven iodine inserts (2-20 mg/ml of iodine) was used in the study. The inserts could be placed at 5.5 or 10.5 cm from the phantom axis. The phantom was scanned five times for each insert configuration using 120 kVp tube voltage. A set of iodine, virtual noncontrast, effective atomic number, and virtual monoenergetic spectral CT images were generated and measurements were made for all the iodine rods. Measured values were compared with reference values calculated from the chemical composition information provided by the phantom manufacturer. Radiation dose from the spectral CT was compared to a conventional CT using a CTDI (32 cm) phantom. Good agreement between measurements and reference values was achieved for all types of spectral images. The differences ranged from -0.46 to 0.1 mg/ml for iodine concentration, -9.95 to 6.41 HU for virtual noncontrast images, 0.12 to 0.35 for effective Z images, and -17.7 to 55.7 HU for virtual monoenergetic images. For a similar CTDIvol, image noise from the conventional CT was 10% lower than the spectral CT. The detector-based spectral CT can achieve accurate spectral measurements on iodine concentration, virtual non-contrast images, effective atomic numbers, and virtual monoenergetic images. © 2018 American Association of Physicists in Medicine.

8-13 Hz fluctuations in rectal pressure are an objective marker of clitorally-induced orgasm in women.

PubMed

van Netten, Jaap J; Georgiadis, Janniko R; Nieuwenburg, Arie; Kortekaas, Rudie

2008-04-01

Orgasm is a subjective experience accompanied by involuntary muscle contractions. We hypothesized that orgasm in women would be distinguishable by frequency analysis of a perineal muscle-derived signal. Rectal pressure, an index of perineal muscle activity, was measured continuously in 23 healthy women during different sexual tasks: receiving clitoral stimulation, imitation of orgasm, and attempt to reach orgasm, in which case the women were asked to report whether orgasm had been reached ("orgasm") or not ("failed orgasm attempt"). We performed spectral analysis on the rectal pressure data and calculated the spectral power in the frequency bands delta (0.5-4 Hz), theta (4-8 Hz), alpha (8-13 Hz), and beta (13-25 Hz). The most significant and most important difference in spectral power between orgasm and both control motor tasks (imitation of orgasm and failed orgasm attempt) was found in the alpha band. An objective rule based on spectral power in the alpha band recognized 94% (29/31) of orgasms and correctly labeled 69% (44/64) of all orgasm attempts as either successful or failed. Because outbursts of alpha fluctuations in rectal pressure only occurred during orgasm and not during voluntary imitation of orgasm or failed attempts, we propose that they represent involuntary contractions of muscles in the rectal vicinity. This is the first objective and quantitative measure that has a strong correspondence with the subjective experience of orgasm.

QEEG and LORETA in Teenagers With Conduct Disorder and Psychopathic Traits.

PubMed

Calzada-Reyes, Ana; Alvarez-Amador, Alfredo; Galán-García, Lídice; Valdés-Sosa, Mitchell

2017-05-01

Few studies have investigated the impact of the psychopathic traits on the EEG of teenagers with conduct disorder (CD). To date, there is no other research studying low-resolution brain electromagnetic tomography (LORETA) technique using quantitative EEG (QEEG) analysis in adolescents with CD and psychopathic traits. To find electrophysiological differences specifically related to the psychopathic traits. The current investigation compares the QEEG and the current source density measures between adolescents with CD and psychopathic traits and adolescents with CD without psychopathic traits. The resting EEG activity and LORETA for the EEG fast spectral bands were evaluated in 42 teenagers with CD, 25 with and 17 without psychopathic traits according to the Antisocial Process Screening Device. All adolescents were assessed using the DSM-IV-TR criteria. The EEG visual inspection characteristics and the use of frequency domain quantitative analysis techniques (narrow band spectral parameters) are described. QEEG analysis showed a pattern of beta activity excess on the bilateral frontal-temporal regions and decreases of alpha band power on the left central-temporal and right frontal-central-temporal regions in the psychopathic traits group. Current source density calculated at 17.18 Hz showed an increase within fronto-temporo-striatal regions in the psychopathic relative to the nonpsychopathic traits group. These findings indicate that QEEG analysis and techniques of source localization may reveal differences in brain electrical activity among teenagers with CD and psychopathic traits, which was not obvious to visual inspection. Taken together, these results suggest that abnormalities in a fronto-temporo-striatal network play a relevant role in the neurobiological basis of psychopathic behavior.

[High Precision Identification of Igneous Rock Lithology by Laser Induced Breakdown Spectroscopy].

PubMed

Wang, Chao; Zhang, Wei-gang; Yan, Zhi-quan

2015-09-01

In the field of petroleum exploration, lithology identification of finely cuttings sample, especially high precision identification of igneous rock with similar property, has become one of the geological problems. In order to solve this problem, a new method is proposed based on element analysis of Laser-Induced Breakdown Spectroscopy (LIBS) and Total Alkali versus Silica (TAS) diagram. Using independent LIBS system, factors influencing spectral signal, such as pulse energy, acquisition time delay, spectrum acquisition method and pre-ablation are researched through contrast experiments systematically. The best analysis conditions of igneous rock are determined: pulse energy is 50 mJ, acquisition time delay is 2 μs, the analysis result is integral average of 20 different points of sample's surface, and pre-ablation has been proved not suitable for igneous rock sample by experiment. The repeatability of spectral data is improved effectively. Characteristic lines of 7 elements (Na, Mg, Al, Si, K, Ca, Fe) commonly used for lithology identification of igneous rock are determined, and igneous rock samples of different lithology are analyzed and compared. Calibration curves of Na, K, Si are generated by using national standard series of rock samples, and all the linearly dependent coefficients are greater than 0.9. The accuracy of quantitative analysis is investigated by national standard samples. Element content of igneous rock is analyzed quantitatively by calibration curve, and its lithology is identified accurately by the method of TAS diagram, whose accuracy rate is 90.7%. The study indicates that LIBS can effectively achieve the high precision identification of the lithology of igneous rock.

Columnar characteristics of aerosols by spectroradiometer measurements in the maritime area of the Cadiz Gulf (Spain)

NASA Astrophysics Data System (ADS)

Vergaz, Ricardo; Cachorro, Victoria E.; de Frutos, Ángel M.; Vilaplana, José M.; de La Morena, Benito A.

2005-11-01

Atmospheric aerosol characteristics represented by the spectral aerosol optical depth AOD) and the Ångström turbidity parameter were determined in the coastal area of the Gulf of Cádiz, (southwest of Spain). The columnar aerosol properties presented here correspond to the 1996-1999 period, and were obtained by solar direct irradiance measurements carried out by a Licor1800 spectroradiometer. The performance of this type of medium-spectral resolution radiometric system is analysed over the measured period. The detailed spectral information of these irradiance measurements enabled the use of selected non-absorption gases spectral windows to determine the columnar spectral AOD that was modelled by Ångström formula to obtain the coefficient. Temporal evolutions of instantaneous values together with a general statistical analysis represented by seasonal values, frequency distributions and some representative correlations for the AOD and the derived Ångström coefficient gave us the first insight of aerosol characteristics in this coastal area. Special attention was paid to the analysis of these aerosol properties at the nominal wavelengths of 440 nm, 670 nm, 870 nm and 1020 nm for the near-future comparisons with the Cimel sun-photometer data. However, taking the most representative aerosol wavelength of 500 nm, the variability of the AOD ranges from 0.005 to 0.53, with a mean of 0.12 (s.d = 0.07) and that of the parameter is given by a mean value of 0.93 (s.d. = 0.58) falling inside the range of marine aerosols. A quantitative discrimination of aerosol types was conducted on the basis of the spectral aerosol properties and air mass back trajectory analysis, which resulted in a mixed type because of the specificity of this area, given by very frequent desert dust episodes, continental and polluted local influences. This study represents the first extended data characterization about columnar properties of aerosols in Spain which has been continued by Cimel-AERONET data. Copyright

A new approach for the calculation of response spectral density of a linear stationary random multidegree of freedom system

NASA Astrophysics Data System (ADS)

Sharan, A. M.; Sankar, S.; Sankar, T. S.

1982-08-01

A new approach for the calculation of response spectral density for a linear stationary random multidegree of freedom system is presented. The method is based on modifying the stochastic dynamic equations of the system by using a set of auxiliary variables. The response spectral density matrix obtained by using this new approach contains the spectral densities and the cross-spectral densities of the system generalized displacements and velocities. The new method requires significantly less computation time as compared to the conventional method for calculating response spectral densities. Two numerical examples are presented to compare quantitatively the computation time.

Drug Treated Schizophrenia, Schizoaffective and Bipolar Disorder Patients Evaluated by qEEG Absolute Spectral Power and Mean Frequency Analysis.

PubMed

Wix-Ramos, Richard; Moreno, Xiomara; Capote, Eduardo; González, Gilbert; Uribe, Ezequiel; Eblen-Zajjur, Antonio

2014-04-01

Research of electroencephalograph (EEG) power spectrum and mean frequency has shown inconsistent results in patients with schizophrenic, schizoaffective and bipolar disorders during medication when compared to normal subjects thus; the characterization of these parameters is an important task. We applied quantitative EEG (qEEG) to investigate 38 control, 15 schizophrenic, 7 schizoaffective and 11 bipolar disorder subjects which remaine under the administration of psychotropic drugs (except control group). Absolute spectral power (ASP), mean frequency and hemispheric electrical asymmetry were measured by 19 derivation qEEG. Group mean values were compared with non parametrical Mann-Whitney test and spectral EEG maps with z-score method at p < 0.05. Most frequent drug treatments for schizophrenic patients were neuroleptic+antiepileptic (40% of cases) or 2 neuroleptics (33.3%). Schizoaffective patients received neuroleptic+benzodiazepine (71.4%) and for bipolar disorder patients neuroleptic+antiepileptic (81.8%). Schizophrenic (at all derivations except for Fp1, Fp2, F8 and T6) and schizoaffective (only at C3) show higher values of ASP (+57.7% and +86.1% respectively) compared to control group. ASP of bipolar disorder patients did not show differences against control group. The mean frequency was higher at Fp1 (+14.2%) and Fp2 (+17.4%) in bipolar disorder patients than control group, but no differences were found in frequencies between schizophrenic or schizoaffective patients against the control group. Majority of spectral differences were found at the left hemisphere in schizophrenic and schizoaffective but not in bipolar disorder subjects. The present report contributes to characterize quantitatively the qEEG in drug treated schizophrenic, schizoaffective or bipolar disorder patients.

[Cross comparison of ASTER and Landsat ETM+ multispectral measurements for NDVI and SAVI vegetation indices].

PubMed

Xu, Han-qiu; Zhang, Tie-jun

2011-07-01

The present paper investigates the quantitative relationship between the NDVI and SAVI vegetation indices of Landsat and ASTER sensors based on three tandem image pairs. The study examines how well ASTER sensor vegetation observations replicate ETM+ vegetation observations, and more importantly, the difference in the vegetation observations between the two sensors. The DN values of the three image pairs were first converted to at-sensor reflectance to reduce radiometric differences between two sensors, images. The NDVI and SAVI vegetation indices of the two sensors were then calculated using the converted reflectance. The quantitative relationship was revealed through regression analysis on the scatter plots of the vegetation index values of the two sensors. The models for the conversion between the two sensors, vegetation indices were also obtained from the regression. The results show that the difference does exist between the two sensors, vegetation indices though they have a very strong positive linear relationship. The study found that the red and near infrared measurements differ between the two sensors, with ASTER generally producing higher reflectance in the red band and lower reflectance in the near infrared band than the ETM+ sensor. This results in the ASTER sensor producing lower spectral vegetation index measurements, for the same target, than ETM+. The relative spectral response function differences in the red and near infrared bands between the two sensors are believed to be the main factor contributing to their differences in vegetation index measurements, because the red and near infrared relative spectral response features of the ASTER sensor overlap the vegetation "red edge" spectral region. The obtained conversion models have high accuracy with a RMSE less than 0.04 for both sensors' inter-conversion between corresponding vegetation indices.

Spectral characterization of laser-accelerated protons with CR-39 nuclear track detector.

PubMed

Seimetz, M; Bellido, P; García, P; Mur, P; Iborra, A; Soriano, A; Hülber, T; García López, J; Jiménez-Ramos, M C; Lera, R; Ruiz-de la Cruz, A; Sánchez, I; Zaffino, R; Roso, L; Benlloch, J M

2018-02-01

CR-39 nuclear track material is frequently used for the detection of protons accelerated in laser-plasma interactions. The measurement of track densities allows for determination of particle angular distributions, and information on the kinetic energy can be obtained by the use of passive absorbers. We present a precise method of measuring spectral distributions of laser-accelerated protons in a single etching and analysis process. We make use of a one-to-one relation between proton energy and track size and present a precise calibration based on monoenergetic particle beams. While this relation is limited to proton energies below 1 MeV, we show that the range of spectral measurements can be significantly extended by simultaneous use of absorbers of suitable thicknesses. Examples from laser-plasma interactions are presented, and quantitative results on proton energies and particle numbers are compared to those obtained from a time-of-flight detector. The spectrum end points of continuous energy distributions have been determined with both detector types and coincide within 50-100 keV.

Quantitative characterization of conformational-specific protein-DNA binding using a dual-spectral interferometric imaging biosensor

NASA Astrophysics Data System (ADS)

Zhang, Xirui; Daaboul, George G.; Spuhler, Philipp S.; Dröge, Peter; Ünlü, M. Selim

2016-03-01

DNA-binding proteins play crucial roles in the maintenance and functions of the genome and yet, their specific binding mechanisms are not fully understood. Recently, it was discovered that DNA-binding proteins recognize specific binding sites to carry out their functions through an indirect readout mechanism by recognizing and capturing DNA conformational flexibility and deformation. High-throughput DNA microarray-based methods that provide large-scale protein-DNA binding information have shown effective and comprehensive analysis of protein-DNA binding affinities, but do not provide information of DNA conformational changes in specific protein-DNA complexes. Building on the high-throughput capability of DNA microarrays, we demonstrate a quantitative approach that simultaneously measures the amount of protein binding to DNA and nanometer-scale DNA conformational change induced by protein binding in a microarray format. Both measurements rely on spectral interferometry on a layered substrate using a single optical instrument in two distinct modalities. In the first modality, we quantitate the amount of binding of protein to surface-immobilized DNA in each DNA spot using a label-free spectral reflectivity technique that accurately measures the surface densities of protein and DNA accumulated on the substrate. In the second modality, for each DNA spot, we simultaneously measure DNA conformational change using a fluorescence vertical sectioning technique that determines average axial height of fluorophores tagged to specific nucleotides of the surface-immobilized DNA. The approach presented in this paper, when combined with current high-throughput DNA microarray-based technologies, has the potential to serve as a rapid and simple method for quantitative and large-scale characterization of conformational specific protein-DNA interactions.DNA-binding proteins play crucial roles in the maintenance and functions of the genome and yet, their specific binding mechanisms are not fully understood. Recently, it was discovered that DNA-binding proteins recognize specific binding sites to carry out their functions through an indirect readout mechanism by recognizing and capturing DNA conformational flexibility and deformation. High-throughput DNA microarray-based methods that provide large-scale protein-DNA binding information have shown effective and comprehensive analysis of protein-DNA binding affinities, but do not provide information of DNA conformational changes in specific protein-DNA complexes. Building on the high-throughput capability of DNA microarrays, we demonstrate a quantitative approach that simultaneously measures the amount of protein binding to DNA and nanometer-scale DNA conformational change induced by protein binding in a microarray format. Both measurements rely on spectral interferometry on a layered substrate using a single optical instrument in two distinct modalities. In the first modality, we quantitate the amount of binding of protein to surface-immobilized DNA in each DNA spot using a label-free spectral reflectivity technique that accurately measures the surface densities of protein and DNA accumulated on the substrate. In the second modality, for each DNA spot, we simultaneously measure DNA conformational change using a fluorescence vertical sectioning technique that determines average axial height of fluorophores tagged to specific nucleotides of the surface-immobilized DNA. The approach presented in this paper, when combined with current high-throughput DNA microarray-based technologies, has the potential to serve as a rapid and simple method for quantitative and large-scale characterization of conformational specific protein-DNA interactions. Electronic supplementary information (ESI) available: DNA sequences and nomenclature (Table 1S); SDS-PAGE assay of IHF stock solution (Fig. 1S); determination of the concentration of IHF stock solution by Bradford assay (Fig. 2S); equilibrium binding isotherm fitting results of other DNA sequences (Table 2S); calculation of dissociation constants (Fig. 3S, 4S; Table 2S); geometric model for quantitation of DNA bending angle induced by specific IHF binding (Fig. 4S); customized flow cell assembly (Fig. 5S); real-time measurement of average fluorophore height change by SSFM (Fig. 6S); summary of binding parameters obtained from additive isotherm model fitting (Table 3S); average surface densities of 10 dsDNA spots and bound IHF at equilibrium (Table 4S); effects of surface densities on the binding and bending of dsDNA (Tables 5S, 6S and Fig. 7S-10S). See DOI: 10.1039/c5nr06785e

Spectral identification of minerals using imaging spectrometry data: Evaluating the effects of signal to noise and spectral resolution using the tricorder algorithm

NASA Technical Reports Server (NTRS)

Swayze, Gregg A.; Clark, Roger N.

1995-01-01

The rapid development of sophisticated imaging spectrometers and resulting flood of imaging spectrometry data has prompted a rapid parallel development of spectral-information extraction technology. Even though these extraction techniques have evolved along different lines (band-shape fitting, endmember unmixing, near-infrared analysis, neural-network fitting, and expert systems to name a few), all are limited by the spectrometer's signal to noise (S/N) and spectral resolution in producing useful information. This study grew from a need to quantitatively determine what effects these parameters have on our ability to differentiate between mineral absorption features using a band-shape fitting algorithm. We chose to evaluate the AVIRIS, HYDICE, MIVIS, GERIS, VIMS, NIMS, and ASTER instruments because they collect data over wide S/N and spectral-resolution ranges. The study evaluates the performance of the Tricorder algorithm, in differentiating between mineral spectra in the 0.4-2.5 micrometer spectral region. The strength of the Tricorder algorithm is in its ability to produce an easily understood comparison of band shape that can concentrate on small relevant portions of the spectra, giving it an advantage over most unmixing schemes, and in that it need not spend large amounts of time reoptimizing each time a new mineral component is added to its reference library, as is the case with neural-network schemes. We believe the flexibility of the Tricorder algorithm is unparalleled among spectral-extraction techniques and that the results from this study, although dealing with minerals, will have direct applications to spectral identification in other disciplines.

Spectral distribution of solar radiation

NASA Technical Reports Server (NTRS)

Mecherikunnel, A. T.; Richmond, J.

1980-01-01

Available quantitative data on solar total and spectral irradiance are examined in the context of utilization of solar irradiance for terrestrial applications of solar energy. The extraterrestrial solar total and spectral irradiance values are also reviewed. Computed values of solar spectral irradiance at ground level for different air mass values and various levels of atmospheric pollution or turbidity are presented. Wavelengths are given for computation of solar, absorptance, transmittance and reflectance by the 100 selected-ordinate method and by the 50 selected-ordinate method for air mass 1.5 and 2 solar spectral irradiance for the four levels of atmospheric pollution.

Determining the source locations of martian meteorites: Hapke mixture models applied to CRISM simulated data of igneous mineral mixtures and martian meteorites

NASA Astrophysics Data System (ADS)

Harris, Jennifer; Grindrod, Peter

2017-04-01

At present, martian meteorites represent the only samples of Mars available for study in terrestrial laboratories. However, these samples have never been definitively tied to source locations on Mars, meaning that the fundamental geological context is missing. The goal of this work is to link the bulk mineralogical analyses of martian meteorites to the surface geology of Mars through spectral mixture analysis of hyperspectral imagery. Hapke radiation transfer modelling has been shown to provide accurate (within 5 - 10% absolute error) mineral abundance values from laboratory derived hyperspectral measurements of binary [1] and ternary [2] mixtures of plagioclase, pyroxene and olivine. These three minerals form the vast bulk of the SNC meteorites [3] and the bedrock of the Amazonian provinces on Mars that are inferred to be the source regions for these meteorites based on isotopic aging. Spectral unmixing through the Hapke model could be used to quantitatively analyse the Martian surface and pinpoint the exact craters from which the SNC meteorites originated. However the Hapke model is complex with numerous variables, many of which are determinable in laboratory conditions but not from remote measurements of a planetary surface. Using binary and tertiary spectral mixtures and martian meteorite spectra from the RELAB spectral library, the accuracy of Hapke abundance estimation is investigated in the face of increasing constraints and simplifications to simulate CRISM data. Constraints and simplifications include reduced spectral resolution, additional noise, unknown endmembers and unknown particle physical characteristics. CRISM operates in two spectral resolutions, the Full Resolution Targeted (FRT) with which it has imaged approximately 2% of the martian surface, and the lower spectral resolution MultiSpectral Survey mode (MSP) with which it has covered the vast majority of the surface. On resampling the RELAB spectral mixtures to these two wavelength ranges it was found that with the lower spectral resolution the Hapke abundance results were just as accurate (within 7% absolute error) as with the higher resolution. Further results taking into account additional noise from both instrument and atmospheric sources and the potential presence of minor amounts of accessory minerals, and the selection of appropriate spectral endmembers where the exact endmembers present are unknown shall be presented. References [1] Mustard, J. F., Pieters, C. M., Quantitative abundance estimates from bidirectional reflectance measurements, Journal of Geophysical Research, Vol. 92, B4, E617 - E626, 1987 [2] Li, S., Milliken, R. E., Estimating the modal mineralogy of eucrite and diogenite meteorites using visible-near infrared reflectance spectroscopy, Meteoritics and Planetary Science, Vol. 50, 11, 1821 - 1850, 2015 [3] Hutchinson, R., Meteorites: A petrologic, chemical and isotopic synthesis, Cambridge University Press, 2004

Mars Surface Compositional Units and Some Geological Implications from the Mars Express High Resolution Stereo Camera (HRSC)

NASA Astrophysics Data System (ADS)

McCord, T. B.; Combe, J.-P.; Hayne, P. O.

We are investigating the composition of the Martian surface partly by mapping the small spatial variations of water ice and salt minerals using the spectral images provided by the High Resolution Stereo Camera (HRSC). In order to identify the main mineral components, high spectral resolution data from the Observatoire pour la Mineralogie, l'Eau, les Glaces et l'Activite (OMEGA) imaging spectrometer are used. The join analysis of these two dataset makes the most of their respective abilities and, because of that, it requires a close agreement of their calibration [1]. The first part of this work is a comparison of HRSC and OMEGA measurements, exploration of atmosphere effects and checks of calibration. Then, an attempt to detect and map quantitatively at high spatial resolution (1) water ice both at the poles and in equatorial regions and (2) salts minerals is performed by exploring the spectral types evidenced in HRSC color data. For a given region, these two materials do or could represent additional endmember compositional units detectable with HRSC in addition to the basic units so far: 1) dark rock (basalt) and 2) red rock (iron oxide-rich material) [1]. Both materials also have been reported detected by OMEGA, but at much lower spatial resolution than HRSC. An ice mapping of the north polar regions is performed with OMEGA data by using a spectral index calibrated to ice fraction by using a set of linear combinations of various categories of materials with ice. In addition, a linear spectral unmixing model is used on HRSC data. Both ice fraction maps produce similar quantitative results, allowing us to interpret HRSC data at their full spatial resolution. Low-latitude sites are also explored where past but recent glacial activities have been reported as possible evidence of current water-ice. This includes looking for fresh frost and changes with time. The salt detection with HRSC firstly focused on the Candor Chasma area, where salt have been reported by using OMEGA [2]. The present work extends the analysis to other regions in order to constrain better the general geology and climate of Mars. References: [1] McCord T. B., et al. (2006). The Mars Express High Resolution Stereo Camera spectrophotometric data: Characteristics and science analysis, JGR, submitted. [2] Gendrin, A., N. Mangold, J-P. Bibring, Y. Langevin, B. Gondet, F. Poulet, G. Bonello, C. Quantin, J. Mustard, R. Arvidson, S. LeMouelic (2005), Sulfates in Martian layered terrains: The OMEGA/Mars Express View, Science, 307, 1587-1591

Remote quantitative analysis of minerals based on multispectral line-calibrated laser-induced breakdown spectroscopy (LIBS).

PubMed

Wan, Xiong; Wang, Peng

2014-01-01

Laser-induced breakdown spectroscopy (LIBS) is a feasible remote sensing technique used for mineral analysis in some unapproachable places where in situ probing is needed, such as analysis of radioactive elements in a nuclear leak or the detection of elemental compositions and contents of minerals on planetary and lunar surfaces. Here a compact custom 15 m focus optical component, combining a six times beam expander with a telescope, has been built, with which the laser beam of a 1064 nm Nd ; YAG laser is focused on remote minerals. The excited LIBS signals that reveal the elemental compositions of minerals are collected by another compact single lens-based signal acquisition system. In our remote LIBS investigations, the LIBS spectra of an unknown ore have been detected, from which the metal compositions are obtained. In addition, a multi-spectral line calibration (MSLC) method is proposed for the quantitative analysis of elements. The feasibility of the MSLC and its superiority over a single-wavelength determination have been confirmed by comparison with traditional chemical analysis of the copper content in the ore.

Preliminary study on the differentiation between parapelvic cyst and hydronephrosis with non-calculous using only pre-contrast dual-energy spectral CT scans

PubMed Central

Han, Dong; Ma, Guangming; Wei, Lequn; Ren, Chenglong; Zhou, Jieli; Shen, Chen

2017-01-01

Objective: To investigate the value of using the quantitative parameters from only the pre-contrast dual-energy spectral CT imaging for distinguishing between parapelvic cyst and hydronephrosis with non-calculous (HNC). Methods: This retrospective study was approved by the institutional review board. 28 patients with parapelvic cyst and 24 patients with HNC who underwent standard pre-contrast and multiphase contrast-enhanced dual-energy spectral CT imaging were retrospectively identified. The parapelvic cyst and HNC were identified using the contrast-enhanced scans, and their CT number in the 70-keV monochromatic images, effective atomic number (Zeff), iodine concentration (IC) and water concentration in the pre-contrast images were measured. The slope of the spectral curve (λ) was calculated. The difference in the measurements between parapelvic cyst and HNC was statistically analyzed using SPSS® v. 19.0 (IBM Corp., New York, NY; formerly SPSS Inc., Chicago, IL) statistical software. Receiver-operating characteristic analysis was performed to assess the diagnostic performance. Results: The CT numbers in the 70-keV images, Zeff and IC values were statistically different between parapelvic cyst and HNC (all p < 0.05). The sensitivity, specificity and accuracy of these parameters for distinguishing between parapelvic cyst and HNC were 89.2%, 73.3% and 82.1%; 86.5%, 43.3% and 67.2%; 91.9%, 40.0% and 68.7%; and 64.9%, 73.3% and 83.6%, respectively, and the combined specificity was 92.9%. There was no statistical difference in λ between the two groups (p > 0.05). Conclusion: The quantitative parameters obtained in the pre-contrast dual-energy spectral CT imaging may be used to differentiate between parapelvic cyst and HNC. Advances in knowledge: The pre-contrast dual-energy spectral CT scans may be used to screen parapelvic cysts for patients who are asymptomatic, thereby avoiding contrast-enhanced CT or CT urography examination for these patients to reduce ionizing radiation dose and contrast dose. PMID:28281789

A Novel HPLC Method for the Concurrent Analysis and Quantitation of Seven Water-Soluble Vitamins in Biological Fluids (Plasma and Urine): A Validation Study and Application

PubMed Central

Grotzkyj Giorgi, Margherita; Howland, Kevin; Martin, Colin; Bonner, Adrian B.

2012-01-01

An HPLC method was developed and validated for the concurrent detection and quantitation of seven water-soluble vitamins (C, B1, B2, B5, B6, B9, B12) in biological matrices (plasma and urine). Separation was achieved at 30°C on a reversed-phase C18-A column using combined isocratic and linear gradient elution with a mobile phase consisting of 0.01% TFA aqueous and 100% methanol. Total run time was 35 minutes. Detection was performed with diode array set at 280 nm. Each vitamin was quantitatively determined at its maximum wavelength. Spectral comparison was used for peak identification in real samples (24 plasma and urine samples from abstinent alcohol-dependent males). Interday and intraday precision were <4% and <7%, respectively, for all vitamins. Recovery percentages ranged from 93% to 100%. PMID:22536136

Application of remote sensing to monitoring and studying dispersion in ocean dumping

NASA Technical Reports Server (NTRS)

Johnson, R. W.; Ohlhorst, C. W.

1981-01-01

Remotely sensed wide area synoptic data provides information on ocean dumping that is not readily available by other means. A qualitative approach has been used to map features, such as river plumes. Results of quantitative analyses have been used to develop maps showing quantitative distributions of one or more water quality parameters, such as suspended solids or chlorophyll a. Joint NASA/NOAA experiments have been conducted at designated dump areas in the U.S. coastal zones to determine the applicability of aircraft remote sensing systems to map plumes resulting from ocean dumping of sewage sludge and industrial wastes. A second objective is related to the evaluation of previously developed quantitative analysis techniques for studying dispersion of materials in these plumes. It was found that plumes resulting from dumping of four waste materials have distinctive spectral characteristics. The development of a technology for use in a routine monitoring system, based on remote sensing techniques, is discussed.

Quantitative determination of Auramine O by terahertz spectroscopy with 2DCOS-PLSR model

NASA Astrophysics Data System (ADS)

Zhang, Huo; Li, Zhi; Chen, Tao; Qin, Binyi

2017-09-01

Residues of harmful dyes such as Auramine O (AO) in herb and food products threaten the health of people. So, fast and sensitive detection techniques of the residues are needed. As a powerful tool for substance detection, terahertz (THz) spectroscopy was used for the quantitative determination of AO by combining with an improved partial least-squares regression (PLSR) model in this paper. Absorbance of herbal samples with different concentrations was obtained by THz-TDS in the band between 0.2THz and 1.6THz. We applied two-dimensional correlation spectroscopy (2DCOS) to improve the PLSR model. This method highlighted the spectral differences of different concentrations, provided a clear criterion of the input interval selection, and improved the accuracy of detection result. The experimental result indicated that the combination of the THz spectroscopy and 2DCOS-PLSR is an excellent quantitative analysis method.

A novel HPLC method for the concurrent analysis and quantitation of seven water-soluble vitamins in biological fluids (plasma and urine): a validation study and application.

PubMed

Giorgi, Margherita Grotzkyj; Howland, Kevin; Martin, Colin; Bonner, Adrian B

2012-01-01

An HPLC method was developed and validated for the concurrent detection and quantitation of seven water-soluble vitamins (C, B(1), B(2), B(5), B(6), B(9), B(12)) in biological matrices (plasma and urine). Separation was achieved at 30°C on a reversed-phase C18-A column using combined isocratic and linear gradient elution with a mobile phase consisting of 0.01% TFA aqueous and 100% methanol. Total run time was 35 minutes. Detection was performed with diode array set at 280 nm. Each vitamin was quantitatively determined at its maximum wavelength. Spectral comparison was used for peak identification in real samples (24 plasma and urine samples from abstinent alcohol-dependent males). Interday and intraday precision were <4% and <7%, respectively, for all vitamins. Recovery percentages ranged from 93% to 100%.

A novel image-based quantitative method for the characterization of NETosis

PubMed Central

Zhao, Wenpu; Fogg, Darin K.; Kaplan, Mariana J.

2015-01-01

NETosis is a newly recognized mechanism of programmed neutrophil death. It is characterized by a stepwise progression of chromatin decondensation, membrane rupture, and release of bactericidal DNA-based structures called neutrophil extracellular traps (NETs). Conventional ‘suicidal’ NETosis has been described in pathogenic models of systemic autoimmune disorders. Recent in vivo studies suggest that a process of ‘vital’ NETosis also exists, in which chromatin is condensed and membrane integrity is preserved. Techniques to assess ‘suicidal’ or ‘vital’ NET formation in a specific, quantitative, rapid and semiautomated way have been lacking, hindering the characterization of this process. Here we have developed a new method to simultaneously assess both ‘suicidal’ and ‘vital’ NETosis, using high-speed multi-spectral imaging coupled to morphometric image analysis, to quantify spontaneous NET formation observed ex-vivo or stimulus-induced NET formation triggered in vitro. Use of imaging flow cytometry allows automated, quantitative and rapid analysis of subcellular morphology and texture, and introduces the potential for further investigation using NETosis as a biomarker in pre-clinical and clinical studies. PMID:26003624

A hyperspectral imaging system for the evaluation of the human iris spectral reflectance

NASA Astrophysics Data System (ADS)

Di Cecilia, Luca; Marazzi, Francesco; Rovati, Luigi

2017-02-01

According to previous studies, the measurement of the human iris pigmentation can be exploited to detect certain eye pathological conditions in their early stage. In this paper, we propose an instrument and a method to perform hyperspectral quantitative measurements of the iris spectral reflectance. The system is based on a simple imaging setup, which includes a monochrome camera mounted on a standard ophthalmic microscope movement controller, a monochromator, and a flashing LED-based slit lamp. To assure quantitative measurements, the system is properly calibrated against a NIST reflectance standard. Iris reflectance images can be obtained in the spectral range 495-795 nm with a resolution of 25 nm. Each image consists of 1280 x 1024 pixels having a spatial resolution of 18 μm. Reflectance spectra can be calculated both from discrete areas of the iris and as the average of the whole iris surface. Preliminary results suggest that hyperspectral imaging of the iris can provide much more morphological and spectral information with respect to conventional qualitative colorimetric methods.

Quantitative Analysis of Ca, Mg, and K in the Roots of Angelica pubescens f. biserrata by Laser-Induced Breakdown Spectroscopy Combined with Artificial Neural Networks

NASA Astrophysics Data System (ADS)

Wang, J.; Shi, M.; Zheng, P.; Xue, Sh.; Peng, R.

2018-03-01

Laser-induced breakdown spectroscopy has been applied for the quantitative analysis of Ca, Mg, and K in the roots of Angelica pubescens Maxim. f. biserrata Shan et Yuan used in traditional Chinese medicine. Ca II 317.993 nm, Mg I 517.268 nm, and K I 769.896 nm spectral lines have been chosen to set up calibration models for the analysis using the external standard and artificial neural network methods. The linear correlation coefficients of the predicted concentrations versus the standard concentrations of six samples determined by the artificial neural network method are 0.9896, 0.9945, and 0.9911 for Ca, Mg, and K, respectively, which are better than for the external standard method. The artificial neural network method also gives better performance comparing with the external standard method for the average and maximum relative errors, average relative standard deviations, and most maximum relative standard deviations of the predicted concentrations of Ca, Mg, and K in the six samples. Finally, it is proved that the artificial neural network method gives better performance compared to the external standard method for the quantitative analysis of Ca, Mg, and K in the roots of Angelica pubescens.

Quantification of fibre polymerization through Fourier space image analysis

PubMed Central

Nekouzadeh, Ali; Genin, Guy M.

2011-01-01

Quantification of changes in the total length of randomly oriented and possibly curved lines appearing in an image is a necessity in a wide variety of biological applications. Here, we present an automated approach based upon Fourier space analysis. Scaled, band-pass filtered power spectral densities of greyscale images are integrated to provide a quantitative measurement of the total length of lines of a particular range of thicknesses appearing in an image. A procedure is presented to correct for changes in image intensity. The method is most accurate for two-dimensional processes with fibres that do not occlude one another. PMID:24959096

NBSGSC - a FORTRAN program for quantitative x-ray fluorescence analysis. Technical note (final)

DOE Office of Scientific and Technical Information (OSTI.GOV)

Tao, G.Y.; Pella, P.A.; Rousseau, R.M.

1985-04-01

A FORTRAN program (NBSGSC) was developed for performing quantitative analysis of bulk specimens by x-ray fluorescence spectrometry. This program corrects for x-ray absorption/enhancement phenomena using the comprehensive alpha coefficient algorithm proposed by Lachance (COLA). NBSGSC is a revision of the program ALPHA and CARECAL originally developed by R.M. Rousseau of the Geological Survey of Canada. Part one of the program (CALCO) performs the calculation of theoretical alpha coefficients, and part two (CALCOMP) computes the composition of the analyte specimens. The analysis of alloys, pressed minerals, and fused specimens can currently be treated by the program. In addition to using measuredmore » x-ray tube spectral distributions, spectra from seven commonly used x-ray tube targets could also be calculated with an NBS algorithm included in the program. NBSGSC is written in FORTRAN IV for a Digital Equipment Corporation (DEC PDP-11/23) minicomputer using RLO2 firm disks and an RSX 11M operating system.« less

Hyperspectral Imaging and SPA-LDA Quantitative Analysis for Detection of Colon Cancer Tissue

NASA Astrophysics Data System (ADS)

Yuan, X.; Zhang, D.; Wang, Ch.; Dai, B.; Zhao, M.; Li, B.

2018-05-01

Hyperspectral imaging (HSI) has been demonstrated to provide a rapid, precise, and noninvasive method for cancer detection. However, because HSI contains many data, quantitative analysis is often necessary to distill information useful for distinguishing cancerous from normal tissue. To demonstrate that HSI with our proposed algorithm can make this distinction, we built a Vis-NIR HSI setup and made many spectral images of colon tissues, and then used a successive projection algorithm (SPA) to analyze the hyperspectral image data of the tissues. This was used to build an identification model based on linear discrimination analysis (LDA) using the relative reflectance values of the effective wavelengths. Other tissues were used as a prediction set to verify the reliability of the identification model. The results suggest that Vis-NIR hyperspectral images, together with the spectroscopic classification method, provide a new approach for reliable and safe diagnosis of colon cancer and could lead to advances in cancer diagnosis generally.

Potential of far-ultraviolet absorption spectroscopy as a highly sensitive qualitative and quantitative analysis method for polymer films, part I: classification of commercial food wrap films.

PubMed

Sato, Harumi; Higashi, Noboru; Ikehata, Akifumi; Koide, Noriko; Ozaki, Yukihiro

2007-07-01

The aim of the present study is to propose a totally new technique for the utilization of far-ultraviolet (UV) spectroscopy in polymer thin film analysis. Far-UV spectra in the 120-300 nm region have been measured in situ for six kinds of commercial polymer wrap films by use of a novel type of far-UV spectrometer that does not need vacuum evaporation. These films can be straightforwardly classified into three groups, polyethylene (PE) films, polyvinyl chloride (PVC) films, and polyvinylidene chloride (PVDC) films, by using the raw spectra. The differences in the wavelength of the absorption band due to the sigma-sigma* transition of the C-C bond have been used for the classification of the six kinds of films. Using this method, it was easy to distinguish the three kinds of PE films and to separate the two kinds of PVDC films. Compared with other spectroscopic methods, the advantages of this technique include nondestructive analysis, easy spectral measurement, high sensitivity, and simple spectral analysis. The present study has demonstrated that far-UV spectroscopy is a very promising technique for polymer film analysis.

Spectral electroencephalogram in liver cirrhosis with minimal hepatic encephalopathy before and after lactulose therapy.

PubMed

Singh, Jatinderpal; Sharma, Barjesh Chander; Maharshi, Sudhir; Puri, Vinod; Srivastava, Siddharth

2016-06-01

Minimal hepatic encephalopathy (MHE) represents the mildest form of hepatic encephalopathy. Spectral electroencephalogram (sEEG) analysis improves the recognition of MHE by decreasing inter-operator variability and providing quantitative parameters of brain dysfunction. We compared sEEG in patients with cirrhosis with and without MHE and the effects of lactulose on sEEG in patients with MHE. One hundred patients with cirrhosis (50 with and 50 without MHE) were enrolled. Diagnosis of MHE was based on psychometric hepatic encephalopathy score (PHES) of ≤ -5. Critical flicker frequency, model of end-stage liver disease score, and sEEG were performed at baseline in all patients. The spectral variables considered were the mean dominant frequency (MDF) and relative power in beta, alpha, theta, and delta bands. Patients with MHE were given 3 months of lactulose, and all parameters were repeated. Spectral electroencephalogram analysis showed lower MDF (7.8 ± 1.7 vs 8.7 ± 1.3 Hz, P < 0.05) and higher theta relative power (34.29 ± 4.8 vs 24 ± 6.7%, P = 001) while lower alpha relative power (28.6 ± 4.0 vs 33.5 ± 5.3%, P = .001) in patients with MHE than in patients without MHE. With theta relative power, sensitivity 96%, specificity 84%, and accuracy of 90% were obtained for diagnosis of MHE. After lactulose treatment, MHE improved in 21 patients, and significant changes were seen in MDF (7.8 ± 0.5 vs 8.5 ± 0.6), theta (34.2 ± 4.8 vs 23.3 ± 4.1%), alpha (28.6 ± 4.0 vs 35.5 ± 4.5%), and delta relative power (13.7 ± 3.5 vs 17.0 ± 3.3%) after treatment (P ≤ 0.05). Spectral EEG is a useful objective and quantitative tool for diagnosis and to assess the response to treatment in patients with cirrhosis with MHE. © 2015 Journal of Gastroenterology and Hepatology Foundation and John Wiley & Sons Australia, Ltd.

Calibration methods influence quantitative material decomposition in photon-counting spectral CT

NASA Astrophysics Data System (ADS)

Curtis, Tyler E.; Roeder, Ryan K.

2017-03-01

Photon-counting detectors and nanoparticle contrast agents can potentially enable molecular imaging and material decomposition in computed tomography (CT). Material decomposition has been investigated using both simulated and acquired data sets. However, the effect of calibration methods on material decomposition has not been systematically investigated. Therefore, the objective of this study was to investigate the influence of the range and number of contrast agent concentrations within a modular calibration phantom on quantitative material decomposition. A commerciallyavailable photon-counting spectral micro-CT (MARS Bioimaging) was used to acquire images with five energy bins selected to normalize photon counts and leverage the contrast agent k-edge. Material basis matrix values were determined using multiple linear regression models and material decomposition was performed using a maximum a posteriori estimator. The accuracy of quantitative material decomposition was evaluated by the root mean squared error (RMSE), specificity, sensitivity, and area under the curve (AUC). An increased maximum concentration (range) in the calibration significantly improved RMSE, specificity and AUC. The effects of an increased number of concentrations in the calibration were not statistically significant for the conditions in this study. The overall results demonstrated that the accuracy of quantitative material decomposition in spectral CT is significantly influenced by calibration methods, which must therefore be carefully considered for the intended diagnostic imaging application.

Rigorous quantitative elemental microanalysis by scanning electron microscopy/energy dispersive x-ray spectrometry (SEM/EDS) with spectrum processing by NIST DTSA-II

NASA Astrophysics Data System (ADS)

Newbury, Dale E.; Ritchie, Nicholas W. M.

2014-09-01

Quantitative electron-excited x-ray microanalysis by scanning electron microscopy/silicon drift detector energy dispersive x-ray spectrometry (SEM/SDD-EDS) is capable of achieving high accuracy and high precision equivalent to that of the high spectral resolution wavelength dispersive x-ray spectrometer even when severe peak interference occurs. The throughput of the SDD-EDS enables high count spectra to be measured that are stable in calibration and resolution (peak shape) across the full deadtime range. With this high spectral stability, multiple linear least squares peak fitting is successful for separating overlapping peaks and spectral background. Careful specimen preparation is necessary to remove topography on unknowns and standards. The standards-based matrix correction procedure embedded in the NIST DTSA-II software engine returns quantitative results supported by a complete error budget, including estimates of the uncertainties from measurement statistics and from the physical basis of the matrix corrections. NIST DTSA-II is available free for Java-platforms at: http://www.cstl.nist.gov/div837/837.02/epq/dtsa2/index.html).

Quantitative imaging of single-shot liquid distributions in sprays using broadband flash x-ray radiography

DOE Office of Scientific and Technical Information (OSTI.GOV)

Halls, B. R.; Roy, S.; Gord, J. R.

Flash x-ray radiography is used to capture quantitative, two-dimensional line-of-sight averaged, single-shot liquid distribution measurements in impinging jet sprays. The accuracy of utilizing broadband x-ray radiation from compact flash tube sources is investigated for a range of conditions by comparing the data with radiographic high-speed measurements from a narrowband, high-intensity synchrotron x-ray facility at the Advanced Photon Source (APS) of Argonne National Laboratory. The path length of the liquid jets is varied to evaluate the effects of energy dependent x-ray attenuation, also known as spectral beam hardening. The spatial liquid distributions from flash x-ray and synchrotron-based radiography are compared, alongmore » with spectral characteristics using Taylor’s hypothesis. The results indicate that quantitative, single-shot imaging of liquid distributions can be achieved using broadband x-ray sources with nanosecond temporal resolution. Practical considerations for optimizing the imaging system performance are discussed, including the coupled effects of x-ray bandwidth, contrast, sensitivity, spatial resolution, temporal resolution, and spectral beam hardening.« less

Spectroscopic database

NASA Technical Reports Server (NTRS)

Husson, N.; Barbe, A.; Brown, L. R.; Carli, B.; Goldman, A.; Pickett, H. M.; Roche, A. E.; Rothman, L. S.; Smith, M. A. H.

1985-01-01

Several aspects of quantitative atmospheric spectroscopy are considered, using a classification of the molecules according to the gas amounts in the stratosphere and upper troposphere, and reviews of quantitative atmospheric high-resolution spectroscopic measurements and field measurements systems are given. Laboratory spectroscopy and spectral analysis and prediction are presented with a summary of current laboratory spectroscopy capabilities. Spectroscopic data requirements for accurate derivation of atmospheric composition are discussed, where examples are given for space-based remote sensing experiments of the atmosphere: the ATMOS (Atmospheric Trace Molecule) and UARS (Upper Atmosphere Research Satellite) experiment. A review of the basic parameters involved in the data compilations; a summary of information on line parameter compilations already in existence; and a summary of current laboratory spectroscopy studies are used to assess the data base.

Towards a non-invasive quantitative analysis of the organic components in museum objects varnishes by vibrational spectroscopies: methodological approach.

PubMed

Daher, Céline; Pimenta, Vanessa; Bellot-Gurlet, Ludovic

2014-11-01

The compositions of ancient varnishes are mainly determined destructively by separation methods coupled to mass spectrometry. In this study, a methodology for non-invasive quantitative analyses of varnishes by vibrational spectroscopies is proposed. For that, experimental simplified varnishes of colophony and linseed oil were prepared according to 18th century traditional recipes with an increasing mass concentration ratio of colophony/linseed oil. FT-Raman and IR analyses using ATR and non-invasive reflectance modes were done on the "pure" materials and on the different mixtures. Then, a new approach involving spectral decomposition calculation was developed considering the mixture spectra as a linear combination of the pure materials ones, and giving a relative amount of each component. Specific spectral regions were treated and the obtained results show a good accuracy between the prepared and calculated amounts of the two compounds. We were thus able to detect and quantify from 10% to 50% of colophony in linseed oil using non-invasive techniques that can also be conducted in situ with portable instruments when it comes to museum varnished objects and artifacts. Copyright © 2014 Elsevier B.V. All rights reserved.

Bioimpedance Harmonic Analysis as a Diagnostic Tool to Assess Regional Circulation and Neural Activity

NASA Astrophysics Data System (ADS)

Mudraya, I. S.; Revenko, S. V.; Khodyreva, L. A.; Markosyan, T. G.; Dudareva, A. A.; Ibragimov, A. R.; Romich, V. V.; Kirpatovsky, V. I.

2013-04-01

The novel technique based on harmonic analysis of bioimpedance microvariations with original hard- and software complex incorporating a high-resolution impedance converter was used to assess the neural activity and circulation in human urinary bladder and penis in patients with pelvic pain, erectile dysfunction, and overactive bladder. The therapeutic effects of shock wave therapy and Botulinum toxin detrusor injections were evaluated quantitatively according to the spectral peaks at low 0.1 Hz frequency (M for Mayer wave), respiratory (R) and cardiac (C) rhythms with their harmonics. Enhanced baseline regional neural activity identified according to M and R peaks was found to be presumably sympathetic in pelvic pain patients, and parasympathetic - in patients with overactive bladder. Total pulsatile activity and pulsatile resonances found in the bladder as well as in the penile spectrum characterised regional circulation and vascular tone. The abnormal spectral parameters characteristic of the patients with genitourinary diseases shifted to the norm in the cases of efficient therapy. Bioimpedance harmonic analysis seems to be a potent tool to assess regional peculiarities of circulatory and autonomic nervous activity in the course of patient treatment.

Retrieving the hydrous minerals on Mars by sparse unmixing and the Hapke model using MRO/CRISM data

NASA Astrophysics Data System (ADS)

Lin, Honglei; Zhang, Xia

2017-05-01

The hydrous minerals on Mars preserve records of potential past aqueous activity. Quantitative information regarding mineralogical composition would enable a better understanding of the formation processes of these hydrous minerals, and provide unique insights into ancient habitable environments and the geological evolution of Mars. The Compact Reconnaissance Imaging Spectrometer for Mars (CRISM) has the advantage of both a high spatial and spectral resolution, which makes it suitable for the quantitative analysis of minerals on Mars. However, few studies have attempted to quantitatively retrieve the mineralogical composition of hydrous minerals on Mars using visible-infrared (VISIR) hyperspectral data due to their distribution characteristics (relatively low concentrations, located primarily in Noachian terrain, and unclear or unknown background minerals) and limitations of the spectral unmixing algorithms. In this study, we developed a modified sparse unmixing (MSU) method, combining the Hapke model with sparse unmixing. The MSU method considers the nonlinear mixed effects of minerals and avoids the difficulty of determining the spectra and number of endmembers from the image. The proposed method was tested successfully using laboratory mixture spectra and an Airborne Visible Infrared Imaging Spectrometer (AVIRIS) image of the Cuprite site (Nevada, USA). Then it was applied to CRISM hyperspectral images over Gale crater. Areas of hydrous mineral distribution were first identified by spectral features of water and hydroxyl absorption. The MSU method was performed on these areas, and the abundances were retrieved. The results indicated that the hydrous minerals consisted mostly of hydrous silicates, with abundances of up to 35%, as well as hydrous sulfates, with abundances ≤10%. Several main subclasses of hydrous minerals (e.g., Fe/Mg phyllosilicate, prehnite, and kieserite) were retrieved. Among these, Fe/Mg- phyllosilicate was the most abundant, with abundances ranging up to almost 30%, followed by prehnite and kieserite, with abundances lower than 15%. Our results are consistent with related research and in situ analyses of data from the rover Curiosity; thus, our method has the potential to be widely used for quantitative mineralogical mapping at the global scale of the surface of Mars.

Combined analysis of whole human blood parameters by Raman spectroscopy and spectral-domain low-coherence interferometry

NASA Astrophysics Data System (ADS)

Gnyba, M.; Wróbel, M. S.; Karpienko, K.; Milewska, D.; Jedrzejewska-Szczerska, M.

2015-07-01

In this article the simultaneous investigation of blood parameters by complementary optical methods, Raman spectroscopy and spectral-domain low-coherence interferometry, is presented. Thus, the mutual relationship between chemical and physical properties may be investigated, because low-coherence interferometry measures optical properties of the investigated object, while Raman spectroscopy gives information about its molecular composition. A series of in-vitro measurements were carried out to assess sufficient accuracy for monitoring of blood parameters. A vast number of blood samples with various hematological parameters, collected from different donors, were measured in order to achieve a statistical significance of results and validation of the methods. Preliminary results indicate the benefits in combination of presented complementary methods and form the basis for development of a multimodal system for rapid and accurate optical determination of selected parameters in whole human blood. Future development of optical systems and multivariate calibration models are planned to extend the number of detected blood parameters and provide a robust quantitative multi-component analysis.

Estimating maximum instantaneous distortion from inlet total pressure rms and PSD measurements. [Root Mean Square and Power Spectral Density methods

NASA Technical Reports Server (NTRS)

Melick, H. C., Jr.; Ybarra, A. H.; Bencze, D. P.

1975-01-01

An inexpensive method is developed to determine the extreme values of instantaneous inlet distortion. This method also provides insight into the basic mechanics of unsteady inlet flow and the associated engine reaction. The analysis is based on fundamental fluid dynamics and statistical methods to provide an understanding of the turbulent inlet flow and quantitatively relate the rms level and power spectral density (PSD) function of the measured time variant total pressure fluctuations to the strength and size of the low pressure regions. The most probable extreme value of the instantaneous distortion is then synthesized from this information in conjunction with the steady state distortion. Results of the analysis show the extreme values to be dependent upon the steady state distortion, the measured turbulence rms level and PSD function, the time on point, and the engine response characteristics. Analytical projections of instantaneous distortion are presented and compared with data obtained by a conventional, highly time correlated, 40 probe instantaneous pressure measurement system.

Spectral analysis of the binary nucleus of the planetary nebula Hen 2-428 - first results

NASA Astrophysics Data System (ADS)

Finch, Nicolle L.; Reindl, Nicole; Barstow, Martin A.; Casewell, Sarah L.; Geier, Stephan; Bertolami, Marcelo M. Miller; Taubenberger, Stefan

2018-04-01

Identifying progenitor systems for the double-degenerate scenario is crucial to check the reliability of type Ia supernovae as cosmological standard candles. Santander-Garcia et al. (2015) claimed that Hen 2-428 has a doubledegenerate core whose combined mass significantly exceeds the Chandrasekhar limit. Together with the short orbital period (4.2 hours), the authors concluded that the system should merge within a Hubble time triggering a type Ia supernova event. Garcia-Berro et al. (2016) explored alternative scenarios to explain the observational evidence, as the high mass conclusion is highly unlikely within predictions from stellar evolution theory. They conclude that the evidence supporting the supernova progenitor status of the system is premature. Here we present the first quantitative spectral analysis of Hen 2-428which allows us to derive the effective temperatures, surface gravities and helium abundance of the two CSPNe based on state-of-the-art, non-LTE model atmospheres. These results provide constrains for further studies of this particularly interesting system.

Chiral Analysis of Isopulegol by Fourier Transform Molecular Rotational Spectroscopy

NASA Astrophysics Data System (ADS)

Evangelisti, Luca; Seifert, Nathan A.; Spada, Lorenzo; Pate, Brooks

2016-06-01

Chiral analysis on molecules with multiple chiral centers can be performed using pulsed-jet Fourier transform rotational spectroscopy. This analysis includes quantitative measurement of diastereomer products and, with the three wave mixing methods developed by Patterson, Schnell, and Doyle (Nature 497, 475-477 (2013)), quantitative determination of the enantiomeric excess of each diastereomer. The high resolution features enable to perform the analysis directly on complex samples without the need for chromatographic separation. Isopulegol has been chosen to show the capabilities of Fourier transform rotational spectroscopy for chiral analysis. Broadband rotational spectroscopy produces spectra with signal-to-noise ratio exceeding 1000:1. The ability to identify low-abundance (0.1-1%) diastereomers in the sample will be described. Methods to rapidly identify rotational spectra from isotopologues at natural abundance will be shown and the molecular structures obtained from this analysis will be compared to theory. The role that quantum chemistry calculations play in identifying structural minima and estimating their spectroscopic properties to aid spectral analysis will be described. Finally, the implementation of three wave mixing techniques to measure the enantiomeric excess of each diastereomer and determine the absolute configuration of the enantiomer in excess will be described.

Dual function microscope for quantitative DIC and birefringence imaging

NASA Astrophysics Data System (ADS)

Li, Chengshuai; Zhu, Yizheng

2016-03-01

A spectral multiplexing interferometry (SXI) method is presented for integrated birefringence and phase gradient measurement on label-free biological specimens. With SXI, the retardation and orientation of sample birefringence are simultaneously encoded onto two separate spectral carrier waves, generated by a crystal retarder oriented at a specific angle. Thus sufficient information for birefringence determination can be obtained from a single interference spectrum, eliminating the need for multiple acquisitions with mechanical rotation or electrical modulation. In addition, with the insertion of a Nomarski prism, the setup can then acquire quantitative differential interference contrast images. Red blood cells infected by malaria parasites are imaged for birefringence retardation as well as phase gradient. The results demonstrate that the SXI approach can achieve both quantitative phase imaging and birefringence imaging with a single, high-sensitivity system.

Quantitative methods for compensation of matrix effects and self-absorption in Laser Induced Breakdown Spectroscopy signals of solids

NASA Astrophysics Data System (ADS)

Takahashi, Tomoko; Thornton, Blair

2017-12-01

This paper reviews methods to compensate for matrix effects and self-absorption during quantitative analysis of compositions of solids measured using Laser Induced Breakdown Spectroscopy (LIBS) and their applications to in-situ analysis. Methods to reduce matrix and self-absorption effects on calibration curves are first introduced. The conditions where calibration curves are applicable to quantification of compositions of solid samples and their limitations are discussed. While calibration-free LIBS (CF-LIBS), which corrects matrix effects theoretically based on the Boltzmann distribution law and Saha equation, has been applied in a number of studies, requirements need to be satisfied for the calculation of chemical compositions to be valid. Also, peaks of all elements contained in the target need to be detected, which is a bottleneck for in-situ analysis of unknown materials. Multivariate analysis techniques are gaining momentum in LIBS analysis. Among the available techniques, principal component regression (PCR) analysis and partial least squares (PLS) regression analysis, which can extract related information to compositions from all spectral data, are widely established methods and have been applied to various fields including in-situ applications in air and for planetary explorations. Artificial neural networks (ANNs), where non-linear effects can be modelled, have also been investigated as a quantitative method and their applications are introduced. The ability to make quantitative estimates based on LIBS signals is seen as a key element for the technique to gain wider acceptance as an analytical method, especially in in-situ applications. In order to accelerate this process, it is recommended that the accuracy should be described using common figures of merit which express the overall normalised accuracy, such as the normalised root mean square errors (NRMSEs), when comparing the accuracy obtained from different setups and analytical methods.

Temperature-dependent spectral linewidths of terahertz Bloch oscillations in biased semiconductor superlattices

NASA Astrophysics Data System (ADS)

Unuma, Takeya; Matsuda, Aleph

2018-04-01

We investigate temperature-dependent spectral linewidths of Bloch oscillations in biased semiconductor superlattices experimentally and theoretically. The spectral linewidth in a GaAs-based superlattice determined by terahertz emission spectroscopy becomes larger gradually as temperature increases from 80 to 320 K. This behavior can be quantitatively reproduced by a microscopic theory of the spectral linewidth that has been extended to treat the phonon scattering and interface roughness scattering of electrons on a Wannier-Stark ladder. A detailed comparison between the terahertz measurements and theoretical simulations reveals that the LO phonon absorption process governs the increase in the spectral linewidth with increasing temperature.

The influence of low frequency sound on the changes of EEG signal morphology

NASA Astrophysics Data System (ADS)

Damijan, Z.; Wiciak, J.

2006-11-01

The effects of low frequency sound on the changes of morphology of the spectral power density function of EEG signals were studied as a part of the research program f = 40 Hz, Lp = 110 dB HP. The research program involved 33 experiments. A quantitative analysis was conducted of the driving response effect for the fundamental frequency and its harmonics to find the frequency of the driving response effect occurrence depending on the sex of participants.

Evaluating hybrid bermudagrass using spectral reflectance under different mowing heights and trinexapac-ethyl applications

USDA-ARS?s Scientific Manuscript database

Quantitative spectral reflectance data has the potential to improve the evaluation of turfgrass variety trials when management practices are factors in the testing of turf aesthetics and functionality. However, the practical application of this methodology has not been well-developed. The objectives...

Direct and Quantitative Photothermal Absorption Spectroscopy of Individual Particulates

DTIC Science & Technology

2013-01-01

1(a). By taking the ratio of the spectral absorption efficiency of the microwire to the corresponding volumetri - cally equivalent thin film, an...of D¼ 983 nm. For further comparison, the theoretical spectral absorption efficiency for a volumetri - cally equivalent (t¼ 983p/4 nm) thin film, Qabs

[Exploring novel hyperspectral band and key index for leaf nitrogen accumulation in wheat].

PubMed

Yao, Xia; Zhu, Yan; Feng, Wei; Tian, Yong-Chao; Cao, Wei-Xing

2009-08-01

The objectives of the present study were to explore new sensitive spectral bands and ratio spectral indices based on precise analysis of ground-based hyperspectral information, and then develop regression model for estimating leaf N accumulation per unit soil area (LNA) in winter wheat (Triticum aestivum L.). Three field experiments were conducted with different N rates and cultivar types in three consecutive growing seasons, and time-course measurements were taken on canopy hyperspectral reflectance and LNA tinder the various treatments. By adopting the method of reduced precise sampling, the detailed ratio spectral indices (RSI) within the range of 350-2 500 nm were constructed, and the quantitative relationships between LNA (gN m(-2)) and RSI (i, j) were analyzed. It was found that several key spectral bands and spectral indices were suitable for estimating LNA in wheat, and the spectral parameter RSI (990, 720) was the most reliable indicator for LNA in wheat. The regression model based on the best RSI was formulated as y = 5.095x - 6.040, with R2 of 0.814. From testing of the derived equations with independent experiment data, the model on RSI (990, 720) had R2 of 0.847 and RRMSE of 24.7%. Thus, it is concluded that the present hyperspectral parameter of RSI (990, 720) and derived regression model can be reliably used for estimating LNA in winter wheat. These results provide the feasible key bands and technical basis for developing the portable instrument of monitoring wheat nitrogen status and for extracting useful spectral information from remote sensing images.

Effects of calibration methods on quantitative material decomposition in photon-counting spectral computed tomography using a maximum a posteriori estimator.

PubMed

Curtis, Tyler E; Roeder, Ryan K

2017-10-01

Advances in photon-counting detectors have enabled quantitative material decomposition using multi-energy or spectral computed tomography (CT). Supervised methods for material decomposition utilize an estimated attenuation for each material of interest at each photon energy level, which must be calibrated based upon calculated or measured values for known compositions. Measurements using a calibration phantom can advantageously account for system-specific noise, but the effect of calibration methods on the material basis matrix and subsequent quantitative material decomposition has not been experimentally investigated. Therefore, the objective of this study was to investigate the influence of the range and number of contrast agent concentrations within a modular calibration phantom on the accuracy of quantitative material decomposition in the image domain. Gadolinium was chosen as a model contrast agent in imaging phantoms, which also contained bone tissue and water as negative controls. The maximum gadolinium concentration (30, 60, and 90 mM) and total number of concentrations (2, 4, and 7) were independently varied to systematically investigate effects of the material basis matrix and scaling factor calibration on the quantitative (root mean squared error, RMSE) and spatial (sensitivity and specificity) accuracy of material decomposition. Images of calibration and sample phantoms were acquired using a commercially available photon-counting spectral micro-CT system with five energy bins selected to normalize photon counts and leverage the contrast agent k-edge. Material decomposition of gadolinium, calcium, and water was performed for each calibration method using a maximum a posteriori estimator. Both the quantitative and spatial accuracy of material decomposition were most improved by using an increased maximum gadolinium concentration (range) in the basis matrix calibration; the effects of using a greater number of concentrations were relatively small in magnitude by comparison. The material basis matrix calibration was more sensitive to changes in the calibration methods than the scaling factor calibration. The material basis matrix calibration significantly influenced both the quantitative and spatial accuracy of material decomposition, while the scaling factor calibration influenced quantitative but not spatial accuracy. Importantly, the median RMSE of material decomposition was as low as ~1.5 mM (~0.24 mg/mL gadolinium), which was similar in magnitude to that measured by optical spectroscopy on the same samples. The accuracy of quantitative material decomposition in photon-counting spectral CT was significantly influenced by calibration methods which must therefore be carefully considered for the intended diagnostic imaging application. © 2017 American Association of Physicists in Medicine.

Quantitative Multispectral Analysis Of Discrete Subcellular Particles By Digital Imaging Fluorescence Microscopy (DIFM)

NASA Astrophysics Data System (ADS)

Dorey, C. K.; Ebenstein, David B.

1988-10-01

Subcellular localization of multiple biochemical markers is readily achieved through their characteristic autofluorescence or through use of appropriately labelled antibodies. Recent development of specific probes has permitted elegant studies in calcium and pH in living cells. However, each of these methods measured fluorescence at one wavelength; precise quantitation of multiple fluorophores at individual sites within a cell has not been possible. Using DIFM, we have achieved spectral analysis of discrete subcellular particles 1-2 gm in diameter. The fluorescence emission is broken into narrow bands by an interference monochromator and visualized through the combined use of a silicon intensified target (SIT) camera, a microcomputer based framegrabber with 8 bit resolution, and a color video monitor. Image acquisition, processing, analysis and display are under software control. The digitized image can be corrected for the spectral distortions induced by the wavelength dependent sensitivity of the camera, and the displayed image can be enhanced or presented in pseudocolor to facilitate discrimination of variation in pixel intensity of individual particles. For rapid comparison of the fluorophore composition of granules, a ratio image is produced by dividing the image captured at one wavelength by that captured at another. In the resultant ratio image, a granule which has a fluorophore composition different from the majority is selectively colored. This powerful system has been utilized to obtain spectra of endogenous autofluorescent compounds in discrete cellular organelles of human retinal pigment epithelium, and to measure immunohistochemically labelled components of the extracellular matrix associated with the human optic nerve.

PolarBRDF: A general purpose Python package for visualization and quantitative analysis of multi-angular remote sensing measurements

NASA Astrophysics Data System (ADS)

Singh, Manoj K.; Gautam, Ritesh; Gatebe, Charles K.; Poudyal, Rajesh

2016-11-01

The Bidirectional Reflectance Distribution Function (BRDF) is a fundamental concept for characterizing the reflectance property of a surface, and helps in the analysis of remote sensing data from satellite, airborne and surface platforms. Multi-angular remote sensing measurements are required for the development and evaluation of BRDF models for improved characterization of surface properties. However, multi-angular data and the associated BRDF models are typically multidimensional involving multi-angular and multi-wavelength information. Effective visualization of such complex multidimensional measurements for different wavelength combinations is presently somewhat lacking in the literature, and could serve as a potentially useful research and teaching tool in aiding both interpretation and analysis of BRDF measurements. This article describes a newly developed software package in Python (PolarBRDF) to help visualize and analyze multi-angular data in polar and False Color Composite (FCC) forms. PolarBRDF also includes functionalities for computing important multi-angular reflectance/albedo parameters including spectral albedo, principal plane reflectance and spectral reflectance slope. Application of PolarBRDF is demonstrated using various case studies obtained from airborne multi-angular remote sensing measurements using NASA's Cloud Absorption Radiometer (CAR). Our visualization program also provides functionalities for untangling complex surface/atmosphere features embedded in pixel-based remote sensing measurements, such as the FCC imagery generation of BRDF measurements of grasslands in the presence of wildfire smoke and clouds. Furthermore, PolarBRDF also provides quantitative information of the angular distribution of scattered surface/atmosphere radiation, in the form of relevant BRDF variables such as sunglint, hotspot and scattering statistics.

PolarBRDF: A general purpose Python package for visualization and quantitative analysis of multi-angular remote sensing measurements

NASA Astrophysics Data System (ADS)

Poudyal, R.; Singh, M.; Gautam, R.; Gatebe, C. K.

2016-12-01

The Bidirectional Reflectance Distribution Function (BRDF) is a fundamental concept for characterizing the reflectance property of a surface, and helps in the analysis of remote sensing data from satellite, airborne and surface platforms. Multi-angular remote sensing measurements are required for the development and evaluation of BRDF models for improved characterization of surface properties. However, multi-angular data and the associated BRDF models are typically multidimensional involving multi-angular and multi-wavelength information. Effective visualization of such complex multidimensional measurements for different wavelength combinations is presently somewhat lacking in the literature, and could serve as a potentially useful research and teaching tool in aiding both interpretation and analysis of BRDF measurements. This article describes a newly developed software package in Python (PolarBRDF) to help visualize and analyze multi-angular data in polar and False Color Composite (FCC) forms. PolarBRDF also includes functionalities for computing important multi-angular reflectance/albedo parameters including spectral albedo, principal plane reflectance and spectral reflectance slope. Application of PolarBRDF is demonstrated using various case studies obtained from airborne multi-angular remote sensing measurements using NASA's Cloud Absorption Radiometer (CAR)- http://car.gsfc.nasa.gov/. Our visualization program also provides functionalities for untangling complex surface/atmosphere features embedded in pixel-based remote sensing measurements, such as the FCC imagery generation of BRDF measurements of grasslands in the presence of wildfire smoke and clouds. Furthermore, PolarBRDF also provides quantitative information of the angular distribution of scattered surface/atmosphere radiation, in the form of relevant BRDF variables such as sunglint, hotspot and scattering statistics.

Classification and quantification analysis of peach kernel from different origins with near-infrared diffuse reflection spectroscopy

PubMed Central

Liu, Wei; Wang, Zhen-Zhong; Qing, Jian-Ping; Li, Hong-Juan; Xiao, Wei

2014-01-01

Background: Peach kernels which contain kinds of fatty acids play an important role in the regulation of a variety of physiological and biological functions. Objective: To establish an innovative and rapid diffuse reflectance near-infrared spectroscopy (DR-NIR) analysis method along with chemometric techniques for the qualitative and quantitative determination of a peach kernel. Materials and Methods: Peach kernel samples from nine different origins were analyzed with high-performance liquid chromatography (HPLC) as a reference method. DR-NIR is in the spectral range 1100-2300 nm. Principal component analysis (PCA) and partial least squares regression (PLSR) algorithm were applied to obtain prediction models, The Savitzky-Golay derivative and first derivative were adopted for the spectral pre-processing, PCA was applied to classify the varieties of those samples. For the quantitative calibration, the models of linoleic and oleinic acids were established with the PLSR algorithm and the optimal principal component (PC) numbers were selected with leave-one-out (LOO) cross-validation. The established models were evaluated with the root mean square error of deviation (RMSED) and corresponding correlation coefficients (R2). Results: The PCA results of DR-NIR spectra yield clear classification of the two varieties of peach kernel. PLSR had a better predictive ability. The correlation coefficients of the two calibration models were above 0.99, and the RMSED of linoleic and oleinic acids were 1.266% and 1.412%, respectively. Conclusion: The DR-NIR combined with PCA and PLSR algorithm could be used efficiently to identify and quantify peach kernels and also help to solve variety problem. PMID:25422544

Polarbrdf: A General Purpose Python Package for Visualization Quantitative Analysis of Multi-Angular Remote Sensing Measurements

NASA Technical Reports Server (NTRS)

Singh, Manoj K.; Gautam, Ritesh; Gatebe, Charles K.; Poudyal, Rajesh

2016-01-01

The Bidirectional Reflectance Distribution Function (BRDF) is a fundamental concept for characterizing the reflectance property of a surface, and helps in the analysis of remote sensing data from satellite, airborne and surface platforms. Multi-angular remote sensing measurements are required for the development and evaluation of BRDF models for improved characterization of surface properties. However, multi-angular data and the associated BRDF models are typically multidimensional involving multi-angular and multi-wavelength information. Effective visualization of such complex multidimensional measurements for different wavelength combinations is presently somewhat lacking in the literature, and could serve as a potentially useful research and teaching tool in aiding both interpretation and analysis of BRDF measurements. This article describes a newly developed software package in Python (PolarBRDF) to help visualize and analyze multi-angular data in polar and False Color Composite (FCC) forms. PolarBRDF also includes functionalities for computing important multi-angular reflectance/albedo parameters including spectral albedo, principal plane reflectance and spectral reflectance slope. Application of PolarBRDF is demonstrated using various case studies obtained from airborne multi-angular remote sensing measurements using NASA's Cloud Absorption Radiometer (CAR). Our visualization program also provides functionalities for untangling complex surface/atmosphere features embedded in pixel-based remote sensing measurements, such as the FCC imagery generation of BRDF measurements of grasslands in the presence of wild fire smoke and clouds. Furthermore, PolarBRDF also provides quantitative information of the angular distribution of scattered surface/atmosphere radiation, in the form of relevant BRDF variables such as sunglint, hotspot and scattering statistics.

Chemometric Methods to Quantify 1D and 2D NMR Spectral Differences Among Similar Protein Therapeutics.

PubMed

Chen, Kang; Park, Junyong; Li, Feng; Patil, Sharadrao M; Keire, David A

2018-04-01

NMR spectroscopy is an emerging analytical tool for measuring complex drug product qualities, e.g., protein higher order structure (HOS) or heparin chemical composition. Most drug NMR spectra have been visually analyzed; however, NMR spectra are inherently quantitative and multivariate and thus suitable for chemometric analysis. Therefore, quantitative measurements derived from chemometric comparisons between spectra could be a key step in establishing acceptance criteria for a new generic drug or a new batch after manufacture change. To measure the capability of chemometric methods to differentiate comparator NMR spectra, we calculated inter-spectra difference metrics on 1D/2D spectra of two insulin drugs, Humulin R® and Novolin R®, from different manufacturers. Both insulin drugs have an identical drug substance but differ in formulation. Chemometric methods (i.e., principal component analysis (PCA), 3-way Tucker3 or graph invariant (GI)) were performed to calculate Mahalanobis distance (D M ) between the two brands (inter-brand) and distance ratio (D R ) among the different lots (intra-brand). The PCA on 1D inter-brand spectral comparison yielded a D M value of 213. In comparing 2D spectra, the Tucker3 analysis yielded the highest differentiability value (D M  = 305) in the comparisons made followed by PCA (D M  = 255) then the GI method (D M  = 40). In conclusion, drug quality comparisons among different lots might benefit from PCA on 1D spectra for rapidly comparing many samples, while higher resolution but more time-consuming 2D-NMR-data-based comparisons using Tucker3 analysis or PCA provide a greater level of assurance for drug structural similarity evaluation between drug brands.

Unified treatment and measurement of the spectral resolution and temporal effects in frequency-resolved sum-frequency generation vibrational spectroscopy (SFG-VS).

PubMed

Velarde, Luis; Wang, Hong-Fei

2013-12-14

The lack of understanding of the temporal effects and the restricted ability to control experimental conditions in order to obtain intrinsic spectral lineshapes in surface sum-frequency generation vibrational spectroscopy (SFG-VS) have limited its applications in surface and interfacial studies. The emergence of high-resolution broadband sum-frequency generation vibrational spectroscopy (HR-BB-SFG-VS) with sub-wavenumber resolution [Velarde et al., J. Chem. Phys., 2011, 135, 241102] offers new opportunities for obtaining and understanding the spectral lineshapes and temporal effects in SFG-VS. Particularly, the high accuracy of the HR-BB-SFG-VS experimental lineshape provides detailed information on the complex coherent vibrational dynamics through direct spectral measurements. Here we present a unified formalism for the theoretical and experimental routes for obtaining an accurate lineshape of the SFG response. Then, we present a detailed analysis of a cholesterol monolayer at the air/water interface with higher and lower resolution SFG spectra along with their temporal response. With higher spectral resolution and accurate vibrational spectral lineshapes, it is shown that the parameters of the experimental SFG spectra can be used both to understand and to quantitatively reproduce the temporal effects in lower resolution SFG measurements. This perspective provides not only a unified picture but also a novel experimental approach to measuring and understanding the frequency-domain and time-domain SFG response of a complex molecular interface.

Detection of propofol concentrations in blood by Raman spectroscopy

NASA Astrophysics Data System (ADS)

Wróbel, M. S.; Gnyba, M.; UrniaŻ, R.; Myllylä, T. S.; Jedrzejewska-Szczerska, M.

2015-07-01

In this paper we present a proof-of-concept of a Raman spectroscopy-based approach for measuring the content of propofol, a common anesthesia drug, in whole human blood, and plasma, which is intended for use during clinical procedures. This method utilizes the Raman spectroscopy as a chemically-sensitive method for qualitative detection of the presence of a drug and a quantitative determination of its concentration. A number of samples from different patients with added various concentrations of propofol IV solution were measured. This is most equivalent to a real in-vivo situation. Subsequent analysis of a set of spectra was carried out to extract qualitative and quantitative information. We conclude, that the changes in the spectra of blood with propofol, overlap with the most prominent lines of the propofol solution, especially at spectral regions: 1450 cm-1, 1250- 1260 cm-1, 1050 cm-1, 875-910 cm-1, 640 cm-1. Later, we have introduced a quantitative analysis program based on correlation matrix closest fit, and a LOO cross-validation. We have achieved 36.67% and 60% model precision when considering full spectra, or specified bands, respectively. These results prove the possibility of using Raman spectroscopy for quantitative detection of propofol concentrations in whole human blood.

A Protocol, a standard and a (PULI) database for quantitative micro-FTIR measurements of water in nominally anhydrous minerals: an update

NASA Astrophysics Data System (ADS)

Kovacs, Istvan; Udvardi, Beatrix; Pintér, Zsanett; Hidas, Károly; Kutassy, Lászlóné; Falus, György; Lendvay, Pál; István, Török; Zelei, Tamás; Fancsik, Tamás; Gál, Tamás; Mihály, Judith; Németh, Csaba; Ingrin, Jannick; Xia, Qunke; Hermann, Jörg; Stalder, Roland; Perucchi, Andrea; Kamarás, Katalin; Szekrényes, Zsolt

2014-05-01

'Water' (H2O, OH and H+) in the nominally anhydrous minerals (NAMs) of the upper mantle play a key role in determining its geochemical and geophysical properties. Both the concentration and the substitution mechanism of water are important to formulate its effect on material properties. Fourier-transform infrared (FTIR) spectrometry can provide both qualitative and quantitative information on the substitution of water into NAMs, therefore, it is a widely used analytical technique. The quantitative evaluation of micro-FTIR mineral spectra, however, seems to be still rather ambiguous. This is because there are several different - sometimes controversial - ways to measure or estimate the total polarized integrated absorbance (Atot). Furthermore, there are mineral-, substitution mechanism- and wavenumber-dependent calibrations factors available to convert Atot to the absolute concentration of water (usually given in ppm wt.%). No wonder that very different absolute water concentrations may be obtained from the very same IR spectrum. Thus, there is certainly a need for an evaluation protocol which would reduce these uncertainties giving clear instructions how Atot should be obtained and what calibrations factors should be used. This will be introduced in our study. Inter laboratory differences were monitored by analysing the some unoriented grains of the Pakistani olivine standard using different brands of infrared microscopes in several different countries and laboratories worldwide. During these measurements optimal measurement settings for the IR analysis of NAMs were constrained. The results show that the inter laboratory deviations are typically less than 10%. To put constraints on the micro-scale (<50 microns) distribution of water in the Pakistani olivine standard high resolution infrared maps were recorded using a synchrotron light source. The hyper spectral images revealed small-scale heterogeneities within the crystals which otherwise could not have been observed with the aperture size of routine micro-FTIR analysis. Over the last decades several papers and books, dealing with various aspects of water in NAMs reported numerous infrared spectra. To keep up with this rising numbers of infrared spectra an electronic spectral database would be desirable. This was the motivation why we have constructed the Pannon Uniform Lithosheric Infrared (PULI) spectral database ( puli.mfgi.hu ), which by now include over a 1000 spectra of olivine and pyroxenes from the shallow upper mantle. The spectra were collected in uniform electronic formats (txt or xls) which will facilitate the comparison and quantitative re-evaluation.

Robust high-resolution quantification of time signals encoded by in vivo magnetic resonance spectroscopy

NASA Astrophysics Data System (ADS)

Belkić, Dževad; Belkić, Karen

2018-01-01

This paper on molecular imaging emphasizes improving specificity of magnetic resonance spectroscopy (MRS) for early cancer diagnostics by high-resolution data analysis. Sensitivity of magnetic resonance imaging (MRI) is excellent, but specificity is insufficient. Specificity is improved with MRS by going beyond morphology to assess the biochemical content of tissue. This is contingent upon accurate data quantification of diagnostically relevant biomolecules. Quantification is spectral analysis which reconstructs chemical shifts, amplitudes and relaxation times of metabolites. Chemical shifts inform on electronic shielding of resonating nuclei bound to different molecular compounds. Oscillation amplitudes in time signals retrieve the abundance of MR sensitive nuclei whose number is proportional to metabolite concentrations. Transverse relaxation times, the reciprocal of decay probabilities of resonances, arise from spin-spin coupling and reflect local field inhomogeneities. In MRS single voxels are used. For volumetric coverage, multi-voxels are employed within a hybrid of MRS and MRI called magnetic resonance spectroscopic imaging (MRSI). Common to MRS and MRSI is encoding of time signals and subsequent spectral analysis. Encoded data do not provide direct clinical information. Spectral analysis of time signals can yield the quantitative information, of which metabolite concentrations are the most clinically important. This information is equivocal with standard data analysis through the non-parametric, low-resolution fast Fourier transform and post-processing via fitting. By applying the fast Padé transform (FPT) with high-resolution, noise suppression and exact quantification via quantum mechanical signal processing, advances are made, presented herein, focusing on four areas of critical public health importance: brain, prostate, breast and ovarian cancers.

Validation of a Spectral Method for Quantitative Measurement of Color in Protein Drug Solutions.

PubMed

Yin, Jian; Swartz, Trevor E; Zhang, Jian; Patapoff, Thomas W; Chen, Bartolo; Marhoul, Joseph; Shih, Norman; Kabakoff, Bruce; Rahimi, Kimia

2016-01-01

A quantitative spectral method has been developed to precisely measure the color of protein solutions. In this method, a spectrophotometer is utilized for capturing the visible absorption spectrum of a protein solution, which can then be converted to color values (L*a*b*) that represent human perception of color in a quantitative three-dimensional space. These quantitative values (L*a*b*) allow for calculating the best match of a sample's color to a European Pharmacopoeia reference color solution. In order to qualify this instrument and assay for use in clinical quality control, a technical assessment was conducted to evaluate the assay suitability and precision. Setting acceptance criteria for this study required development and implementation of a unique statistical method for assessing precision in 3-dimensional space. Different instruments, cuvettes, protein solutions, and analysts were compared in this study. The instrument accuracy, repeatability, and assay precision were determined. The instrument and assay are found suitable for use in assessing color of drug substances and drug products and is comparable to the current European Pharmacopoeia visual assessment method. In the biotechnology industry, a visual assessment is the most commonly used method for color characterization, batch release, and stability testing of liquid protein drug solutions. Using this method, an analyst visually determines the color of the sample by choosing the closest match to a standard color series. This visual method can be subjective because it requires an analyst to make a judgment of the best match of color of the sample to the standard color series, and it does not capture data on hue and chroma that would allow for improved product characterization and the ability to detect subtle differences between samples. To overcome these challenges, we developed a quantitative spectral method for color determination that greatly reduces the variability in measuring color and allows for a more precise understanding of color differences. In this study, we established a statistical method for assessing precision in 3-dimensional space and demonstrated that the quantitative spectral method is comparable with respect to precision and accuracy to the current European Pharmacopoeia visual assessment method. © PDA, Inc. 2016.

Electric field determination in the plasma-antenna boundary of a lower-hybrid wave launcher in Tore Supra through dynamic Stark-effect spectroscopy

NASA Astrophysics Data System (ADS)

Martin, E. H.; Goniche, M.; Klepper, C. C.; Hillairet, J.; Isler, R. C.; Bottereau, C.; Colas, L.; Ekedahl, A.; Panayotis, S.; Pegourie, B.; Lotte, Ph; Colledani, G.; Caughman, J. B.; Harris, J. H.; Hillis, D. L.; Shannon, S. C.; Clairet, F.; Litaudon, X.

2015-06-01

Interaction of radio-frequency (RF) waves with the plasma in the near-field of a high-power wave launcher is now seen to be an important topic, both in understanding the channeling of these waves through the plasma boundary and in avoiding power losses in the edge. In a recent Letter, a direct non-intrusive measurement of a near antenna RF electric field in the range of lower hybrid (LH) frequencies (ELH) was announced (2013 Phys. Rev. Lett. 110 215005). This measurement was achieved through the fitting of Balmer series deuterium spectral lines utilizing a time dependent (dynamic) Stark effect model. In this article, the analysis of the spectral data is discussed in detail and applied to a larger range of measurements and the accuracy and limitations of the experimental technique are investigated. It was found through an analysis of numerous Tore Supra discharges that good quantitative agreement exists between the measured and full-wave modeled ELH when the launched power exceeds 0.5 MW. For low power the measurement becomes inaccurate utilizing the implemented passive spectroscopic technique because the spectral noise overwhelms the effect of the RF electric field on the line profile. Additionally, effects of the ponderomotive force are suspected at sufficiently high power.

Multispectral Resampling of Seagrass Species Spectra: WorldView-2, Quickbird, Sentinel-2A, ASTER VNIR, and Landsat 8 OLI

NASA Astrophysics Data System (ADS)

Wicaksono, Pramaditya; Salivian Wisnu Kumara, Ignatius; Kamal, Muhammad; Afif Fauzan, Muhammad; Zhafarina, Zhafirah; Agus Nurswantoro, Dwi; Noviaris Yogyantoro, Rifka

2017-12-01

Although spectrally different, seagrass species may not be able to be mapped from multispectral remote sensing images due to the limitation of their spectral resolution. Therefore, it is important to quantitatively assess the possibility of mapping seagrass species using multispectral images by resampling seagrass species spectra to multispectral bands. Seagrass species spectra were measured on harvested seagrass leaves. Spectral resolution of multispectral images used in this research was adopted from WorldView-2, Quickbird, Sentinel-2A, ASTER VNIR, and Landsat 8 OLI. These images are widely available and can be a good representative and baseline for previous or future remote sensing images. Seagrass species considered in this research are Enhalus acoroides (Ea), Thalassodendron ciliatum (Tc), Thalassia hemprichii (Th), Cymodocea rotundata (Cr), Cymodocea serrulata (Cs), Halodule uninervis (Hu), Halodule pinifolia (Hp), Syringodum isoetifolium (Si), Halophila ovalis (Ho), and Halophila minor (Hm). Multispectral resampling analysis indicate that the resampled spectra exhibit similar shape and pattern with the original spectra but less precise, and they lose the unique absorption feature of seagrass species. Relying on spectral bands alone, multispectral image is not effective in mapping these seagrass species individually, which is shown by the poor and inconsistent result of Spectral Angle Mapper (SAM) classification technique in classifying seagrass species using seagrass species spectra as pure endmember. Only Sentinel-2A produced acceptable classification result using SAM.

Combining NMR spectral and structural data to form models of polychlorinated dibenzodioxins, dibenzofurans, and biphenyls binding to the AhR

NASA Astrophysics Data System (ADS)

Beger, Richard D.; Buzatu, Dan A.; Wilkes, Jon G.

2002-10-01

A three-dimensional quantitative spectrometric data-activity relationship (3D-QSDAR) modeling technique which uses NMR spectral and structural information that is combined in a 3D-connectivity matrix has been developed. A 3D-connectivity matrix was built by displaying all possible assigned carbon NMR chemical shifts, carbon-to-carbon connections, and distances between the carbons. Two-dimensional 13C-13C COSY and 2D slices from the distance dimension of the 3D-connectivity matrix were used to produce a relationship among the 2D spectral patterns for polychlorinated dibenzofurans, dibenzodioxins, and biphenyls (PCDFs, PCDDs, and PCBs respectively) binding to the aryl hydrocarbon receptor (AhR). We refer to this technique as comparative structural connectivity spectral analysis (CoSCoSA) modeling. All CoSCoSA models were developed using forward multiple linear regression analysis of the predicted 13C NMR structure-connectivity spectral bins. A CoSCoSA model for 26 PCDFs had an explained variance (r2) of 0.93 and an average leave-four-out cross-validated variance (q4 2) of 0.89. A CoSCoSA model for 14 PCDDs produced an r2 of 0.90 and an average leave-two-out cross-validated variance (q2 2) of 0.79. One CoSCoSA model for 12 PCBs gave an r2 of 0.91 and an average q2 2 of 0.80. Another CoSCoSA model for all 52 compounds had an r2 of 0.85 and an average q4 2 of 0.52. Major benefits of CoSCoSA modeling include ease of development since the technique does not use molecular docking routines.

Inference of relativistic electron spectra from measurements of inverse Compton radiation

NASA Astrophysics Data System (ADS)

Craig, I. J. D.; Brown, J. C.

1980-07-01

The inference of relativistic electron spectra from spectral measurement of inverse Compton radiation is discussed for the case where the background photon spectrum is a Planck function. The problem is formulated in terms of an integral transform that relates the measured spectrum to the unknown electron distribution. A general inversion formula is used to provide a quantitative assessment of the information content of the spectral data. It is shown that the observations must generally be augmented by additional information if anything other than a rudimentary two or three parameter model of the source function is to be derived. It is also pointed out that since a similar equation governs the continuum spectra emitted by a distribution of black-body radiators, the analysis is relevant to the problem of stellar population synthesis from galactic spectra.

Infrared spectroscopic ellipsometry of micrometer-sized SiO2 line gratings

NASA Astrophysics Data System (ADS)

Walder, Cordula; Zellmeier, Matthias; Rappich, Jörg; Ketelsen, Helge; Hinrichs, Karsten

2017-09-01

For the design and process control of periodic nano-structured surfaces spectroscopic ellipsometry is already established in the UV-VIS spectral regime. The objective of this work is to show the feasibility of spectroscopic ellipsometry in the infrared, exemplarily, on micrometer-sized SiO2 line gratings grown on silicon wafers. The grating period ranges from 10 to about 34 μm. The IR-ellipsometric spectra of the gratings exhibit complex changes with structure variations. Especially in the spectral range of the oxide stretching modes, the presence of a Rayleigh singularity can lead to pronounced changes of the spectrum with the sample geometry. The IR-ellipsometric spectra of the gratings are well reproducible by calculations with the RCWA method (Rigorous Coupled Wave Analysis). Therefore, infrared spectroscopic ellipsometry allows the quantitative characterization and process control of micrometer-sized structures.

Apparatus and method for the spectrochemical analysis of liquids using the laser spark

DOEpatents

Cremers, David A.; Radziemski, Leon J.; Loree, Thomas R.

1990-01-01

A method and apparatus for the qualitative and quantitative spectroscopic investigation of elements present in a liquid sample using the laser spark. A series of temporally closely spaced spark pairs is induced in the liquid sample utilizing pulsed electromagnetic radiation from a pair of lasers. The light pulses are not significantly absorbed by the sample so that the sparks occur inside of the liquid. The emitted light from the breakdown events is spectrally and temporally resolved, and the time period between the two laser pulses in each spark pair is adjusted to maximize the signal-to-noise ratio of the emitted signals. In comparison with the single pulse technique, a substantial reduction in the limits of detectability for many elements has been demonstrated. Narrowing of spectral features results in improved discrimination against interfering species.

Apparatus and method for the spectrochemical analysis of liquids using the laser spark

DOEpatents

Cremers, D.A.; Radziemski, L.J.; Loree, T.R.

1984-05-01

A method and apparatus are disclosed for the qualitative and quantitative spectroscopic investigation of elements present in a liquid sample using the laser spark. A series of temporally closely spaced spark pairs is induced in the liquid sample utilizing pulsed electromagnetic radiation from a pair of lasers. The light pulses are not significantly absorbed by the sample so that the sparks occur inside of the liquid. The emitted light from the breakdown events is spectrally and temporally resolved, and the time period between the two laser pulses in each spark pair is adjusted to maximize the signal-to-noise ratio of the emitted signals. In comparison with the single pulse technique, a substantial reduction in the limits of detectability for many elements has been demonstrated. Narrowing of spectral features results in improved discrimination against interfering species.

Hyperspectral and differential CARS microscopy for quantitative chemical imaging in human adipocytes

PubMed Central

Di Napoli, Claudia; Pope, Iestyn; Masia, Francesco; Watson, Peter; Langbein, Wolfgang; Borri, Paola

2014-01-01

In this work, we demonstrate the applicability of coherent anti-Stokes Raman scattering (CARS) micro-spectroscopy for quantitative chemical imaging of saturated and unsaturated lipids in human stem-cell derived adipocytes. We compare dual-frequency/differential CARS (D-CARS), which enables rapid imaging and simple data analysis, with broadband hyperspectral CARS microscopy analyzed using an unsupervised phase-retrieval and factorization method recently developed by us for quantitative chemical image analysis. Measurements were taken in the vibrational fingerprint region (1200–2000/cm) and in the CH stretch region (2600–3300/cm) using a home-built CARS set-up which enables hyperspectral imaging with 10/cm resolution via spectral focussing from a single broadband 5 fs Ti:Sa laser source. Through a ratiometric analysis, both D-CARS and phase-retrieved hyperspectral CARS determine the concentration of unsaturated lipids with comparable accuracy in the fingerprint region, while in the CH stretch region D-CARS provides only a qualitative contrast owing to its non-linear behavior. When analyzing hyperspectral CARS images using the blind factorization into susceptibilities and concentrations of chemical components recently demonstrated by us, we are able to determine vol:vol concentrations of different lipid components and spatially resolve inhomogeneities in lipid composition with superior accuracy compared to state-of-the art ratiometric methods. PMID:24877002

Raman spectral imaging technique on detection of melamine in skim milk powder

USDA-ARS?s Scientific Manuscript database

A point-scan Raman spectral imaging system was used for quantitative detection of melamine in milk powder. A sample depth of 2 mm and corresponding laser intensity of 200 mW were selected after evaluating the penetration of a 785 nm laser through milk powder. Horizontal and vertical spatial resoluti...

Spectral confocal reflection microscopy using a white light source

NASA Astrophysics Data System (ADS)

Booth, M.; Juškaitis, R.; Wilson, T.

2008-08-01

We present a reflection confocal microscope incorporating a white light supercontinuum source and spectral detection. The microscope provides images resolved spatially in three-dimensions, in addition to spectral resolution covering the wavelength range 450-650nm. Images and reflection spectra of artificial and natural specimens are presented, showing features that are not normally revealed in conventional microscopes or confocal microscopes using discrete line lasers. The specimens include thin film structures on semiconductor chips, iridescent structures in Papilio blumei butterfly scales, nacre from abalone shells and opal gemstones. Quantitative size and refractive index measurements of transparent beads are derived from spectral interference bands.

Demonstration of a diode-laser-based high spectral resolution lidar (HSRL) for quantitative profiling of clouds and aerosols.

PubMed

Hayman, Matthew; Spuler, Scott

2017-11-27

We present a demonstration of a diode-laser-based high spectral resolution lidar. It is capable of performing calibrated retrievals of aerosol and cloud optical properties at a 150 m range resolution with less than 1 minute integration time over an approximate range of 12 km during day and night. This instrument operates at 780 nm, a wavelength that is well established for reliable semiconductor lasers and detectors, and was chosen because it corresponds to the D2 rubidium absorption line. A heated vapor reference cell of isotopic rubidium 87 is used as an effective and reliable aerosol signal blocking filter in the instrument. In principle, the diode-laser-based high spectral resolution lidar can be made cost competitive with elastic backscatter lidar systems, yet delivers a significant improvement in data quality through direct retrieval of quantitative optical properties of clouds and aerosols.

Soil spectral characterization

NASA Technical Reports Server (NTRS)

Stoner, E. R.; Baumgardner, M. F.

1981-01-01

The spectral characterization of soils is discussed with particular reference to the bidirectional reflectance factor as a quantitative measure of soil spectral properties, the role of soil color, soil parameters affecting soil reflectance, and field characteristics of soil reflectance. Comparisons between laboratory-measured soil spectra and Landsat MSS data have shown good agreement, especially in discriminating relative drainage conditions and organic matter levels in unvegetated soils. The capacity to measure both visible and infrared soil reflectance provides information on other soil characteristics and makes it possible to predict soil response to different management conditions. Field and laboratory soil spectral characterization helps define the extent to which intrinsic spectral information is available from soils as a consequence of their composition and field characteristics.

Hyper-spectral imaging: A promising tool for quantitative pigment analysis of varved lake sediments

NASA Astrophysics Data System (ADS)

Butz, Christoph; Grosjean, Martin; Tylmann, Wojciech

2015-04-01

Varved lake sediments are good archives for past environmental and climate conditions from annual to multi-millennial scales. Among other proxies, concentrations of sedimentary photopigments have been used for temperature reconstructions. However, obtaining well calibrated annually resolved records from sediments still remains challenging. Most laboratory methods used to analyse lake sediments require physical subsampling and are destructive in the process. Hence, temporal resolution and number of data are limited by the amount of material available in the core. Furthermore, for very low sediment accumulation rates annual subsampling is often very difficult or even impossible. To address these problems we explore hyper-spectral imaging as a non-destructive method to analyse lake sediments based on their reflectance spectra in the visible and near infrared spectrum. In contrast to other scanning methods like X-ray fluorescence, VIS/NIR reflectance spectrometry distinguishes between biogeochemical substances rather than single elements. Among others Rein (2003) has shown that VIS-RS can be used to detect relative concentrations of sedimentary photopigments (e.g. chlorins, carotenoids) and clay minerals. In this study hyper-spectral imaging is used to infer ecological proxy data from reflectance spectra of varved lake sediments. Hyper-spectral imaging permits the measurement of an entire sediment core in a single run at high spatial (30x30µm/pixel) and spectral resolutions (~2.8nm) within the visual to near infrared spectrum (400-1000nm). This allows the analysis of data time series and spatial mapping of sedimentary substances (e.g. chlorophylls/bacterio-chlorophylls and diagenetic products) at sub-varve scales. The method is demonstrated on two varved lake sediments from northern Poland showing the distributions of relative concentrations of two types of sedimentary pigments (Chlorophyll-a + derivatives and Bacterio-pheophytin-a) within individual varve years. The relative concentrations from the spectral data set have then been calibrated with absolute concentrations derived by High-Performance-Liquid-Chromatography (HPLC). This results in very high-resolution data sets of absolute sedimentary pigment concentrations suitable for the analysis of seasonal pigment variations.

Survey of quantitative data on the solar energy and its spectra distribution

NASA Technical Reports Server (NTRS)

Thekaekara, M. P.

1976-01-01

This paper presents a survey of available quantitative data on the total and spectral solar irradiance at ground level and outside the atmosphere. Measurements from research aircraft have resulted in the currently accepted NASA/ASTM standards of the solar constant and zero air mass solar spectral irradiance. The intrinsic variability of solar energy output and programs currently under way for more precise measurements from spacecraft are discussed. Instrumentation for solar measurements and their reference radiation scales are examined. Insolation data available from the records of weather stations are reviewed for their applicability to solar energy conversion. Two alternate methods of solarimetry are briefly discussed.

Raman-spectroscopy-based chemical contaminant detection in milk powder

NASA Astrophysics Data System (ADS)

Dhakal, Sagar; Chao, Kuanglin; Qin, Jianwei; Kim, Moon S.

2015-05-01

Addition of edible and inedible chemical contaminants in food powders for purposes of economic benefit has become a recurring trend. In recent years, severe health issues have been reported due to consumption of food powders contaminated with chemical substances. This study examines the effect of spatial resolution used during spectral collection to select the optimal spatial resolution for detecting melamine in milk powder. Sample depth of 2mm, laser intensity of 200mw, and exposure time of 0.1s were previously determined as optimal experimental parameters for Raman imaging. Spatial resolution of 0.25mm was determined as the optimal resolution for acquiring spectral signal of melamine particles from a milk-melamine mixture sample. Using the optimal resolution of 0.25mm, sample depth of 2mm and laser intensity of 200mw obtained from previous study, spectral signal from 5 different concentration of milk-melamine mixture (1%, 0.5%, 0.1%, 0.05%, and 0.025%) were acquired to study the relationship between number of detected melamine pixels and corresponding sample concentration. The result shows that melamine concentration has a linear relation with detected number of melamine pixels with correlation coefficient of 0.99. It can be concluded that the quantitative analysis of powder mixture is dependent on many factors including physical characteristics of mixture, experimental parameters, and sample depth. The results obtained in this study are promising. We plan to apply the result obtained from this study to develop quantitative detection model for rapid screening of melamine in milk powder. This methodology can also be used for detection of other chemical contaminants in milk powders.

Quantitative methods and detection techniques in hyperspectral imaging involving medical and other applications

NASA Astrophysics Data System (ADS)

Roy, Ankita

2007-12-01

This research using Hyperspectral imaging involves recognizing targets through spatial and spectral matching and spectral un-mixing of data ranging from remote sensing to medical imaging kernels for clinical studies based on Hyperspectral data-sets generated using the VFTHSI [Visible Fourier Transform Hyperspectral Imager], whose high resolution Si detector makes the analysis achievable. The research may be broadly classified into (I) A Physically Motivated Correlation Formalism (PMCF), which places both spatial and spectral data on an equivalent mathematical footing in the context of a specific Kernel and (II) An application in RF plasma specie detection during carbon nanotube growing process. (III) Hyperspectral analysis for assessing density and distribution of retinopathies like age related macular degeneration (ARMD) and error estimation enabling the early recognition of ARMD, which is treated as an ill-conditioned inverse imaging problem. The broad statistical scopes of this research are two fold-target recognition problems and spectral unmixing problems. All processes involve experimental and computational analysis of Hyperspectral data sets is presented, which is based on the principle of a Sagnac Interferometer, calibrated to obtain high SNR levels. PMCF computes spectral/spatial/cross moments and answers the question of how optimally the entire hypercube should be sampled and finds how many spatial-spectral pixels are required precisely for a particular target recognition. Spectral analysis of RF plasma radicals, typically Methane plasma and Argon plasma using VFTHSI has enabled better process monitoring during growth of vertically aligned multi-walled carbon nanotubes by instant registration of the chemical composition or density changes temporally, which is key since a significant correlation can be found between plasma state and structural properties. A vital focus of this dissertation is towards medical Hyperspectral imaging applied to retinopathies like age related macular degeneration targets taken with a Fundus imager, which is akin to the VFTHSI. Detection of the constituent components in the diseased hyper-pigmentation area is also computed. The target or reflectance matrix is treated as a highly ill-conditioned spectral un-mixing problem, to which methodologies like inverse techniques, principal component analysis (PCA) and receiver operating curves (ROC) for precise spectral recognition of infected area. The region containing ARMD was easily distinguishable from the spectral mesh plots over the entire band-pass area. Once the location was detected the PMCF coefficients were calculated by cross correlating a target of normal oxygenated retina with the deoxygenated one. The ROCs generated using PMCF shows 30% higher detection probability with improved accuracy than ROCs based on Spectral Angle Mapper (SAM). By spectral unmixing methods, the important endmembers/carotenoids of the MD pigment were found to be Xanthophyl and lutein, while beta-carotene which showed a negative correlation in the unconstrained inverse problem is a supplement given to ARMD patients to prevent the disease and does not occur in the eye. Literature also shows degeneration of meso-zeaxanthin. Ophthalmologists may assert the presence of ARMD and commence the diagnosis process if the Xanthophyl pigment have degenerated 89.9%, while the lutein has decayed almost 80%, as found deduced computationally. This piece of current research takes it to the next level of precise investigation in the continuing process of improved clinical findings by correlating the microanatomy of the diseased fovea and shows promise of an early detection of this disease.

Retrieval of complex χ(2) parts for quantitative analysis of sum-frequency generation intensity spectra

PubMed Central

Hofmann, Matthias J.; Koelsch, Patrick

2015-01-01

Vibrational sum-frequency generation (SFG) spectroscopy has become an established technique for in situ surface analysis. While spectral recording procedures and hardware have been optimized, unique data analysis routines have yet to be established. The SFG intensity is related to probing geometries and properties of the system under investigation such as the absolute square of the second-order susceptibility χ(2)2. A conventional SFG intensity measurement does not grant access to the complex parts of χ(2) unless further assumptions have been made. It is therefore difficult, sometimes impossible, to establish a unique fitting solution for SFG intensity spectra. Recently, interferometric phase-sensitive SFG or heterodyne detection methods have been introduced to measure real and imaginary parts of χ(2) experimentally. Here, we demonstrate that iterative phase-matching between complex spectra retrieved from maximum entropy method analysis and fitting of intensity SFG spectra (iMEMfit) leads to a unique solution for the complex parts of χ(2) and enables quantitative analysis of SFG intensity spectra. A comparison between complex parts retrieved by iMEMfit applied to intensity spectra and phase sensitive experimental data shows excellent agreement between the two methods. PMID:26450297

Multi-color phase imaging and sickle cell anemia (Conference Presentation)

NASA Astrophysics Data System (ADS)

Hosseini, Poorya; Zhou, Renjie; Yaqoob, Zahid; So, Peter T. C.

2016-03-01

Quantitative phase measurements at multiple wavelengths has created an opportunity for exploring new avenues in phase microscopy such as enhancing imaging-depth (1), measuring hemoglobin concentrations in erythrocytes (2), and more recently in tomographic mapping of the refractive index of live cells (3). To this end, quantitative phase imaging has been demonstrated both at few selected spectral points as well as with high spectral resolution (4,5). However, most of these developed techniques compromise imaging speed, field of view, or the spectral resolution to perform interferometric measurements at multiple colors. In the specific application of quantitative phase in studying blood diseases and red blood cells, current techniques lack the required sensitivity to quantify biological properties of interest at individual cell level. Recently, we have set out to develop a stable quantitative interferometric microscope allowing for measurements of such properties for red cells without compromising field of view or speed of the measurements. The feasibility of the approach will be initially demonstrated in measuring dispersion curves of known solutions, followed by measuring biological properties of red cells in sickle cell anemia. References: 1. Mann CJ, Bingham PR, Paquit VC, Tobin KW. Quantitative phase imaging by three-wavelength digital holography. Opt Express. 2008;16(13):9753-64. 2. Park Y, Yamauchi T, Choi W, Dasari R, Feld MS. Spectroscopic phase microscopy for quantifying hemoglobin concentrations in intact red blood cells. Opt Lett. 2009;34(23):3668-70. 3. Hosseini P, Sung Y, Choi Y, Lue N, Yaqoob Z, So P. Scanning color optical tomography (SCOT). Opt Express. 2015;23(15):19752-62. 4. Jung J-H, Jang J, Park Y. Spectro-refractometry of individual microscopic objects using swept-source quantitative phase imaging. Anal Chem. 2013;85(21):10519-25. 5. Rinehart M, Zhu Y, Wax A. Quantitative phase spectroscopy. Biomed Opt Express. 2012;3(5):958-65.

Stennis Space Center's approach to liquid rocket engine health monitoring using exhaust plume diagnostics

NASA Technical Reports Server (NTRS)

Gardner, D. G.; Tejwani, G. D.; Bircher, F. E.; Loboda, J. A.; Van Dyke, D. B.; Chenevert, D. J.

1991-01-01

Details are presented of the approach used in a comprehensive program to utilize exhaust plume diagnostics for rocket engine health-and-condition monitoring and assessing SSME component wear and degradation. This approach incorporates both spectral and video monitoring of the exhaust plume. Video monitoring provides qualitative data for certain types of component wear while spectral monitoring allows both quantitative and qualitative information. Consideration is given to spectral identification of SSME materials and baseline plume emissions.

Spectral variability of plagioclase-mafic mixtures (3): Quantitative analysis applying the MGM algorithm

NASA Astrophysics Data System (ADS)

Serventi, Giovanna; Carli, Cristian; Sgavetti, Maria

2015-07-01

Among the techniques to detect planet's mineralogical composition remote sensing, visible and near-infrared (VNIR) reflectance spectroscopy is a powerful tool, because crystal field absorption bands are related to particular transitional metals in well-defined crystal structures, e.g., Fe2+ in M1 and M2 sites of olivine (OL) or pyroxene (PX). Although OL, PX and their mixtures have been widely studied, plagioclase (PL), considered a spectroscopically transparent mineral, has been poorly analyzed. In this work we quantitatively investigate the influence of plagioclase absorption band on the absorption bands of Fe, Mg minerals using the Modified Gaussian Model - MGM (Sunshine, J.M. et al. [1990]. J. Geophys. Res. 95, 6955-6966). We consider three plagioclase compositions of varying FeO wt.% contents and five mafic end-members (1) 56% orthopyroxene and 44% clinopyroxene, (2) 28% olivine and 72% orthopyroxene, (3) 30% orthopyroxene and 70% olivine, (4) 100% olivine and (5) 100% orthopyroxene, at two different particle sizes. The spectral parameters considered here are: band depth, band center, band width, c0 (the continuum intercept) and c1 (the continuum offset). In particular, we show the variation of the plagioclase and composite (plagioclase-olivine) band spectral parameters versus the volumetric iron content related to the plagioclase abundance in mixtures. Generally, increasing the vol. FeO% due to the PL: (1) 1250 nm band deepens with linear trend in mixtures with pyroxenes, while it decreases in mixtures with olivine, with trend shifting from parabolic to linear increasing the olivine content in end-member; (2) 1250 nm band center moves towards longer wavelengths with linear trend in pyroxene-rich mixtures and parabolic trend in olivine-rich mixtures; and (3) 1250 nm band clearly widens with linear trend in olivine-free mixtures, while the widening is only slight in olivine-rich mixtures. We also outline how spectral parameters can be ambiguous leading to an incorrect mineralogical interpretation. Furthermore, we show the presence of an asymmetry of the plagioclase band towards the IR region, resolvable adding a Gaussian in the 1600-1800 nm spectral region.

Novel Spectral Representations and Sparsity-Driven Algorithms for Shape Modeling and Analysis

NASA Astrophysics Data System (ADS)

Zhong, Ming

In this dissertation, we focus on extending classical spectral shape analysis by incorporating spectral graph wavelets and sparsity-seeking algorithms. Defined with the graph Laplacian eigenbasis, the spectral graph wavelets are localized both in the vertex domain and graph spectral domain, and thus are very effective in describing local geometry. With a rich dictionary of elementary vectors and forcing certain sparsity constraints, a real life signal can often be well approximated by a very sparse coefficient representation. The many successful applications of sparse signal representation in computer vision and image processing inspire us to explore the idea of employing sparse modeling techniques with dictionary of spectral basis to solve various shape modeling problems. Conventional spectral mesh compression uses the eigenfunctions of mesh Laplacian as shape bases, which are highly inefficient in representing local geometry. To ameliorate, we advocate an innovative approach to 3D mesh compression using spectral graph wavelets as dictionary to encode mesh geometry. The spectral graph wavelets are locally defined at individual vertices and can better capture local shape information than Laplacian eigenbasis. The multi-scale SGWs form a redundant dictionary as shape basis, so we formulate the compression of 3D shape as a sparse approximation problem that can be readily handled by greedy pursuit algorithms. Surface inpainting refers to the completion or recovery of missing shape geometry based on the shape information that is currently available. We devise a new surface inpainting algorithm founded upon the theory and techniques of sparse signal recovery. Instead of estimating the missing geometry directly, our novel method is to find this low-dimensional representation which describes the entire original shape. More specifically, we find that, for many shapes, the vertex coordinate function can be well approximated by a very sparse coefficient representation with respect to the dictionary comprising its Laplacian eigenbasis, and it is then possible to recover this sparse representation from partial measurements of the original shape. Taking advantage of the sparsity cue, we advocate a novel variational approach for surface inpainting, integrating data fidelity constraints on the shape domain with coefficient sparsity constraints on the transformed domain. Because of the powerful properties of Laplacian eigenbasis, the inpainting results of our method tend to be globally coherent with the remaining shape. Informative and discriminative feature descriptors are vital in qualitative and quantitative shape analysis for a large variety of graphics applications. We advocate novel strategies to define generalized, user-specified features on shapes. Our new region descriptors are primarily built upon the coefficients of spectral graph wavelets that are both multi-scale and multi-level in nature, consisting of both local and global information. Based on our novel spectral feature descriptor, we developed a user-specified feature detection framework and a tensor-based shape matching algorithm. Through various experiments, we demonstrate the competitive performance of our proposed methods and the great potential of spectral basis and sparsity-driven methods for shape modeling.

Hidden relationship between the electrical conductivity and the Mn 2p core-level photoemission spectra in La{sub 1-x}Sr{sub x}MnO{sub 3}

DOE Office of Scientific and Technical Information (OSTI.GOV)

Hishida, T.; Ohbayashi, K.; Saitoh, T.

2013-01-28

Core-level electronic structure of La{sub 1-x}Sr{sub x}MnO{sub 3} has been studied by x-ray photoemission spectroscopy (XPS). We first report, by the conventional XPS, the well-screened shoulder structure in Mn 2p{sub 3/2} peak, which had been observed only by hard x-ray photoemission spectroscopy so far. Multiple-peak analysis revealed that the Mn{sup 4+} spectral weight was not proportional to the nominal hole concentration x, indicating that a simple Mn{sup 3+}/Mn{sup 4+} intensity ratio analysis may result in a wrong quantitative elemental analysis. Considerable weight of the shoulder at x = 0.0 and the fact that the shoulder weight was even slightly goingmore » down from x = 0.2 to 0.4 were not compatible with the idea that this weight simply represents the metallic behavior. Further analysis found that the whole Mn 2p{sub 3/2} peak can be decomposed into four portions, the Mn{sup 4+}, the (nominal) Mn{sup 3+}, the shoulder, and the other spectral weight located almost at the Mn{sup 3+} location. We concluded that this weight represents the well-screened final state at Mn{sup 4+} sites, whereas the shoulder is known as that of the Mn{sup 3+} states. We found that the sum of these two spectral weight has an empirical relationship to the conductivity evolution with x.« less

Numerical analysis of quantitative measurement of hydroxyl radical concentration using laser-induced fluorescence in flame

NASA Astrophysics Data System (ADS)

Shuang, Chen; Tie, Su; Yao-Bang, Zheng; Li, Chen; Ting-Xu, Liu; Ren-Bing, Li; Fu-Rong, Yang

2016-06-01

The aim of the present work is to quantitatively measure the hydroxyl radical concentration by using LIF (laser-induced fluorescence) in flame. The detailed physical models of spectral absorption lineshape broadening, collisional transition and quenching at elevated pressure are built. The fine energy level structure of the OH molecule is illustrated to understand the process with laser-induced fluorescence emission and others in the case without radiation, which include collisional quenching, rotational energy transfer (RET), and vibrational energy transfer (VET). Based on these, some numerical results are achieved by simulations in order to evaluate the fluorescence yield at elevated pressure. These results are useful for understanding the real physical processes in OH-LIF technique and finding a way to calibrate the signal for quantitative measurement of OH concentration in a practical combustor. Project supported by the National Natural Science Foundation of China (Grant No. 11272338) and the Fund from the Science and Technology on Scramjet Key Laboratory, China (Grant No. STSKFKT2013004).

The diagnostic capability of laser induced fluorescence in the characterization of excised breast tissues

NASA Astrophysics Data System (ADS)

Galmed, A. H.; Elshemey, Wael M.

2017-08-01

Differentiating between normal, benign and malignant excised breast tissues is one of the major worldwide challenges that need a quantitative, fast and reliable technique in order to avoid personal errors in diagnosis. Laser induced fluorescence (LIF) is a promising technique that has been applied for the characterization of biological tissues including breast tissue. Unfortunately, only few studies have adopted a quantitative approach that can be directly applied for breast tissue characterization. This work provides a quantitative means for such characterization via introduction of several LIF characterization parameters and determining the diagnostic accuracy of each parameter in the differentiation between normal, benign and malignant excised breast tissues. Extensive analysis on 41 lyophilized breast samples using scatter diagrams, cut-off values, diagnostic indices and receiver operating characteristic (ROC) curves, shows that some spectral parameters (peak height and area under the peak) are superior for characterization of normal, benign and malignant breast tissues with high sensitivity (up to 0.91), specificity (up to 0.91) and accuracy ranking (highly accurate).

Quantitative analysis of gallstones using laser-induced breakdown spectroscopy

DOE Office of Scientific and Technical Information (OSTI.GOV)

Singh, Vivek K.; Singh, Vinita; Rai, Awadhesh K.

2008-11-01

The utility of laser-induced breakdown spectroscopy (LIBS) for categorizing different types of gallbladder stone has been demonstrated by analyzing their major and minor constituents. LIBS spectra of three types of gallstone have been recorded in the 200-900 nm spectral region. Calcium is found to be the major element in all types of gallbladder stone. The spectrophotometric method has been used to classify the stones. A calibration-free LIBS method has been used for the quantitative analysis of metal elements, and the results have been compared with those obtained from inductively coupled plasma atomic emission spectroscopy (ICP-AES) measurements. The single-shot LIBS spectramore » from different points on the cross section (in steps of 0.5 mm from one end to the other) of gallstones have also been recorded to study the variation of constituents from the center to the surface. The presence of different metal elements and their possible role in gallstone formation is discussed.« less

Micellar modification of drug stability: analysis of the effect of hexadecyltrimethylammonium halides on the rate of degradation of cephaclor.

PubMed

Oliveira, A G; Cuccovia, I M; Chaimovich, H

1990-01-01

The intra- and intermolecular rates of degradation of cephaclor were determined with and without hexadecyltrimethylammonium bromide (CTABr). Micellar-derived spectral shifts were used to measure the association of the ionic forms as well as to determine the effect of CTABr on the apparent acid dissociation constant of the antibiotic. The rate of degradation of cephaclor increased with detergent and was salt sensitive. Micellar effects were analyzed quantitatively within the framework of the pseudophase ion exchange model. All experimental data were fitted to this model which was used to predict the combined effects of pH and detergent concentration. Micelles increased the rate of OH- attack on cephaclor; most of the effect was due to the concentration of reagents in the micellar pseudophase. The intramolecular degradation was catalyzed 25-fold by micelles, and a working hypothesis to rationalize this effect is proposed. The results demonstrate that quantitative analysis can be utilized to assess and predict effects of detergents on drug stability.

Label-free quantitative proteomics reveals differentially regulated proteins in the latex of sticky diseased Carica papaya L. plants

PubMed Central

Rodrigues, Silas P.; Ventura, José A.; Aguilar, Clemente; Nakayasu, Ernesto S.; Choi, HyungWon; Sobreira, Tiago J. P.; Nohara, Lilian L.; Wermelinger, Luciana S.; Almeida, Igor C.; Zingali, Russolina B.; Fernandes, Patricia M. B.

2012-01-01

Papaya meleira virus (PMeV) is so far the only described laticifer-infecting virus, the causal agent of papaya (Carica papaya L.) sticky disease. The effects of PMeV on the laticifers’ regulatory network were addressed here through the proteomic analysis of papaya latex. Using both 1-DE- and 1D-LC-ESI-MS/MS, 160 unique papaya latex proteins were identified, representing 122 new proteins in the latex of this plant. Quantitative analysis by normalized spectral counting revealed 10 down-regulated proteins in the latex of diseased plants, 9 cysteine proteases (chymopapain) and 1 latex serine proteinase inhibitor. A repression of papaya latex proteolytic activity during PMeV infection was hypothesized. This was further confirmed by enzymatic assays that showed a reduction of cysteine-protease-associated proteolytic activity in the diseased papaya latex. These findings are discussed in the context of plant responses against pathogens and may greatly contribute to understand the roles of laticifers in plant stress responses. PMID:22465191

Quantitative analysis of rectal cancer by spectral domain optical coherence tomography

NASA Astrophysics Data System (ADS)

Zhang, Q. Q.; Wu, X. J.; Tang, T.; Zhu, S. W.; Yao, Q.; Gao, Bruce Z.; Yuan, X. C.

2012-08-01

To quantify OCT images of rectal tissue for clinic diagnosis, the scattering coefficient of the tissue is extracted by curve fitting the OCT signals to a confocal single model. A total of 1000 measurements (half and half of normal and malignant tissues) were obtained from 16 recta. The normal rectal tissue has a larger scattering coefficient ranging from 1.09 to 5.41 mm-1 with a mean value of 2.29 mm-1 (std:±0.32), while the malignant group shows lower scattering property and the values ranging from 0.25 to 2.69 mm-1 with a mean value of 1.41 mm-1 (std:±0.18). The peri-cancer of recta has also been investigated to distinguish the difference between normal and malignant rectal tissue. The results demonstrate that the quantitative analysis of the rectal tissue can be used as a promising diagnostic criterion of early rectal cancer, which has great value for clinical medical applications.

Camouflage target detection via hyperspectral imaging plus information divergence measurement

NASA Astrophysics Data System (ADS)

Chen, Yuheng; Chen, Xinhua; Zhou, Jiankang; Ji, Yiqun; Shen, Weimin

2016-01-01

Target detection is one of most important applications in remote sensing. Nowadays accurate camouflage target distinction is often resorted to spectral imaging technique due to its high-resolution spectral/spatial information acquisition ability as well as plenty of data processing methods. In this paper, hyper-spectral imaging technique together with spectral information divergence measure method is used to solve camouflage target detection problem. A self-developed visual-band hyper-spectral imaging device is adopted to collect data cubes of certain experimental scene before spectral information divergences are worked out so as to discriminate target camouflage and anomaly. Full-band information divergences are measured to evaluate target detection effect visually and quantitatively. Information divergence measurement is proved to be a low-cost and effective tool for target detection task and can be further developed to other target detection applications beyond spectral imaging technique.

Quantitative lithologic mapping in spectral ratio feature space - Volcanic, sedimentary and metamorphic terrains

NASA Technical Reports Server (NTRS)

Campos-Marquetti, Raul, Jr.; Rockwell, Barnaby

1990-01-01

The nature of spectral lithologic mapping is studied utilizing ratios centered around the wavelength means of TM imagery. Laboratory-derived spectra are analyzed to determine the two-dimensional relationships and distributions visible in spectral ratio feature space. The spectral distributions of various rocks and minerals in ratio feature space are found to be controlled by several spectrally dominant molecules. Three study areas were examined: Rawhide Mining District, Nevada; Manzano Mountains, New Mexico; and the Sevilleta Long Term Ecological Research site in New Mexico. It is shown that, in the comparison of two ratio plots of laboratory reflectance spectra, i.e., 0.66/0.485 micron versus 1.65/2.22 microns with those derived from TM data, several molecules spectrally dominate the reflectance characteristic of surface lithologic units. Utilizing the above ratio combination, two areas are successfully mapped based on their distribution in spectral ratio feature space.

Statistical quantifiers of memory for an analysis of human brain and neuro-system diseases

NASA Astrophysics Data System (ADS)

Demin, S. A.; Yulmetyev, R. M.; Panischev, O. Yu.; Hänggi, Peter

2008-03-01

On the basis of a memory function formalism for correlation functions of time series we investigate statistical memory effects by the use of appropriate spectral and relaxation parameters of measured stochastic data for neuro-system diseases. In particular, we study the dynamics of the walk of a patient who suffers from Parkinson's disease (PD), Huntington's disease (HD), amyotrophic lateral sclerosis (ALS), and compare against the data of healthy people (CO - control group). We employ an analytical method which is able to characterize the stochastic properties of stride-to-stride variations of gait cycle timing. Our results allow us to estimate quantitatively a few human locomotion function abnormalities occurring in the human brain and in the central nervous system (CNS). Particularly, the patient's gait dynamics are characterized by an increased memory behavior together with sizable fluctuations as compared with the locomotion dynamics of healthy patients. Moreover, we complement our findings with peculiar features as detected in phase-space portraits and spectral characteristics for the different data sets (PD, HD, ALS and healthy people). The evaluation of statistical quantifiers of the memory function is shown to provide a useful toolkit which can be put to work to identify various abnormalities of locomotion dynamics. Moreover, it allows one to diagnose qualitatively and quantitatively serious brain and central nervous system diseases.

Monte Carlo modeling of light-tissue interactions in narrow band imaging.

PubMed

Le, Du V N; Wang, Quanzeng; Ramella-Roman, Jessica C; Pfefer, T Joshua

2013-01-01

Light-tissue interactions that influence vascular contrast enhancement in narrow band imaging (NBI) have not been the subject of extensive theoretical study. In order to elucidate relevant mechanisms in a systematic and quantitative manner we have developed and validated a Monte Carlo model of NBI and used it to study the effect of device and tissue parameters, specifically, imaging wavelength (415 versus 540 nm) and vessel diameter and depth. Simulations provided quantitative predictions of contrast-including up to 125% improvement in small, superficial vessel contrast for 415 over 540 nm. Our findings indicated that absorption rather than scattering-the mechanism often cited in prior studies-was the dominant factor behind spectral variations in vessel depth-selectivity. Narrow-band images of a tissue-simulating phantom showed good agreement in terms of trends and quantitative values. Numerical modeling represents a powerful tool for elucidating the factors that affect the performance of spectral imaging approaches such as NBI.

Spectral Deconvolution of the 6196 and 6614 Å Diffuse Interstellar Bands Supports a Common-carrier Origin

NASA Astrophysics Data System (ADS)

Bernstein, L. S.; Shroll, R. M.; Galazutdinov, G. A.; Beletsky, Y.

2018-06-01

We explore the common-carrier hypothesis for the 6196 and 6614 Å diffuse interstellar bands (DIBs). The observed DIB spectra are sharpened using a spectral deconvolution algorithm. This reveals finer spectral features that provide tighter constraints on candidate carriers. We analyze a deconvolved λ6614 DIB spectrum and derive spectroscopic constants that are then used to model the λ6196 spectra. The common-carrier spectroscopic constants enable quantitative fits to the contrasting λ6196 and λ6614 spectra from two sightlines. Highlights of our analysis include (1) sharp cutoffs for the maximum values of the rotational quantum numbers, J max = K max, (2) the λ6614 DIB consisting of a doublet and a red-tail component arising from different carriers, (3) the λ6614 doublet and λ6196 DIBs sharing a common carrier, (4) the contrasting shapes of the λ6614 doublet and λ6196 DIBs arising from different vibration–rotation Coriolis coupling constants that originate from transitions from a common ground state to different upper electronic state degenerate vibrational levels, and (5) the different widths of the two DIBs arising from different effective rotational temperatures associated with principal rotational axes that are parallel and perpendicular to the highest-order symmetry axis. The analysis results suggest a puckered oblate symmetric top carrier with a dipole moment aligned with the highest-order symmetry axis. An example candidate carrier consistent with these specifications is corannulene (C20H10), or one of its symmetric ionic or dehydrogenated forms, whose rotational constants are comparable to those obtained from spectral modeling of the DIB profiles.

Techniques for identifying dust devils in mars pathfinder images

USGS Publications Warehouse

Metzger, S.M.; Carr, J.R.; Johnson, J. R.; Parker, T.J.; Lemmon, M.T.

2000-01-01

Image processing methods used to identify and enhance dust devil features imaged by IMP (Imager for Mars Pathfinder) are reviewed. Spectral differences, visible red minus visible blue, were used for initial dust devil searches, driven by the observation that Martian dust has high red and low blue reflectance. The Martian sky proved to be more heavily dust-laden than pre-Pathfinder predictions, based on analysis of images from the Hubble Space Telescope. As a result, these initial spectral difference methods failed to contrast dust devils with background dust haze. Imager artifacts (dust motes on the camera lens, flat-field effects caused by imperfections in the CCD, and projection onto a flat sensor plane by a convex lens) further impeded the ability to resolve subtle dust devil features. Consequently, reference images containing sky with a minimal horizon were first subtracted from each spectral filter image to remove camera artifacts and reduce the background dust haze signal. Once the sky-flat preprocessing step was completed, the red-minus-blue spectral difference scheme was attempted again. Dust devils then were successfully identified as bright plumes. False-color ratios using calibrated IMP images were found useful for visualizing dust plumes, verifying initial discoveries as vortex-like features. Enhancement of monochromatic (especially blue filter) images revealed dust devils as silhouettes against brighter background sky. Experiments with principal components transformation identified dust devils in raw, uncalibrated IMP images and further showed relative movement of dust devils across the Martian surface. A variety of methods therefore served qualitative and quantitative goals for dust plume identification and analysis in an environment where such features are obscure.

eRah: A Computational Tool Integrating Spectral Deconvolution and Alignment with Quantification and Identification of Metabolites in GC/MS-Based Metabolomics.

PubMed

Domingo-Almenara, Xavier; Brezmes, Jesus; Vinaixa, Maria; Samino, Sara; Ramirez, Noelia; Ramon-Krauel, Marta; Lerin, Carles; Díaz, Marta; Ibáñez, Lourdes; Correig, Xavier; Perera-Lluna, Alexandre; Yanes, Oscar

2016-10-04

Gas chromatography coupled to mass spectrometry (GC/MS) has been a long-standing approach used for identifying small molecules due to the highly reproducible ionization process of electron impact ionization (EI). However, the use of GC-EI MS in untargeted metabolomics produces large and complex data sets characterized by coeluting compounds and extensive fragmentation of molecular ions caused by the hard electron ionization. In order to identify and extract quantitative information on metabolites across multiple biological samples, integrated computational workflows for data processing are needed. Here we introduce eRah, a free computational tool written in the open language R composed of five core functions: (i) noise filtering and baseline removal of GC/MS chromatograms, (ii) an innovative compound deconvolution process using multivariate analysis techniques based on compound match by local covariance (CMLC) and orthogonal signal deconvolution (OSD), (iii) alignment of mass spectra across samples, (iv) missing compound recovery, and (v) identification of metabolites by spectral library matching using publicly available mass spectra. eRah outputs a table with compound names, matching scores and the integrated area of compounds for each sample. The automated capabilities of eRah are demonstrated by the analysis of GC-time-of-flight (TOF) MS data from plasma samples of adolescents with hyperinsulinaemic androgen excess and healthy controls. The quantitative results of eRah are compared to centWave, the peak-picking algorithm implemented in the widely used XCMS package, MetAlign, and ChromaTOF software. Significantly dysregulated metabolites are further validated using pure standards and targeted analysis by GC-triple quadrupole (QqQ) MS, LC-QqQ, and NMR. eRah is freely available at http://CRAN.R-project.org/package=erah .

Data Independent Acquisition analysis in ProHits 4.0.

PubMed

Liu, Guomin; Knight, James D R; Zhang, Jian Ping; Tsou, Chih-Chiang; Wang, Jian; Lambert, Jean-Philippe; Larsen, Brett; Tyers, Mike; Raught, Brian; Bandeira, Nuno; Nesvizhskii, Alexey I; Choi, Hyungwon; Gingras, Anne-Claude

2016-10-21

Affinity purification coupled with mass spectrometry (AP-MS) is a powerful technique for the identification and quantification of physical interactions. AP-MS requires careful experimental design, appropriate control selection and quantitative workflows to successfully identify bona fide interactors amongst a large background of contaminants. We previously introduced ProHits, a Laboratory Information Management System for interaction proteomics, which tracks all samples in a mass spectrometry facility, initiates database searches and provides visualization tools for spectral counting-based AP-MS approaches. More recently, we implemented Significance Analysis of INTeractome (SAINT) within ProHits to provide scoring of interactions based on spectral counts. Here, we provide an update to ProHits to support Data Independent Acquisition (DIA) with identification software (DIA-Umpire and MSPLIT-DIA), quantification tools (through DIA-Umpire, or externally via targeted extraction), and assessment of quantitative enrichment (through mapDIA) and scoring of interactions (through SAINT-intensity). With additional improvements, notably support of the iProphet pipeline, facilitated deposition into ProteomeXchange repositories and enhanced export and viewing functions, ProHits 4.0 offers a comprehensive suite of tools to facilitate affinity proteomics studies. It remains challenging to score, annotate and analyze proteomics data in a transparent manner. ProHits was previously introduced as a LIMS to enable storing, tracking and analysis of standard AP-MS data. In this revised version, we expand ProHits to include integration with a number of identification and quantification tools based on Data-Independent Acquisition (DIA). ProHits 4.0 also facilitates data deposition into public repositories, and the transfer of data to new visualization tools. Copyright © 2016 Elsevier B.V. All rights reserved.

Peptidoglycan and Teichoic Acid Levels and Alterations in Staphylococcus aureus by Cell-Wall and Whole-Cell Nuclear Magnetic Resonance.

PubMed

Romaniuk, Joseph A H; Cegelski, Lynette

2018-06-11

Gram-positive bacteria surround themselves with a multilayered macromolecular cell wall that is essential to cell survival and serves as a major target for antibiotics. The cell wall of Staphylococcus aureus is composed of two major structural components, peptidoglycan (PG) and wall teichoic acid (WTA), together creating a heterogeneous and insoluble matrix that poses a challenge to quantitative compositional analysis. Here, we present 13 C cross polarization magic angle spinning solid-state nuclear magnetic resonance (NMR) spectra of intact cell walls, purified PG, and purified WTA. The spectra reveal the clear molecular differences in the two polymers and enable quantification of PG and WTA in isolated cell walls, an attractive alternative to estimating teichoic acid content from a phosphate analysis of completely pyrolyzed cell walls. Furthermore, we discovered that unique PG and WTA spectral signatures could be identified in whole-cell NMR spectra and used to compare PG and WTA levels among intact bacterial cell samples. The distinguishing whole-cell 13 C NMR contributions associated with PG include the GlcNAc-MurNAc sugar carbons and glycyl α-carbons. WTA contributes carbons from the phosphoribitol backbone. Distinguishing 15 N spectral signatures include glycyl amide nitrogens in PG and the esterified d-alanyl amine nitrogens in WTA. 13 C NMR analysis was performed with samples at natural abundance and included 10 whole-cell sample comparisons. Changes consistent with altered PG and WTA content were detected in whole-cell spectra of bacteria harvested at different growth times and in cells treated with tunicamycin. This use of whole-cell NMR provides quantitative parameters of composition in the context of whole-cell activity.

Quantification of dimethylsulfoniopropionate (DMSP) in Acropora spp. of reef-building coral using mass spectrometry with deuterated internal standard.

PubMed

Swan, Hilton B; Deschaseaux, Elisabeth S M; Jones, Graham B; Eyre, Bradley D

2017-03-01

Dimethylsulfoniopropionate (DMSP) in scleractinian coral is usually analysed indirectly as dimethylsulfide (DMS) using gas chromatography (GC) with a sulfur-specific detector. We developed a headspace GC method for mass spectral analysis of DMSP in branching coral where hexa-deuterated DMSP (d 6 -DMSP) was added to samples and standards to optimise the analytical precision and quantitative accuracy. Using this indirect HS-GC-MS method, we show that common coral sample handling techniques did not alter DMSP concentrations in Acropora aspera and that endogenous DMS was insignificant compared to the store of DMSP in A. aspera. Field application of the indirect HS-GC-MS method in all seasons over a 5-year period at Heron Island in the southern Great Barrier Reef indicated that healthy colonies of A. aspera ordinarily seasonally conserve their branch tip store of DMSP; however, this store increased to a higher concentration under extended thermal stress conditions driven by a strong El Niño Southern Oscillation event. A liquid chromatography mass spectral method (LC-MS) was subsequently developed for direct analysis of DMSP in branching coral, also utilising the d 6 -DMSP internal standard. The quantitative comparison of DMSP in four species of Acropora coral by indirect HS-GC-MS and direct LC-MS analyses gave equivalent concentrations in A. aspera only; in the other three species, HS-GC-MS gave consistently higher concentrations, indicating that indirect analysis of DMSP may lead to artificially high values for some coral species. Graphical Abstract Dimethylsulfoniopropionate (DMSP) was quantified in Acropora spp. of branching coral using deuterated stable isotope dilution mass spectrometry.

Characterization of potassium dichromate solutions for spectrophotometercalibration

NASA Astrophysics Data System (ADS)

Conceição, F. C.; Silva, E. M.; Gomes, J. F. S.; Borges, P. P.

2018-03-01

Spectrophotometric analysis in the ultraviolet (UV) region is used in the determination of several quantitative and qualitative parameters. For ensuring reliability of the analyses performed on the spectrophotometers, verification / calibration of the equipment must be performed periodically using certified reference materials (CRMs). This work presents the characterization stage needed for producing this CRM. The property value characterized was the absorbance for the wavelengths in the UV spectral regions. This CRM will contribute to guarantee the accuracy and linearity of the absorbance scale to the spectrophotometers, through which analytical measurement results will be provided with metrological traceability.

Quantitative Analysis of Drugs with Highly Different Concentrations of Pharmaceutical Components Using Spectral Subtraction Techniques

NASA Astrophysics Data System (ADS)

Ayoub, B. M.

2017-11-01

Two simple spectrophotometric methods were developed for determination of empagliflozin and metformin by manipulating their ratio spectra with application on a recently approved pharmaceutical combination, Synjardy® tablets. A spiking technique was used to increase the concentration of empagliflozin after extraction from the tablets to allow its simultaneous determination with metformin. Validation parameters according to ICH guidelines were acceptable over the concentration range of 2-12 μg/mL for both drugs using constant multiplication and spectrum subtraction methods. The optimized methods are suitable for QC labs.

Information System for Molecular Spectroscopy: 7-Systematization of Information Resources on the Main Isotopologue of the Methanol Molecule

NASA Astrophysics Data System (ADS)

Akhlestin, A. Yu.; Voronina, S. S.; Privezentsev, A. I.; Rodimova, O. B.; Fazliev, A. Z.

2017-04-01

Systematization of information resources in quantitative spectroscopy is demonstrated using the methanol molecule as an example and applying the facilities of the W@DIS information system. The choice of quantum numbers for a methanol state is explained; brief descriptions of about 40 publications containing spectral characteristics of methanol are given. The interfaces used for the analysis of consistency of wavenumbers in all data sources are described, as well as the interface of the application for forming the list of measured transitions.

Pixel Statistical Analysis of Diabetic vs. Non-diabetic Foot-Sole Spectral Terahertz Reflection Images

NASA Astrophysics Data System (ADS)

Hernandez-Cardoso, G. G.; Alfaro-Gomez, M.; Rojas-Landeros, S. C.; Salas-Gutierrez, I.; Castro-Camus, E.

2018-03-01

In this article, we present a series of hydration mapping images of the foot soles of diabetic and non-diabetic subjects measured by terahertz reflectance. In addition to the hydration images, we present a series of RYG-color-coded (red yellow green) images where pixels are assigned one of the three colors in order to easily identify areas in risk of ulceration. We also present the statistics of the number of pixels with each color as a potential quantitative indicator for diabetic foot-syndrome deterioration.

Remote sensing of total dry-matter accumulation in winter wheat

NASA Technical Reports Server (NTRS)

Tucker, C. J.; Holben, B. N.; Elgin, J. H., Jr.; Mcmurtrey, J. E., III (Principal Investigator)

1980-01-01

The author has identified the following significant results. Red and photographic-infrared spectral data collected on 21 dates over the growing season with a hand-held radiometer was quantitatively correlated with total dry-matter accumulation in winter wheat. The spectral data were found to be highly related to vigor and condition of the plant canopy. Two periods of drought stress and subsequent recovery from it were readily apparent in the spectral data. Simple ratios of the spectral data compensated for variations in solar intensities and, when integrated over the growing season, explained 79% of the variation in total above-ground accumulation of dry matter.

Analysis of slow-wave activity and slow-wave oscillations prior to somnambulism.

PubMed

Jaar, Olivier; Pilon, Mathieu; Carrier, Julie; Montplaisir, Jacques; Zadra, Antonio

2010-11-01

STUDY OBJECTIVIES: several studies have investigated slow wave sleep EEG parameters, including slow-wave activity (SWA) in relation to somnambulism, but results have been both inconsistent and contradictory. The first goal of the present study was to conduct a quantitative analysis of sleepwalkers' sleep EEG by studying fluctuations in spectral power for delta (1-4 Hz) and slow delta (0.5-1 Hz) before the onset of somnambulistic episodes. A secondary aim was to detect slow-wave oscillations to examine changes in their amplitude and density prior to behavioral episodes. twenty-two adult sleepwalkers were investigated polysomnographically following 25 h of sleep deprivation. analysis of patients' sleep EEG over the 200 sec prior to the episodes' onset revealed that the episodes were not preceded by a gradual increase in spectral power for either delta or slow delta over frontal, central, or parietal leads. However, time course comparisons revealed significant changes in the density of slow-wave oscillations as well as in very slow oscillations with significant increases occurring during the final 20 sec immediately preceding episode onset. the specificity of these sleep EEG parameters for the occurrence and diagnosis of NREM parasomnias remains to be determined.

Chemometric analysis of correlations between electronic absorption characteristics and structural and/or physicochemical parameters for ampholytic substances of biological and pharmaceutical relevance.

PubMed

Judycka-Proma, U; Bober, L; Gajewicz, A; Puzyn, T; Błażejowski, J

2015-03-05

Forty ampholytic compounds of biological and pharmaceutical relevance were subjected to chemometric analysis based on unsupervised and supervised learning algorithms. This enabled relations to be found between empirical spectral characteristics derived from electronic absorption data and structural and physicochemical parameters predicted by quantum chemistry methods or phenomenological relationships based on additivity rules. It was found that the energies of long wavelength absorption bands are correlated through multiparametric linear relationships with parameters reflecting the bulkiness features of the absorbing molecules as well as their nucleophilicity and electrophilicity. These dependences enable the quantitative analysis of spectral features of the compounds, as well as a comparison of their similarities and certain pharmaceutical and biological features. Three QSPR models to predict the energies of long-wavelength absorption in buffers with pH=2.5 and pH=7.0, as well as in methanol, were developed and validated in this study. These models can be further used to predict the long-wavelength absorption energies of untested substances (if they are structurally similar to the training compounds). Copyright © 2014 Elsevier B.V. All rights reserved.

Composition and structure of fresh ammonia clouds on Jupiter based on quantitative analysis of Galileo/NIMS and New Horizons/LEISA spectra

NASA Astrophysics Data System (ADS)

Sromovsky, L. A.; Fry, P. M.

2018-06-01

Ammonia gas has long been assumed to be the main source of condensables for the upper cloud layer on Jupiter, but distinctive spectral features associated with ammonia have been seen only rarely. Since both ammonia and NH4SH absorb in the 3 μm region, and widespread absorption in the 3 μm region was present (Sromovsky and Fry, 2010), identification of the 2 μm absorption feature of NH3 provided an opportunity to clearly establish its presence in Jovian clouds. Baines et al. (2002) succeeded in finding in Near Infrared Mapping Spectrometer (NIMS) observations one feature that had both 2 μm and 3 μm absorption, and many which were known to have absorption at 2.73 μm. They named these Spectrally Identifiable Ammonia Clouds (SIACs). They also argued that these were fresh ammonia clouds that would eventually succumb to some process that would obscure their absorption features. Detection of many more of the 2 μm features was later achieved by New Horizon's Linear Etalon Imaging Spectral Array (LEISA) instrument, which provided both the spatial and spectral resolution needed to identify these features. Here we report on the first quantitative modeling that uses NIMS spectra over a broad (1-5.2 μm) spectral range and LEISA spectra over a much narrower (1.25-2.5 μm) spectral range to constrain the cloud structure and composition of these rare cloud features and compare them to background clouds. We find that the absorption signature at 2 μm, which is well characterized in LEISA spectra, is relatively subtle and easily matched by model clouds containing spherical particles of ammonia ice with radii of 2-4 μm. The NIMS spectra, which cover both reflected sunlight as well as thermal emission regions are more difficult to model with cloud materials plausibly present in Jupiter's atmosphere. The best signal/noise spectra obtained from NIMS provide a relatively sparse sampling of the spectrum, which does not establish the detailed shape of the 3 μm absorption region. NIMS SIAC spectra with much denser spectral sampling are limited by much higher noise levels that degrade the features that are key to identifying cloud composition. The structure which best matches the wide range NIMS SIAC spectra contains two overlapping NH3 clouds with a bi-modal size distribution over an optically thick NH4SH cloud. The bi-modal distribution may be a result of modeling non-spherical, possibly fractal aggregate, particles with spheres.

Cloud Properties Derived from Surface-Based Near-Infrared Spectral Transmission

NASA Technical Reports Server (NTRS)

Pilewskie, Peter; Twomey, S.; Gore, Warren J. Y. (Technical Monitor)

1996-01-01

Surface based near-infrared cloud spectral transmission measurements from a recent precipitation/cloud physics field study are used to determine cloud physical properties and relate them to other remote sensing and in situ measurements. Asymptotic formulae provide an effective means of closely approximating the qualitative and quantitative behavior of transmission computed by more laborious detailed methods. Relationships derived from asymptotic formulae are applied to measured transmission spectra to test objectively the internal consistency of data sets acquired during the field program and they confirmed the quality of the measurements. These relationships appear to be very useful in themselves, not merely as a quality control measure, but also a potentially valuable remote-sensing technique in its own right. Additional benefits from this analysis have been the separation of condensed water (cloud) transmission and water vapor transmission and the development of a method to derive cloud liquid water content.

A median-Gaussian filtering framework for Moiré pattern noise removal from X-ray microscopy image.

PubMed

Wei, Zhouping; Wang, Jian; Nichol, Helen; Wiebe, Sheldon; Chapman, Dean

2012-02-01

Moiré pattern noise in Scanning Transmission X-ray Microscopy (STXM) imaging introduces significant errors in qualitative and quantitative image analysis. Due to the complex origin of the noise, it is difficult to avoid Moiré pattern noise during the image data acquisition stage. In this paper, we introduce a post-processing method for filtering Moiré pattern noise from STXM images. This method includes a semi-automatic detection of the spectral peaks in the Fourier amplitude spectrum by using a local median filter, and elimination of the spectral noise peaks using a Gaussian notch filter. The proposed median-Gaussian filtering framework shows good results for STXM images with the size of power of two, if such parameters as threshold, sizes of the median and Gaussian filters, and size of the low frequency window, have been properly selected. Copyright © 2011 Elsevier Ltd. All rights reserved.

A long-term study of the impact of solar flares on ionospheric characteristics measured by digisondes and GNSS receivers

NASA Astrophysics Data System (ADS)

Tripathi, Sharad Chandra; Haralambous, Haris; Das, Tanmay

2016-07-01

Solar Flares are highly transient phenomena radiating over a wide spectrum of wavelengths with EUV and X-rays imposing the most significant effect on ionospheric characteristics. This study presents an attempt to examine qualitatively and quantitatively these effects as measured by digisondes and GNSS receivers on a global scale. For this purpose we have divided the whole globe in three sectors (American, African-European and Asian) based on longitude. We have extracted data for ionospheric characteristics by scaling, manually, the ionograms being provided by DIDBase (Digital Ionogram Database) as provided by the Global Ionospheric Radio Observatory (GIRO) during X-class flares for an approximate period of a solar cycle . We have also used TEC data extracted from GPS observations from collocated IGS Stations. Spectral analysis of Solar Flares are added to the methodology to compare the effects in terms of spectral characteristics.

Atmospheric correction for remote sensing image based on multi-spectral information

NASA Astrophysics Data System (ADS)

Wang, Yu; He, Hongyan; Tan, Wei; Qi, Wenwen

2018-03-01

The light collected from remote sensors taken from space must transit through the Earth's atmosphere. All satellite images are affected at some level by lightwave scattering and absorption from aerosols, water vapor and particulates in the atmosphere. For generating high-quality scientific data, atmospheric correction is required to remove atmospheric effects and to convert digital number (DN) values to surface reflectance (SR). Every optical satellite in orbit observes the earth through the same atmosphere, but each satellite image is impacted differently because atmospheric conditions are constantly changing. A physics-based detailed radiative transfer model 6SV requires a lot of key ancillary information about the atmospheric conditions at the acquisition time. This paper investigates to achieve the simultaneous acquisition of atmospheric radiation parameters based on the multi-spectral information, in order to improve the estimates of surface reflectance through physics-based atmospheric correction. Ancillary information on the aerosol optical depth (AOD) and total water vapor (TWV) derived from the multi-spectral information based on specific spectral properties was used for the 6SV model. The experimentation was carried out on images of Sentinel-2, which carries a Multispectral Instrument (MSI), recording in 13 spectral bands, covering a wide range of wavelengths from 440 up to 2200 nm. The results suggest that per-pixel atmospheric correction through 6SV model, integrating AOD and TWV derived from multispectral information, is better suited for accurate analysis of satellite images and quantitative remote sensing application.

SPLAT: Using Spectral Indices to Identify and Characterize Ultracool Stars, Brown Dwarfs and Exoplanets in Deep Surveys and as Companions to Nearby Stars

NASA Astrophysics Data System (ADS)

Aganze, Christian; Burgasser, Adam J.; Martin, Eduardo; Konopacky, Quinn; Masters, Daniel C.

2016-06-01

The majority of ultracool dwarf stars and brown dwarfs currently known were identified in wide-field red optical and infrared surveys, enabling measures of the local, typically isolated, population in a relatively shallow (<100 pc radius) volume. Constraining the properties of the wider Galactic population (scale height, radial distribution, Population II sources), and close brown dwarf and exoplanet companions to nearby stars, requires specialized instrumentation, such as high-contrast, coronagraphic spectrometers (e.g., Gemini/GPI, VLT/Sphere, Project 1640); and deep spectral surveys (e.g., HST/WFC3 parallel fields, Euclid). We present a set of quantitative methodologies to identify and robustly characterize sources for these specific populations, based on templates and tools developed as part of the SpeX Prism Library Analysis Toolkit. In particular, we define and characterize specifically-tuned sets spectral indices that optimize selection of cool dwarfs and distinguish rare populations (subdwarfs, young planetary-mass objects) based on low-resolution, limited-wavelength-coverage spectral data; and present a template-matching classification method for these instruments. We apply these techniques to HST/WFC3 parallel fields data in the WISPS and HST-3D programs, where our spectral index set allows high completeness and low contamination for searches of late M, L and T dwarfs to distances out to ~3 kpc.The material presented here is based on work supported by the National Aeronautics and Space Administration under Grant No. NNX15AI75G.

Variety identification of brown sugar using short-wave near infrared spectroscopy and multivariate calibration

NASA Astrophysics Data System (ADS)

Yang, Haiqing; Wu, Di; He, Yong

2007-11-01

Near-infrared spectroscopy (NIRS) with the characteristics of high speed, non-destructiveness, high precision and reliable detection data, etc. is a pollution-free, rapid, quantitative and qualitative analysis method. A new approach for variety discrimination of brown sugars using short-wave NIR spectroscopy (800-1050nm) was developed in this work. The relationship between the absorbance spectra and brown sugar varieties was established. The spectral data were compressed by the principal component analysis (PCA). The resulting features can be visualized in principal component (PC) space, which can lead to discovery of structures correlative with the different class of spectral samples. It appears to provide a reasonable variety clustering of brown sugars. The 2-D PCs plot obtained using the first two PCs can be used for the pattern recognition. Least-squares support vector machines (LS-SVM) was applied to solve the multivariate calibration problems in a relatively fast way. The work has shown that short-wave NIR spectroscopy technique is available for the brand identification of brown sugar, and LS-SVM has the better identification ability than PLS when the calibration set is small.

Evaluation of SLAR and thematic mapper MSS data for forest cover mapping using computer-aided analysis techniques

NASA Technical Reports Server (NTRS)

Hoffer, R. M. (Principal Investigator); Knowlton, D. J.; Dean, M. E.

1981-01-01

Supervised and cluster block training statistics were used to analyze the thematic mapper simulation MSS data (both 1979 and 1980 data sets). Cover information classes identified on SAR imagery include: hardwood, pine, mixed pine hardwood, clearcut, pasture, crops, emergent crops, bare soil, urban, and water. Preliminary analysis of the HH and HV polarized SAR data indicate a high variance associated with each information class except for water and bare soil. The large variance for most spectral classes suggests that while the means might be statistically separable, an overlap may exist between the classes which could introduce a significant classification error. The quantitative values of many cover types are much larger on the HV polarization than on the HH, thereby indicating the relative nature of the digitized data values. The mean values of the spectral classes in the areas with larger look angles are greater than the means of the same cover type in other areas having steeper look angles. Difficulty in accurately overlaying the dual polarization of the SAR data was resolved.

Radiometric assessment method for diffraction effects in hyperspectral imagers applied to the earth explorer #8 mission candidate flex

NASA Astrophysics Data System (ADS)

Berlich, R.; Harnisch, B.

2017-11-01

An accurate stray light analysis represents a crucial part in the early design phase of hyperspectral imaging systems, since scattering effects can severely limit the radiometric accuracy performance. In addition to conventional contributors including ghost images and surface scattering, i.e. caused by a residual surface micro-roughness and particle contamination, diffraction effects can result in significant radiometric errors in the spatial and spectral domain of pushbroom scanners. In this paper, we present a mathematical approach that efficiently evaluates these diffraction effects based on a Fourier analysis. It is shown that considering the conventional diffraction at the systems entrance pupil only, significantly overestimates the stray light contribution. In fact, a correct assessment necessitates taking into account the joint influence of the entrance pupil, the spectrometer slit as well as the dispersion element. We quantitatively investigate the corresponding impact on the Instrument Spectral Response Function (ISRF) of the Earth Explorer #8 Mission Candidate FLEX and analyse the expected radiometric error distribution for a typical earth observation scenario requirement.

In vivo and in vitro hyperspectral imaging of cervical neoplasia

NASA Astrophysics Data System (ADS)

Wang, Chaojian; Zheng, Wenli; Bu, Yanggao; Chang, Shufang; Tong, Qingping; Zhang, Shiwu; Xu, Ronald X.

2014-02-01

Cervical cancer is a prevalent disease in many developing countries. Colposcopy is the most common approach for screening cervical intraepithelial neoplasia (CIN). However, its clinical efficacy heavily relies on the examiner's experience. Spectroscopy is a potentially effective method for noninvasive diagnosis of cervical neoplasia. In this paper, we introduce a hyperspectral imaging technique for noninvasive detection and quantitative analysis of cervical neoplasia. A hyperspectral camera is used to collect the reflectance images of the entire cervix under xenon lamp illumination, followed by standard colposcopy examination and cervical tissue biopsy at both normal and abnormal sites in different quadrants. The collected reflectance data are calibrated and the hyperspectral signals are extracted. Further spectral analysis and image processing works are carried out to classify tissue into different types based on the spectral characteristics at different stages of cervical intraepithelial neoplasia. The hyperspectral camera is also coupled with a lab microscope to acquire the hyperspectral transmittance images of the pathological slides. The in vivo and the in vitro imaging results are compared with clinical findings to assess the accuracy and efficacy of the method.

Quantitative Analysis of En Face Spectral-Domain Optical Coherence Tomography Imaging in Polypoidal Choroidal Vasculopathy.

PubMed

Simonett, Joseph M; Chan, Errol W; Chou, Jonathan; Skondra, Dimitra; Colon, Daniel; Chee, Caroline K; Lingam, Gopal; Fawzi, Amani A

2017-02-01

Spectral-domain optical coherence tomography (SD-OCT) imaging can be used to visualize polypoidal choroidal vasculopathy (PCV) lesions in the en face plane. Here, the authors describe a novel lesion quantification technique and compare PCV lesion area measurements and morphology before and after anti-vascular endothelial growth factor (VEGF) treatment. Volumetric SD-OCT scans in eyes with PCV before and after induction anti-VEGF therapy were retrospectively analyzed. En face SD-OCT images were generated and a pixel intensity thresholding process was used to quantify total lesion area. Thirteen eyes with PCV were analyzed. En face SD-OCT PCV lesion area quantification showed good intergrader reliability (intraclass correlation coefficient = 0.944). Total PCV lesion area was significantly reduced after anti-VEGF therapy (2.22 mm 2 vs. 2.73 mm 2 ; P = .02). The overall geographic pattern of the branching vascular network was typically preserved. PCV lesion area analysis using en face SD-OCT is a reproducible tool that can quantify treatment related changes. [Ophthalmic Surg Lasers Imaging Retina. 2017;48:126-133.]. Copyright 2017, SLACK Incorporated.

Quantitative comparison between full-spectrum and filter-based imaging in hyperspectral fluorescence microscopy

PubMed Central

GAO, L.; HAGEN, N.; TKACZYK, T.S.

2012-01-01

Summary We implement a filterless illumination scheme on a hyperspectral fluorescence microscope to achieve full-range spectral imaging. The microscope employs polarisation filtering, spatial filtering and spectral unmixing filtering to replace the role of traditional filters. Quantitative comparisons between full-spectrum and filter-based microscopy are provided in the context of signal dynamic range and accuracy of measured fluorophores’ emission spectra. To show potential applications, a five-colour cell immunofluorescence imaging experiment is theoretically simulated. Simulation results indicate that the use of proposed full-spectrum imaging technique may result in three times improvement in signal dynamic range compared to that can be achieved in the filter-based imaging. PMID:22356127

A-TEEMTM, a new molecular fingerprinting technique: simultaneous absorbance-transmission and fluorescence excitation-emission matrix method

NASA Astrophysics Data System (ADS)

Quatela, Alessia; Gilmore, Adam M.; Steege Gall, Karen E.; Sandros, Marinella; Csatorday, Karoly; Siemiarczuk, Alex; (Ben Yang, Boqian; Camenen, Loïc

2018-04-01

We investigate the new simultaneous absorbance-transmission and fluorescence excitation-emission matrix method for rapid and effective characterization of the varying components from a mixture. The absorbance-transmission and fluorescence excitation-emission matrix method uniquely facilitates correction of fluorescence inner-filter effects to yield quantitative fluorescence spectral information that is largely independent of component concentration. This is significant because it allows one to effectively monitor quantitative component changes using multivariate methods and to generate and evaluate spectral libraries. We present the use of this novel instrument in different fields: i.e. tracking changes in complex mixtures including natural water, wine as well as monitoring stability and aggregation of hormones for biotherapeutics.

Quantitative Measurement of Protease-Activity with Correction of Probe Delivery and Tissue Absorption Effects

PubMed Central

Salthouse, Christopher D.; Reynolds, Fred; Tam, Jenny M.; Josephson, Lee; Mahmood, Umar

2009-01-01

Proteases play important roles in a variety of pathologies from heart disease to cancer. Quantitative measurement of protease activity is possible using a novel spectrally matched dual fluorophore probe and a small animal lifetime imager. The recorded fluorescence from an activatable fluorophore, one that changes its fluorescent amplitude after biological target interaction, is also influenced by other factors including imaging probe delivery and optical tissue absorption of excitation and emission light. Fluorescence from a second spectrally matched constant (non-activatable) fluorophore on each nanoparticle platform can be used to correct for both probe delivery and tissue absorption. The fluorescence from each fluorophore is separated using fluorescence lifetime methods. PMID:20161242

The role of 3-D interactive visualization in blind surveys of H I in galaxies

NASA Astrophysics Data System (ADS)

Punzo, D.; van der Hulst, J. M.; Roerdink, J. B. T. M.; Oosterloo, T. A.; Ramatsoku, M.; Verheijen, M. A. W.

2015-09-01

Upcoming H I surveys will deliver large datasets, and automated processing using the full 3-D information (two positional dimensions and one spectral dimension) to find and characterize H I objects is imperative. In this context, visualization is an essential tool for enabling qualitative and quantitative human control on an automated source finding and analysis pipeline. We discuss how Visual Analytics, the combination of automated data processing and human reasoning, creativity and intuition, supported by interactive visualization, enables flexible and fast interaction with the 3-D data, helping the astronomer to deal with the analysis of complex sources. 3-D visualization, coupled to modeling, provides additional capabilities helping the discovery and analysis of subtle structures in the 3-D domain. The requirements for a fully interactive visualization tool are: coupled 1-D/2-D/3-D visualization, quantitative and comparative capabilities, combined with supervised semi-automated analysis. Moreover, the source code must have the following characteristics for enabling collaborative work: open, modular, well documented, and well maintained. We review four state of-the-art, 3-D visualization packages assessing their capabilities and feasibility for use in the case of 3-D astronomical data.

Optimal design of waveform digitisers for both energy resolution and pulse shape discrimination

NASA Astrophysics Data System (ADS)

Cang, Jirong; Xue, Tao; Zeng, Ming; Zeng, Zhi; Ma, Hao; Cheng, Jianping; Liu, Yinong

2018-04-01

Fast digitisers and digital pulse processing have been widely used for spectral application and pulse shape discrimination (PSD) owing to their advantages in terms of compactness, higher trigger rates, offline analysis, etc. Meanwhile, the noise of readout electronics is usually trivial for organic, plastic, or liquid scintillator with PSD ability because of their poor intrinsic energy resolution. However, LaBr3(Ce) has been widely used for its excellent energy resolution and has been proven to have PSD ability for alpha/gamma particles. Therefore, designing a digital acquisition system for such scintillators as LaBr3(Ce) with both optimal energy resolution and promising PSD ability is worthwhile. Several experimental research studies about the choice of digitiser properties for liquid scintillators have already been conducted in terms of the sampling rate and vertical resolution. Quantitative analysis on the influence of waveform digitisers, that is, fast amplifier (optional), sampling rates, and vertical resolution, on both applications is still lacking. The present paper provides quantitative analysis of these factors and, hence, general rules about the optimal design of digitisers for both energy resolution and PSD application according to the noise analysis of time-variant gated charge integration.

New approaches to the analysis of complex samples using fluorescence lifetime techniques and organized media

DOE Office of Scientific and Technical Information (OSTI.GOV)

Hertz, P.R.

Fluorescence spectroscopy is a highly sensitive and selective tool for the analysis of complex systems. In order to investigate the efficacy of several steady state and dynamic techniques for the analysis of complex systems, this work focuses on two types of complex, multicomponent samples: petrolatums and coal liquids. It is shown in these studies dynamic, fluorescence lifetime-based measurements provide enhanced discrimination between complex petrolatum samples. Additionally, improved quantitative analysis of multicomponent systems is demonstrated via incorporation of organized media in coal liquid samples. This research provides the first systematic studies of (1) multifrequency phase-resolved fluorescence spectroscopy for dynamic fluorescence spectralmore » fingerprinting of complex samples, and (2) the incorporation of bile salt micellar media to improve accuracy and sensitivity for characterization of complex systems. In the petroleum studies, phase-resolved fluorescence spectroscopy is used to combine spectral and lifetime information through the measurement of phase-resolved fluorescence intensity. The intensity is collected as a function of excitation and emission wavelengths, angular modulation frequency, and detector phase angle. This multidimensional information enhances the ability to distinguish between complex samples with similar spectral characteristics. Examination of the eigenvalues and eigenvectors from factor analysis of phase-resolved and steady state excitation-emission matrices, using chemometric methods of data analysis, confirms that phase-resolved fluorescence techniques offer improved discrimination between complex samples as compared with conventional steady state methods.« less

5-ALA induced fluorescent image analysis of actinic keratosis

NASA Astrophysics Data System (ADS)

Cho, Yong-Jin; Bae, Youngwoo; Choi, Eung-Ho; Jung, Byungjo

2010-02-01

In this study, we quantitatively analyzed 5-ALA induced fluorescent images of actinic keratosis using digital fluorescent color and hyperspectral imaging modalities. UV-A was utilized to induce fluorescent images and actinic keratosis (AK) lesions were demarcated from surrounding the normal region with different methods. Eight subjects with AK lesion were participated in this study. In the hyperspectral imaging modality, spectral analysis method was utilized for hyperspectral cube image and AK lesions were demarcated from the normal region. Before image acquisition, we designated biopsy position for histopathology of AK lesion and surrounding normal region. Erythema index (E.I.) values on both regions were calculated from the spectral cube data. Image analysis of subjects resulted in two different groups: the first group with the higher fluorescence signal and E.I. on AK lesion than the normal region; the second group with lower fluorescence signal and without big difference in E.I. between two regions. In fluorescent color image analysis of facial AK, E.I. images were calculated on both normal and AK lesions and compared with the results of hyperspectral imaging modality. The results might indicate that the different intensity of fluorescence and E.I. among the subjects with AK might be interpreted as different phases of morphological and metabolic changes of AK lesions.

Dynamic Changes in Spectral and Spatial Signatures of High Frequency Oscillations in Rat Hippocampi during Epileptogenesis in Acute and Chronic Stages.

PubMed

Song, Pan-Pan; Xiang, Jing; Jiang, Li; Chen, Heng-Sheng; Liu, Ben-Ke; Hu, Yue

2016-01-01

To analyze spectral and spatial signatures of high frequency oscillations (HFOs), which include ripples and fast ripples (FRs, >200 Hz) by quantitatively assessing average and peak spectral power in a rat model of different stages of epileptogenesis. The lithium-pilocarpine model of temporal lobe epilepsy was used. The acute phase of epilepsy was assessed by recording intracranial electroencephalography (EEG) activity for 1 day after status epilepticus (SE). The chronic phase of epilepsy, including spontaneous recurrent seizures (SRSs), was assessed by recording EEG activity for 28 days after SE. Average and peak spectral power of five frequency bands of EEG signals in CA1, CA3, and DG regions of the hippocampus were analyzed with wavelet and digital filter. FRs occurred in the hippocampus in the animal model. Significant dynamic changes in the spectral power of FRS were identified in CA1 and CA3. The average spectral power of ripples increased at 20 min before SE ( p  < 0.05), peaked at 10 min before diazepam injection. It decreased at 10 min after diazepam ( p  < 0.05) and returned to baseline after 1 h. The average spectral power of FRs increased at 30 min before SE ( p  < 0.05) and peaked at 10 min before diazepam. It decreased at 10 min after diazepam ( p  < 0.05) and returned to baseline at 2 h after injection. The dynamic changes were similar between average and peak spectral power of FRs. Average and peak spectral power of both ripples and FRs in the chronic phase showed a gradual downward trend compared with normal rats 14 days after SE. The spectral power of HFOs may be utilized to distinguish between normal and pathologic HFOs. Ictal average and peak spectral power of FRs were two parameters for predicting acute epileptic seizures, which could be used as a new quantitative biomarker and early warning marker of seizure. Changes in interictal HFOs power in the hippocampus at the chronic stage may be not related to seizure occurrence.

Quantitative EEG Metrics Differ Between Outcome Groups and Change Over the First 72 h in Comatose Cardiac Arrest Patients.

PubMed

Wiley, Sara Leingang; Razavi, Babak; Krishnamohan, Prashanth; Mlynash, Michael; Eyngorn, Irina; Meador, Kimford J; Hirsch, Karen G

2018-02-01

Forty to sixty-six percent of patients resuscitated from cardiac arrest remain comatose, and historic outcome predictors are unreliable. Quantitative spectral analysis of continuous electroencephalography (cEEG) may differ between patients with good and poor outcomes. Consecutive patients with post-cardiac arrest hypoxic-ischemic coma undergoing cEEG were enrolled. Spectral analysis was conducted on artifact-free contiguous 5-min cEEG epochs from each hour. Whole band (1-30 Hz), delta (δ, 1-4 Hz), theta (θ, 4-8 Hz), alpha (α, 8-13 Hz), beta (β, 13-30 Hz), α/δ power ratio, percent suppression, and variability were calculated and correlated with outcome. Graphical patterns of quantitative EEG (qEEG) were described and categorized as correlating with outcome. Clinical outcome was dichotomized, with good neurologic outcome being consciousness recovery. Ten subjects with a mean age = 50 yrs (range = 18-65) were analyzed. There were significant differences in total power (3.50 [3.30-4.06] vs. 0.68 [0.52-1.02], p = 0.01), alpha power (1.39 [0.66-1.79] vs 0.27 [0.17-0.48], p < 0.05), delta power (2.78 [2.21-3.01] vs 0.55 [0.38-0.83], p = 0.01), percent suppression (0.66 [0.02-2.42] vs 73.4 [48.0-97.5], p = 0.01), and multiple measures of variability between good and poor outcome patients (all values median [IQR], good vs. poor). qEEG patterns with high or increasing power or large power variability were associated with good outcome (n = 6). Patterns with consistently low or decreasing power or minimal power variability were associated with poor outcome (n = 4). These preliminary results suggest qEEG metrics correlate with outcome. In some patients, qEEG patterns change over the first three days post-arrest.

Intraoperative microscope-mounted spectral domain optical coherence tomography for evaluation of retinal anatomy during macular surgery.

PubMed

Ray, Robin; Barañano, David E; Fortun, Jorge A; Schwent, Bryan J; Cribbs, Blaine E; Bergstrom, Chris S; Hubbard, G Baker; Srivastava, Sunil K

2011-11-01

To evaluate the use of microscope mounted spectral domain optical coherence tomography (SD-OCT) to detect changes in retinal anatomy during macular surgery. Retrospective, observational case series. We included 25 eyes of 24 consecutive patients who underwent SD-OCT during macular surgery. A retrospective review of operative techniques, outcomes, and imaging for all patients who underwent intraoperative microscope mounted SD-OCT during surgery for macular hole or epiretinal membrane (ERM) from April 2009 to April 2010 was performed. Qualitative and quantitative characteristics of intraoperative and postoperative changes in retinal anatomy were studied. Intraoperative change in macular hole dimensions and retinal thickness in patients with ERM owing to surgical manipulation measured using SD-OCT. Intraoperative SD-OCT from 13 eyes of 13 patients undergoing surgery for macular hole was reviewed. Two cases had images of suboptimal quality and were excluded. The remaining 11 eyes were subjected to quantitative analysis, which revealed stability of macular hole height and central hole diameter after internal limiting membrane (ILM) peeling, but an increase in the diameter of subretinal fluid under the macula in ten of 11 eyes (average 87% wider). Intraoperative imaging from 12 eyes of 11 patients undergoing surgery for ERM was analyzed. Quantitative analysis revealed an average increase of retinal thickness after ILM peel of <2%. Ten of 12 eyes developed a new subretinal hyporeflectance, which likely represents shallow detachment of the macula, after uncomplicated membrane peel. Use of intraoperative SD-OCT has provided new insight into the changes to retinal anatomy during macular surgery and may prove to be a useful tool for vitreoretinal surgery. Further study is warranted to determine whether intraoperative changes such as the creation of shallow retinal detachments during uncomplicated macular surgery affects visual recovery. Proprietary or commercial disclosure may be found after the references. Copyright © 2011 American Academy of Ophthalmology. Published by Elsevier Inc. All rights reserved.

Quantification of whispering gallery mode spectrum variability in application to sensing nanobiophotonics

NASA Astrophysics Data System (ADS)

Saetchnikov, Anton; Skakun, Victor; Saetchnikov, Vladimir; Tcherniavskaia, Elina; Ostendorf, Andreas

2017-10-01

An approach for the automated whispering gallery mode (WGM) signal decomposition and its parameter estimation is discussed. The algorithm is based on the peak picking and can be applied for the preprocessing of the raw signal acquired from the multiplied WGM-based biosensing chips. Quantitative estimations representing physically meaningful parameters of the external disturbing factors on the WGM spectral shape are the output values. Derived parameters can be directly applied to the further deep qualitative and quantitative interpretations of the sensed disturbing factors. The algorithm is tested on both simulated and experimental data taken from the bovine serum albumin biosensing task. The proposed solution is expected to be a useful contribution to the preprocessing phase of the complete data analysis engine and is expected to push the WGM technology toward the real-live sensing nanobiophotonics.

Quantitative assessment of submicron scale anisotropy in tissue multifractality by scattering Mueller matrix in the framework of Born approximation

NASA Astrophysics Data System (ADS)

Das, Nandan Kumar; Dey, Rajib; Chakraborty, Semanti; Panigrahi, Prasanta K.; Meglinski, Igor; Ghosh, Nirmalya

2018-04-01

A number of tissue-like disordered media exhibit local anisotropy of scattering in the scaling behavior. Scaling behavior contains wealth of fractal or multifractal properties. We demonstrate that the spatial dielectric fluctuations in a sample of biological tissue exhibit multifractal anisotropy. Multifractal anisotropy encoded in the wavelength variation of the light scattering Mueller matrix and manifesting as an intriguing spectral diattenuation effect. We developed an inverse method for the quantitative assessment of the multifractal anisotropy. The method is based on the processing of relevant Mueller matrix elements in Fourier domain by using Born approximation, followed by the multifractal analysis. The approach promises for probing subtle micro-structural changes in biological tissues associated with the cancer and precancer, as well as for non-destructive characterization of a wide range of scattering materials.

Discrimination of natural and cultivated vegetation using Thematic Mapper spectral data

NASA Technical Reports Server (NTRS)

Degloria, Stephen D.; Bernstein, Ralph; Dizenzo, Silvano

1986-01-01

The availability of high quality spectral data from the current suite of earth observation satellite systems offers significant improvements in the ability to survey and monitor food and fiber production on both a local and global basis. Current research results indicate that Landsat TM data when used in either digital or analog formats achieve higher land-cover classification accuracies than MSS data using either comparable or improved spectral bands and spatial resolution. A review of these quantitative results is presented for both natural and cultivated vegetation.

Ratiometric Raman Spectroscopy for Quantification of Protein Oxidative Damage

PubMed Central

Jiang, Dongping; Yanney, Michael; Zou, Sige; Sygula, Andrzej

2009-01-01

A novel ratiometric Raman spectroscopic (RMRS) method has been developed for quantitative determination of protein carbonyl levels. Oxidized bovine serum albumin (BSA) and oxidized lysozyme were used as model proteins to demonstrate this method. The technique involves conjugation of protein carbonyls with dinitrophenyl hydrazine (DNPH), followed by drop coating deposition Raman spectral acquisition (DCDR). The RMRS method is easy to implement as it requires only one conjugation reaction, a single spectral acquisition, and does not require sample calibration. Characteristic peaks from both protein and DNPH moieties are obtained in a single spectral acquisition, allowing the protein carbonyl level to be calculated from the peak intensity ratio. Detection sensitivity for the RMRS method is ~0.33 pmol carbonyl/measurement. Fluorescence and/or immunoassay based techniques only detect a signal from the labeling molecule and thus yield no structural or quantitative information for the modified protein while the RMRS technique provides for protein identification and protein carbonyl quantification in a single experiment. PMID:19457432

Multi-scale spectrally resolved quantitative fluorescence imaging system: towards neurosurgical guidance in glioma resection

NASA Astrophysics Data System (ADS)

Xie, Yijing; Thom, Maria; Miserocchi, Anna; McEvoy, Andrew W.; Desjardins, Adrien; Ourselin, Sebastien; Vercauteren, Tom

2017-02-01

In glioma resection surgery, the detection of tumour is often guided by using intraoperative fluorescence imaging notably with 5-ALA-PpIX, providing fluorescent contrast between normal brain tissue and the gliomas tissue to achieve improved tumour delineation and prolonged patient survival compared with the conventional white-light guided resection. However, the commercially available fluorescence imaging system relies on surgeon's eyes to visualise and distinguish the fluorescence signals, which unfortunately makes the resection subjective. In this study, we developed a novel multi-scale spectrally-resolved fluorescence imaging system and a computational model for quantification of PpIX concentration. The system consisted of a wide-field spectrally-resolved quantitative imaging device and a fluorescence endomicroscopic imaging system enabling optical biopsy. Ex vivo animal tissue experiments as well as human tumour sample studies demonstrated that the system was capable of specifically detecting the PpIX fluorescent signal and estimate the true concentration of PpIX in brain specimen.

High-speed quantitative phase imaging using time-stretch spectral shearing contrast (Conference Presentation)

NASA Astrophysics Data System (ADS)

Bosworth, Bryan; Foster, Mark A.

2017-02-01

Photonic time-stretch microscopy (TSM) provides an ideal platform for high-throughput imaging flow cytometry, affording extremely high shutter speeds and frame rates with high sensitivity. In order to resolve weakly scattering cells in biofluid and solve the issue of signal-to-noise in cell labeling specificity of biomarkers in imaging flow cytometry, several quantitative phase (QP) techniques have recently been adapted to TSM. However, these techniques have relied primarily on sensitive free-space optical configurations to generate full electric field measurements. The present work draws from the field of ultrashort pulse characterization to leverage the coherence of the ultrashort optical pulses integral to all TSM systems in order to do self-referenced single-shot quantitative phase imaging in a TSM system. Self-referencing is achieved via spectral shearing interferometry in an exceptionally stable and straightforward Sagnac loop incorporating an electro-optic phase modulator and polarization-maintaining fiber that produce sheared and unsheared copies of the pulse train with an inter-pulse delay determined by polarization mode dispersion. The spectral interferogram then yields a squared amplitude and a phase derivative image that can be integrated for conventional phase. We apply this spectral shearing contrast microscope to acquire QP images on a high-speed flow microscope at 90-MHz line rates with <400 pixels per line. We also consider the extension of this technique to compressed sensing (CS) acquisition by intensity modulating the interference spectra with pseudorandom binary waveforms to reconstruct the images from a highly sub-Nyquist number of random inner products, providing a path to even higher operating rates and reduced data storage requirements.

Simple and fast spectral domain algorithm for quantitative phase imaging of living cells with digital holographic microscopy

NASA Astrophysics Data System (ADS)

Min, Junwei; Yao, Baoli; Ketelhut, Steffi; Kemper, Björn

2017-02-01

The modular combination of optical microscopes with digital holographic microscopy (DHM) has been proven to be a powerful tool for quantitative live cell imaging. The introduction of condenser and different microscope objectives (MO) simplifies the usage of the technique and makes it easier to measure different kinds of specimens with different magnifications. However, the high flexibility of illumination and imaging also causes variable phase aberrations that need to be eliminated for high resolution quantitative phase imaging. The existent phase aberrations compensation methods either require add additional elements into the reference arm or need specimen free reference areas or separate reference holograms to build up suitable digital phase masks. These inherent requirements make them unpractical for usage with highly variable illumination and imaging systems and prevent on-line monitoring of living cells. In this paper, we present a simple numerical method for phase aberration compensation based on the analysis of holograms in spatial frequency domain with capabilities for on-line quantitative phase imaging. From a single shot off-axis hologram, the whole phase aberration can be eliminated automatically without numerical fitting or pre-knowledge of the setup. The capabilities and robustness for quantitative phase imaging of living cancer cells are demonstrated.

Spectral identification and quantification of salts in the Atacama Desert

NASA Astrophysics Data System (ADS)

Harris, J. K.; Cousins, C. R.; Claire, M. W.

2016-10-01

Salt minerals are an important natural resource. The ability to quickly and remotely identify and quantify salt deposits and salt contaminated soils and sands is therefore a priority goal for the various industries and agencies that utilise salts. The advent of global hyperspectral imagery from instruments such as Hyperion on NASA's Earth-Observing 1 satellite has opened up a new source of data that can potentially be used for just this task. This study aims to assess the ability of Visible and Near Infrared (VNIR) spectroscopy to identify and quantify salt minerals through the use of spectral mixture analysis. The surface and near-surface soils of the Atacama Desert in Chile contain a variety of well-studied salts, which together with low cloud coverage, and high aridity, makes this region an ideal testbed for this technique. Two forms of spectral data ranging 0.35 - 2.5 μm were collected: laboratory spectra acquired using an ASD FieldSpec Pro instrument on samples from four locations in the Atacama desert known to have surface concentrations of sulfates, nitrates, chlorides and perchlorates; and images from the EO-1 satellite's Hyperion instrument taken over the same four locations. Mineral identifications and abundances were confirmed using quantitative XRD of the physical samples. Spectral endmembers were extracted from within the laboratory and Hyperion spectral datasets and together with additional spectral library endmembers fed into a linear mixture model. The resulting identification and abundances from both dataset types were verified against the sample XRD values. Issues of spectral scale, SNR and how different mineral spectra interact are considered, and the utility of VNIR spectroscopy and Hyperion in particular for mapping specific salt concentrations in desert environments is established. Overall, SMA was successful at estimating abundances of sulfate minerals, particularly calcium sulfate, from both hyperspectral image and laboratory sample spectra, while abundance estimation of other salt phase spectral end-members was achieved with a higher degree of error.

Assessing FRET using Spectral Techniques

PubMed Central

Leavesley, Silas J.; Britain, Andrea L.; Cichon, Lauren K.; Nikolaev, Viacheslav O.; Rich, Thomas C.

2015-01-01

Förster resonance energy transfer (FRET) techniques have proven invaluable for probing the complex nature of protein–protein interactions, protein folding, and intracellular signaling events. These techniques have traditionally been implemented with the use of one or more fluorescence band-pass filters, either as fluorescence microscopy filter cubes, or as dichroic mirrors and band-pass filters in flow cytometry. In addition, new approaches for measuring FRET, such as fluorescence lifetime and acceptor photobleaching, have been developed. Hyperspectral techniques for imaging and flow cytometry have also shown to be promising for performing FRET measurements. In this study, we have compared traditional (filter-based) FRET approaches to three spectral-based approaches: the ratio of acceptor-to-donor peak emission, linear spectral unmixing, and linear spectral unmixing with a correction for direct acceptor excitation. All methods are estimates of FRET efficiency, except for one-filter set and three-filter set FRET indices, which are included for consistency with prior literature. In the first part of this study, spectrofluorimetric data were collected from a CFP–Epac–YFP FRET probe that has been used for intracellular cAMP measurements. All comparisons were performed using the same spectrofluorimetric datasets as input data, to provide a relevant comparison. Linear spectral unmixing resulted in measurements with the lowest coefficient of variation (0.10) as well as accurate fits using the Hill equation. FRET efficiency methods produced coefficients of variation of less than 0.20, while FRET indices produced coefficients of variation greater than 8.00. These results demonstrate that spectral FRET measurements provide improved response over standard, filter-based measurements. Using spectral approaches, single-cell measurements were conducted through hyperspectral confocal microscopy, linear unmixing, and cell segmentation with quantitative image analysis. Results from these studies confirmed that spectral imaging is effective for measuring subcellular, time-dependent FRET dynamics and that additional fluorescent signals can be readily separated from FRET signals, enabling multilabel studies of molecular interactions. PMID:23929684

Assessing FRET using spectral techniques.

PubMed

Leavesley, Silas J; Britain, Andrea L; Cichon, Lauren K; Nikolaev, Viacheslav O; Rich, Thomas C

2013-10-01

Förster resonance energy transfer (FRET) techniques have proven invaluable for probing the complex nature of protein-protein interactions, protein folding, and intracellular signaling events. These techniques have traditionally been implemented with the use of one or more fluorescence band-pass filters, either as fluorescence microscopy filter cubes, or as dichroic mirrors and band-pass filters in flow cytometry. In addition, new approaches for measuring FRET, such as fluorescence lifetime and acceptor photobleaching, have been developed. Hyperspectral techniques for imaging and flow cytometry have also shown to be promising for performing FRET measurements. In this study, we have compared traditional (filter-based) FRET approaches to three spectral-based approaches: the ratio of acceptor-to-donor peak emission, linear spectral unmixing, and linear spectral unmixing with a correction for direct acceptor excitation. All methods are estimates of FRET efficiency, except for one-filter set and three-filter set FRET indices, which are included for consistency with prior literature. In the first part of this study, spectrofluorimetric data were collected from a CFP-Epac-YFP FRET probe that has been used for intracellular cAMP measurements. All comparisons were performed using the same spectrofluorimetric datasets as input data, to provide a relevant comparison. Linear spectral unmixing resulted in measurements with the lowest coefficient of variation (0.10) as well as accurate fits using the Hill equation. FRET efficiency methods produced coefficients of variation of less than 0.20, while FRET indices produced coefficients of variation greater than 8.00. These results demonstrate that spectral FRET measurements provide improved response over standard, filter-based measurements. Using spectral approaches, single-cell measurements were conducted through hyperspectral confocal microscopy, linear unmixing, and cell segmentation with quantitative image analysis. Results from these studies confirmed that spectral imaging is effective for measuring subcellular, time-dependent FRET dynamics and that additional fluorescent signals can be readily separated from FRET signals, enabling multilabel studies of molecular interactions. © 2013 International Society for Advancement of Cytometry. Copyright © 2013 International Society for Advancement of Cytometry.

A novel spectral imaging system for quantitative analysis of hypertrophic scar

NASA Astrophysics Data System (ADS)

Ghassemi, Pejhman; Shupp, Jeffrey W.; Moffatt, Lauren T.; Ramella-Roman, Jessica C.

2013-03-01

Scarring can lead to significant cosmetic, psychosocial, and functional consequences in patients with hypertrophic scars from burn and trauma injuries. Therefore, quantitative assessment of scar is needed in clinical diagnosis and treatment. The Vancouver Scar Scale (VSS), the accepted clinical scar assessment tool, was introduced in the nineties and relies only on the physician subjective evaluation of skin pliability, height, vascularity, and pigmentation. To date, no entirely objective method has been available for scar assessment. So, there is a continued need for better techniques to monitor patients with scars. We introduce a new spectral imaging system combining out-of-plane Stokes polarimetry, Spatial Frequency Domain Imaging (SFDI), and three-dimensional (3D) reconstruction. The main idea behind this system is to estimate hemoglobin and melanin contents of scar using SFDI technique, roughness and directional anisotropy features with Stokes polarimetry, and height and general shape with 3D reconstruction. Our proposed tool has several advantages compared to current methodologies. First and foremost, it is non-contact and non-invasive and thus can be used at any stage in wound healing without causing harm to the patient. Secondarily, the height, pigmentation, and hemoglobin assessments are co-registered and are based on imaging and not point measurement, allowing for more meaningful interpretation of the data. Finally, the algorithms used in the data analysis are physics based which will be very beneficial in the standardization of the technique. A swine model has also been developed for hypertrophic scarring and an ongoing pre-clinical evaluation of the technique is being conducted.

Provenance of Holocene sediment on the Chukchi-Alaskan margin based on combined diffuse spectral reflectance and quantitative X-Ray Diffraction analysis

USGS Publications Warehouse

Ortiz, J.D.; Polyak, L.; Grebmeier, J.M.; Darby, D.; Eberl, D.D.; Naidu, S.; Nof, D.

2009-01-01

Sediment clay and silt mineral assemblages provide an excellent means of assessing the provenance of fine-grained Arctic sediment especially when a unique mineral assemblage can be tied to specific source areas. The diffuse spectral reflectance (DSR) first derivative measurements and quantitative X-Ray Diffraction (qXRD) on a high-resolution sediment core from the continental slope north of Alaska constrain the sediment mineralogy. DSR results are augmented by measurements on several adjacent cores and compared to surface sediment samples from the northern Alaskan shelf and slope. Using Principal Component Analysis (PCA), we infer that the three leading DSR modes relate to mixtures of smectite + dolomite, illite + goethite, and chlorite + muscovite. This interpretation is consistent with the down core qXRD results. While the smectite + dolomite, and illite + goethite factors show increased variability down core, the chlorite + muscovite factor had highest positive loadings in the middle Holocene, between ca. 6.0 and 3.6??ka. Because the most likely source of the chlorite + muscovite suite in this vicinity lies in the North Pacific, we argue that the oscillations in chlorite + muscovite values likely reflect an increase in the inflow of Pacific water to the Arctic through the Bering Strait. The time interval of this event is associated in other parts of the globe with a non-linear response of the climate system to the decrease in insolation, which may be related to changes in water exchange between the Pacific and Arctic Ocean. ?? 2009 Elsevier B.V.

Automated Quantitative Analysis of Retinal Microvasculature in Normal Eyes on Optical Coherence Tomography Angiography.

PubMed

Lupidi, Marco; Coscas, Florence; Cagini, Carlo; Fiore, Tito; Spaccini, Elisa; Fruttini, Daniela; Coscas, Gabriel

2016-09-01

To describe a new automated quantitative technique for displaying and analyzing macular vascular perfusion using optical coherence tomography angiography (OCT-A) and to determine a normative data set, which might be used as reference in identifying progressive changes due to different retinal vascular diseases. Reliability study. A retrospective review of 47 eyes of 47 consecutive healthy subjects imaged with a spectral-domain OCT-A device was performed in a single institution. Full-spectrum amplitude-decorrelation angiography generated OCT angiograms of the retinal superficial and deep capillary plexuses. A fully automated custom-built software was used to provide quantitative data on the foveal avascular zone (FAZ) features and the total vascular and avascular surfaces. A comparative analysis between central macular thickness (and volume) and FAZ metrics was performed. Repeatability and reproducibility were also assessed in order to establish the feasibility and reliability of the method. The comparative analysis between the superficial capillary plexus and the deep capillary plexus revealed a statistically significant difference (P < .05) in terms of FAZ perimeter, surface, and major axis and a not statistically significant difference (P > .05) when considering total vascular and avascular surfaces. A linear correlation was demonstrated between central macular thickness (and volume) and the FAZ surface. Coefficients of repeatability and reproducibility were less than 0.4, thus demonstrating high intraobserver repeatability and interobserver reproducibility for all the examined data. A quantitative approach on retinal vascular perfusion, which is visible on Spectralis OCT angiography, may offer an objective and reliable method for monitoring disease progression in several retinal vascular diseases. Copyright © 2016 Elsevier Inc. All rights reserved.

Spectral analysis of femoral artery blood flow waveforms of conscious domestic cats.

PubMed

dos Reis, Gisele F M; Nogueira, Rodrigo B; Silva, Adriana C; Oberlender, Guilherme; Muzzi, Ruthnéa A L; Mantovani, Matheus M

2014-12-01

The qualitative and quantitative aspects of femoral artery blood flow waveform spectra were evaluated in 15 male and 15 female Persian and mixed breed domestic cats (Felis catus), which were healthy and not sedated, using duplex Doppler ultrasonography (DDU). Spectral Doppler demonstrated a biphasic characteristic in 16 (53.34%) of the animals evaluated, and a triphasic characteristic in the 14 (46.66%) remaining animals. The systolic blood pressure and heart rate values were within the normal range for the species. The quantitative parameters evaluated, based on the spectral Doppler, were as follows: systolic velocity peak (SVP), recent diastolic velocity peak (RDVP), end diastolic velocity peak (EDVP), mean velocity (MV), integral velocity time (ITV), artery diameter (AD), femoral flow volume (FFV), pulsatility index (PI), resistive index (RI), systolic peak acceleration time (AT) and deceleration time (DT). The respective mean values were: 36.41 ± 7.33 cm/s, 4.69 ± 0.90 cm/s, 10.74 ± 2.74 cm/s, 23.06 ± 4.86 cm/s, 3.91 ± 1.05 cm, 0.17 ± 0.04 cm, 0.11 ± 0.08 cm(3), 3.85 ± 0.19, 1.40 ± 0.20, 39.84 ± 7.38 ms, and 114.0 ± 22.15 ms. No significant differences were found between males and females. The analyses carried out on the femoral artery flow spectrum obtained by DDU showed that it is easy to use and highly tolerated in non-sedated, healthy cats. It appears that DDU may be a useful diagnostic technique, but further studies are needed to evaluate how it compares with invasive telemetric methodology or high-definition oscillometric waveform analytic techniques. © ISFM and AAFP 2014.

Broad screening of illicit ingredients in cosmetics using ultra-high-performance liquid chromatography-hybrid quadrupole-Orbitrap mass spectrometry with customized accurate-mass database and mass spectral library.

PubMed

Meng, Xianshuang; Bai, Hua; Guo, Teng; Niu, Zengyuan; Ma, Qiang

2017-12-15

Comprehensive identification and quantitation of 100 multi-class regulated ingredients in cosmetics was achieved using ultra-high-performance liquid chromatography (UHPLC) coupled with hybrid quadrupole-Orbitrap high-resolution mass spectrometry (Q-Orbitrap HRMS). A simple, efficient, and inexpensive sample pretreatment protocol was developed using ultrasound-assisted extraction (UAE), followed by dispersive solid-phase extraction (dSPE). The cosmetic samples were analyzed by UHPLC-Q-Orbitrap HRMS under synchronous full-scan MS and data-dependent MS/MS (full-scan MS 1 /dd-MS 2 ) acquisition mode. The mass resolution was set to 70,000 FWHM (full width at half maximum) for full-scan MS 1 and 17,500 FWHM for dd-MS 2 stage with the experimentally measured mass deviations of less than 2ppm (parts per million) for quasi-molecular ions and 5ppm for characteristic fragment ions for each individual analyte. An accurate-mass database and a mass spectral library were built in house for searching the 100 target compounds. Broad screening was conducted by comparing the experimentally measured exact mass of precursor and fragment ions, retention time, isotopic pattern, and ionic ratio with the accurate-mass database and by matching the acquired MS/MS spectra against the mass spectral library. The developed methodology was evaluated and validated in terms of limits of detection (LODs), limits of quantitation (LOQs), linearity, stability, accuracy, and matrix effect. The UHPLC-Q-Orbitrap HRMS approach was applied for the analysis of 100 target illicit ingredients in 123 genuine cosmetic samples, and exhibited great potential for high-throughput, sensitive, and reliable screening of multi-class illicit compounds in cosmetics. Copyright © 2017 Elsevier B.V. All rights reserved.

Quantitative fluorescence in intracranial tumor: implications for ALA-induced PpIX as an intraoperative biomarker

PubMed Central

Valdés, Pablo A.; Leblond, Frederic; Kim, Anthony; Harris, Brent T.; Wilson, Brian C.; Fan, Xiaoyao; Tosteson, Tor D.; Hartov, Alex; Ji, Songbai; Erkmen, Kadir; Simmons, Nathan E.; Paulsen, Keith D.; Roberts, David W.

2011-01-01

Object Accurate discrimination between tumor and normal tissue is crucial for optimal tumor resection. Qualitative fluorescence of protoporphyrin IX (PpIX), synthesized endogenously following δ-aminolevulinic acid (ALA) administration, has been used for this purpose in high-grade glioma (HGG). The authors show that diagnostically significant but visually imperceptible concentrations of PpIX can be quantitatively measured in vivo and used to discriminate normal from neoplastic brain tissue across a range of tumor histologies. Methods The authors studied 14 patients with diagnoses of low-grade glioma (LGG), HGG, meningioma, and metastasis under an institutional review board–approved protocol for fluorescence-guided resection. The primary aim of the study was to compare the diagnostic capabilities of a highly sensitive, spectrally resolved quantitative fluorescence approach to conventional fluorescence imaging for detection of neoplastic tissue in vivo. Results A significant difference in the quantitative measurements of PpIX concentration occurred in all tumor groups compared with normal brain tissue. Receiver operating characteristic (ROC) curve analysis of PpIX concentration as a diagnostic variable for detection of neoplastic tissue yielded a classification efficiency of 87% (AUC = 0.95, specificity = 92%, sensitivity = 84%) compared with 66% (AUC = 0.73, specificity = 100%, sensitivity = 47%) for conventional fluorescence imaging (p < 0.0001). More than 81% (57 of 70) of the quantitative fluorescence measurements that were below the threshold of the surgeon's visual perception were classified correctly in an analysis of all tumors. Conclusions These findings are clinically profound because they demonstrate that ALA-induced PpIX is a targeting biomarker for a variety of intracranial tumors beyond HGGs. This study is the first to measure quantitative ALA-induced PpIX concentrations in vivo, and the results have broad implications for guidance during resection of intracranial tumors. PMID:21438658

Quantitative IR microscopy and spectromics open the way to 3D digital pathology.

PubMed

Bobroff, Vladimir; Chen, Hsiang-Hsin; Delugin, Maylis; Javerzat, Sophie; Petibois, Cyril

2017-04-01

Currently, only mass-spectrometry (MS) microscopy brings a quantitative analysis of chemical contents of tissue samples in 3D. Here, the reconstruction of a 3D quantitative chemical images of a biological tissue by FTIR spectro-microscopy is reported. An automated curve-fitting method is developed to extract all intense absorption bands constituting IR spectra. This innovation benefits from three critical features: (1) the correction of raw IR spectra to make them quantitatively comparable; (2) the automated and iterative data treatment allowing to transfer the IR-absorption spectrum into a IR-band spectrum; (3) the reconstruction of an 3D IR-band matrix (x, y, z for voxel position and a 4 th dimension with all IR-band parameters). Spectromics, which is a new method for exploiting spectral data for tissue metadata reconstruction, is proposed to further translate the related chemical information in 3D, as biochemical and anatomical tissue parameters. An example is given with oxidative stress distribution and the reconstruction of blood vessels in tissues. The requirements of IR microscopy instrumentation to propose 3D digital histology as a clinical routine technology is briefly discussed. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

Analysis of laser printer and photocopier toners by spectral properties and chemometrics

NASA Astrophysics Data System (ADS)

Verma, Neha; Kumar, Raj; Sharma, Vishal

2018-05-01

The use of printers to generate falsified documents has become a common practice in today's world. The examination and identification of the printed matter in the suspected documents (civil or criminal cases) may provide important information about the authenticity of the document. In the present study, a total number of 100 black toner samples both from laser printers and photocopiers were examined using diffuse reflectance UV-Vis Spectroscopy. The present research is divided into two parts; visual discrimination and discrimination by using multivariate analysis. A comparison between qualitative and quantitative analysis showed that multivariate analysis (Principal component analysis) provides 99.59%pair-wise discriminating power for laser printer toners while 99.84% pair-wise discriminating power for photocopier toners. The overall results obtained confirm the applicability of UV-Vis spectroscopy and chemometrics, in the nondestructive analysis of toner printed documents while enhancing their evidential value for forensic applications.

Reflectance Prediction Modelling for Residual-Based Hyperspectral Image Coding

PubMed Central

Xiao, Rui; Gao, Junbin; Bossomaier, Terry

2016-01-01

A Hyperspectral (HS) image provides observational powers beyond human vision capability but represents more than 100 times the data compared to a traditional image. To transmit and store the huge volume of an HS image, we argue that a fundamental shift is required from the existing “original pixel intensity”-based coding approaches using traditional image coders (e.g., JPEG2000) to the “residual”-based approaches using a video coder for better compression performance. A modified video coder is required to exploit spatial-spectral redundancy using pixel-level reflectance modelling due to the different characteristics of HS images in their spectral and shape domain of panchromatic imagery compared to traditional videos. In this paper a novel coding framework using Reflectance Prediction Modelling (RPM) in the latest video coding standard High Efficiency Video Coding (HEVC) for HS images is proposed. An HS image presents a wealth of data where every pixel is considered a vector for different spectral bands. By quantitative comparison and analysis of pixel vector distribution along spectral bands, we conclude that modelling can predict the distribution and correlation of the pixel vectors for different bands. To exploit distribution of the known pixel vector, we estimate a predicted current spectral band from the previous bands using Gaussian mixture-based modelling. The predicted band is used as the additional reference band together with the immediate previous band when we apply the HEVC. Every spectral band of an HS image is treated like it is an individual frame of a video. In this paper, we compare the proposed method with mainstream encoders. The experimental results are fully justified by three types of HS dataset with different wavelength ranges. The proposed method outperforms the existing mainstream HS encoders in terms of rate-distortion performance of HS image compression. PMID:27695102

Analysis of petroleum contaminated soils by spectral modeling and pure response profile recovery of n-hexane.

PubMed

Chakraborty, Somsubhra; Weindorf, David C; Li, Bin; Ali, Md Nasim; Majumdar, K; Ray, D P

2014-07-01

This pilot study compared penalized spline regression (PSR) and random forest (RF) regression using visible and near-infrared diffuse reflectance spectroscopy (VisNIR DRS) derived spectra of 164 petroleum contaminated soils after two different spectral pretreatments [first derivative (FD) and standard normal variate (SNV) followed by detrending] for rapid quantification of soil petroleum contamination. Additionally, a new analytical approach was proposed for the recovery of the pure spectral and concentration profiles of n-hexane present in the unresolved mixture of petroleum contaminated soils using multivariate curve resolution alternating least squares (MCR-ALS). The PSR model using FD spectra (r(2) = 0.87, RMSE = 0.580 log10 mg kg(-1), and residual prediction deviation = 2.78) outperformed all other models tested. Quantitative results obtained by MCR-ALS for n-hexane in presence of interferences (r(2) = 0.65 and RMSE 0.261 log10 mg kg(-1)) were comparable to those obtained using FD (PSR) model. Furthermore, MCR ALS was able to recover pure spectra of n-hexane. Copyright © 2014 Elsevier Ltd. All rights reserved.

[Mapping environmental vulnerability from ETM + data in the Yellow River Mouth Area].

PubMed

Wang, Rui-Yan; Yu, Zhen-Wen; Xia, Yan-Ling; Wang, Xiang-Feng; Zhao, Geng-Xing; Jiang, Shu-Qian

2013-10-01

The environmental vulnerability retrieval is important to support continuing data. The spatial distribution of regional environmental vulnerability was got through remote sensing retrieval. In view of soil and vegetation, the environmental vulnerability evaluation index system was built, and the environmental vulnerability of sampling points was calculated by the AHP-fuzzy method, then the correlation between the sampling points environmental vulnerability and ETM + spectral reflectance ratio including some kinds of conversion data was analyzed to determine the sensitive spectral parameters. Based on that, models of correlation analysis, traditional regression, BP neural network and support vector regression were taken to explain the quantitative relationship between the spectral reflectance and the environmental vulnerability. With this model, the environmental vulnerability distribution was retrieved in the Yellow River Mouth Area. The results showed that the correlation between the environmental vulnerability and the spring NDVI, the September NDVI and the spring brightness was better than others, so they were selected as the sensitive spectral parameters. The model precision result showed that in addition to the support vector model, the other model reached the significant level. While all the multi-variable regression was better than all one-variable regression, and the model accuracy of BP neural network was the best. This study will serve as a reliable theoretical reference for the large spatial scale environmental vulnerability estimation based on remote sensing data.

Assessing Cd-induced stress from plant spectral response

NASA Astrophysics Data System (ADS)

Kancheva, Rumiana; Georgiev, Georgi

2014-10-01

Remote sensing plays a significant role in local, regional and global monitoring of land covers. Ecological concerns worldwide determine the importance of remote sensing applications for the assessment of soil conditions, vegetation health and identification of stress-induced changes. The extensive industrial growth and intensive agricultural land-use arise the serious ecological problem of environmental pollution associated with the increasing anthropogenic pressure on the environment. Soil contamination is a reason for degradation processes and temporary or permanent decrease of the productive capacity of land. Heavy metals are among the most dangerous pollutants because of their toxicity, persistent nature, easy up-take by plants and long biological half-life. This paper takes as its focus the study of crop species spectral response to Cd pollution. Ground-based experiments were performed, using alfalfa, spring barley and pea grown in Cd contaminated soils and in different hydroponic systems under varying concentrations of the heavy metal. Cd toxicity manifested itself by inhibition of plant growth and synthesis of photosynthetic pigments. Multispectral reflectance, absorbance and transmittance, as well as red and far red fluorescence were measured and examined for their suitability to detect differences in plant condition. Statistical analysis was performed and empirical relationships were established between Cd concentration, plant growth variables and spectral response Various spectral properties proved to be indicators of plant performance and quantitative estimators of the degree of the Cd-induced stress.

Green method by diffuse reflectance infrared spectroscopy and spectral region selection for the quantification of sulphamethoxazole and trimethoprim in pharmaceutical formulations.

PubMed

da Silva, Fabiana E B; Flores, Érico M M; Parisotto, Graciele; Müller, Edson I; Ferrão, Marco F

2016-03-01

An alternative method for the quantification of sulphametoxazole (SMZ) and trimethoprim (TMP) using diffuse reflectance infrared Fourier-transform spectroscopy (DRIFTS) and partial least square regression (PLS) was developed. Interval Partial Least Square (iPLS) and Synergy Partial Least Square (siPLS) were applied to select a spectral range that provided the lowest prediction error in comparison to the full-spectrum model. Fifteen commercial tablet formulations and forty-nine synthetic samples were used. The ranges of concentration considered were 400 to 900 mg g-1SMZ and 80 to 240 mg g-1 TMP. Spectral data were recorded between 600 and 4000 cm-1 with a 4 cm-1 resolution by Diffuse Reflectance Infrared Fourier Transform Spectroscopy (DRIFTS). The proposed procedure was compared to high performance liquid chromatography (HPLC). The results obtained from the root mean square error of prediction (RMSEP), during the validation of the models for samples of sulphamethoxazole (SMZ) and trimethoprim (TMP) using siPLS, demonstrate that this approach is a valid technique for use in quantitative analysis of pharmaceutical formulations. The selected interval algorithm allowed building regression models with minor errors when compared to the full spectrum PLS model. A RMSEP of 13.03 mg g-1for SMZ and 4.88 mg g-1 for TMP was obtained after the selection the best spectral regions by siPLS.

Multiparametric Quantitative Ultrasound Imaging in Assessment of Chronic Kidney Disease.

PubMed

Gao, Jing; Perlman, Alan; Kalache, Safa; Berman, Nathaniel; Seshan, Surya; Salvatore, Steven; Smith, Lindsey; Wehrli, Natasha; Waldron, Levi; Kodali, Hanish; Chevalier, James

2017-11-01

To evaluate the value of multiparametric quantitative ultrasound imaging in assessing chronic kidney disease (CKD) using kidney biopsy pathologic findings as reference standards. We prospectively measured multiparametric quantitative ultrasound markers with grayscale, spectral Doppler, and acoustic radiation force impulse imaging in 25 patients with CKD before kidney biopsy and 10 healthy volunteers. Based on all pathologic (glomerulosclerosis, interstitial fibrosis/tubular atrophy, arteriosclerosis, and edema) scores, the patients with CKD were classified into mild (no grade 3 and <2 of grade 2) and moderate to severe (at least 2 of grade 2 or 1 of grade 3) CKD groups. Multiparametric quantitative ultrasound parameters included kidney length, cortical thickness, pixel intensity, parenchymal shear wave velocity, intrarenal artery peak systolic velocity (PSV), end-diastolic velocity (EDV), and resistive index. We tested the difference in quantitative ultrasound parameters among mild CKD, moderate to severe CKD, and healthy controls using analysis of variance, analyzed correlations of quantitative ultrasound parameters with pathologic scores and the estimated glomerular filtration rate (GFR) using Pearson correlation coefficients, and examined the diagnostic performance of quantitative ultrasound parameters in determining moderate CKD and an estimated GFR of less than 60 mL/min/1.73 m 2 using receiver operating characteristic curve analysis. There were significant differences in cortical thickness, pixel intensity, PSV, and EDV among the 3 groups (all P < .01). Among quantitative ultrasound parameters, the top areas under the receiver operating characteristic curves for PSV and EDV were 0.88 and 0.97, respectively, for determining pathologic moderate to severe CKD, and 0.76 and 0.86 for estimated GFR of less than 60 mL/min/1.73 m 2 . Moderate to good correlations were found for PSV, EDV, and pixel intensity with pathologic scores and estimated GFR. The PSV, EDV, and pixel intensity are valuable in determining moderate to severe CKD. The value of shear wave velocity in assessing CKD needs further investigation. © 2017 by the American Institute of Ultrasound in Medicine.

Comparing methods for analysis of biomedical hyperspectral image data

NASA Astrophysics Data System (ADS)

Leavesley, Silas J.; Sweat, Brenner; Abbott, Caitlyn; Favreau, Peter F.; Annamdevula, Naga S.; Rich, Thomas C.

2017-02-01

Over the past 2 decades, hyperspectral imaging technologies have been adapted to address the need for molecule-specific identification in the biomedical imaging field. Applications have ranged from single-cell microscopy to whole-animal in vivo imaging and from basic research to clinical systems. Enabling this growth has been the availability of faster, more effective hyperspectral filtering technologies and more sensitive detectors. Hence, the potential for growth of biomedical hyperspectral imaging is high, and many hyperspectral imaging options are already commercially available. However, despite the growth in hyperspectral technologies for biomedical imaging, little work has been done to aid users of hyperspectral imaging instruments in selecting appropriate analysis algorithms. Here, we present an approach for comparing the effectiveness of spectral analysis algorithms by combining experimental image data with a theoretical "what if" scenario. This approach allows us to quantify several key outcomes that characterize a hyperspectral imaging study: linearity of sensitivity, positive detection cut-off slope, dynamic range, and false positive events. We present results of using this approach for comparing the effectiveness of several common spectral analysis algorithms for detecting weak fluorescent protein emission in the midst of strong tissue autofluorescence. Results indicate that this approach should be applicable to a very wide range of applications, allowing a quantitative assessment of the effectiveness of the combined biology, hardware, and computational analysis for detecting a specific molecular signature.

Oil droplets of bird eyes: microlenses acting as spectral filters

PubMed Central

Stavenga, Doekele G.; Wilts, Bodo D.

2014-01-01

An important component of the cone photoreceptors of bird eyes is the oil droplets located in front of the visual-pigment-containing outer segments. The droplets vary in colour and are transparent, clear, pale or rather intensely yellow or red owing to various concentrations of carotenoid pigments. Quantitative modelling of the filter characteristics using known carotenoid pigment spectra indicates that the pigments’ absorption spectra are modified by the high concentrations that are present in the yellow and red droplets. The high carotenoid concentrations not only cause strong spectral filtering but also a distinctly increased refractive index at longer wavelengths. The oil droplets therefore act as powerful spherical microlenses, effectively channelling the spectrally filtered light into the photoreceptor's outer segment, possibly thereby compensating for the light loss caused by the spectral filtering. The spectral filtering causes narrow-band photoreceptor spectral sensitivities, which are well suited for spectral discrimination, especially in birds that have feathers coloured by carotenoid pigments. PMID:24395968

Systematic assessment of survey scan and MS2-based abundance strategies for label-free quantitative proteomics using high-resolution MS data.

PubMed

Tu, Chengjian; Li, Jun; Sheng, Quanhu; Zhang, Ming; Qu, Jun

2014-04-04

Survey-scan-based label-free method have shown no compelling benefit over fragment ion (MS2)-based approaches when low-resolution mass spectrometry (MS) was used, the growing prevalence of high-resolution analyzers may have changed the game. This necessitates an updated, comparative investigation of these approaches for data acquired by high-resolution MS. Here, we compared survey scan-based (ion current, IC) and MS2-based abundance features including spectral-count (SpC) and MS2 total-ion-current (MS2-TIC), for quantitative analysis using various high-resolution LC/MS data sets. Key discoveries include: (i) study with seven different biological data sets revealed only IC achieved high reproducibility for lower-abundance proteins; (ii) evaluation with 5-replicate analyses of a yeast sample showed IC provided much higher quantitative precision and lower missing data; (iii) IC, SpC, and MS2-TIC all showed good quantitative linearity (R(2) > 0.99) over a >1000-fold concentration range; (iv) both MS2-TIC and IC showed good linear response to various protein loading amounts but not SpC; (v) quantification using a well-characterized CPTAC data set showed that IC exhibited markedly higher quantitative accuracy, higher sensitivity, and lower false-positives/false-negatives than both SpC and MS2-TIC. Therefore, IC achieved an overall superior performance than the MS2-based strategies in terms of reproducibility, missing data, quantitative dynamic range, quantitative accuracy, and biomarker discovery.

Systematic Assessment of Survey Scan and MS2-Based Abundance Strategies for Label-Free Quantitative Proteomics Using High-Resolution MS Data

PubMed Central

2015-01-01

Survey-scan-based label-free method have shown no compelling benefit over fragment ion (MS2)-based approaches when low-resolution mass spectrometry (MS) was used, the growing prevalence of high-resolution analyzers may have changed the game. This necessitates an updated, comparative investigation of these approaches for data acquired by high-resolution MS. Here, we compared survey scan-based (ion current, IC) and MS2-based abundance features including spectral-count (SpC) and MS2 total-ion-current (MS2-TIC), for quantitative analysis using various high-resolution LC/MS data sets. Key discoveries include: (i) study with seven different biological data sets revealed only IC achieved high reproducibility for lower-abundance proteins; (ii) evaluation with 5-replicate analyses of a yeast sample showed IC provided much higher quantitative precision and lower missing data; (iii) IC, SpC, and MS2-TIC all showed good quantitative linearity (R2 > 0.99) over a >1000-fold concentration range; (iv) both MS2-TIC and IC showed good linear response to various protein loading amounts but not SpC; (v) quantification using a well-characterized CPTAC data set showed that IC exhibited markedly higher quantitative accuracy, higher sensitivity, and lower false-positives/false-negatives than both SpC and MS2-TIC. Therefore, IC achieved an overall superior performance than the MS2-based strategies in terms of reproducibility, missing data, quantitative dynamic range, quantitative accuracy, and biomarker discovery. PMID:24635752

Improved phase sensitivity in spectral domain phase microscopy using line-field illumination and self phase-referencing

PubMed Central

Yaqoob, Zahid; Choi, Wonshik; Oh, Seungeun; Lue, Niyom; Park, Yongkeun; Fang-Yen, Christopher; Dasari, Ramachandra R.; Badizadegan, Kamran; Feld, Michael S.

2010-01-01

We report a quantitative phase microscope based on spectral domain optical coherence tomography and line-field illumination. The line illumination allows self phase-referencing method to reject common-mode phase noise. The quantitative phase microscope also features a separate reference arm, permitting the use of high numerical aperture (NA > 1) microscope objectives for high resolution phase measurement at multiple points along the line of illumination. We demonstrate that the path-length sensitivity of the instrument can be as good as 41 pm/Hz, which makes it suitable for nanometer scale study of cell motility. We present the detection of natural motions of cell surface and two-dimensional surface profiling of a HeLa cell. PMID:19550464

Calibrated simulations of Z opacity experiments that reproduce the experimentally measured plasma conditions

DOE PAGES

Nagayama, T.; Bailey, J. E.; Loisel, G.; ...

2016-02-05

Recently, frequency-resolved iron opacity measurements at electron temperatures of 170–200 eV and electron densities of (0.7 – 4.0) × 10 22 cm –3 revealed a 30–400% disagreement with the calculated opacities [J. E. Bailey et al., Nature (London) 517, 56 (2015)]. The discrepancies have a high impact on astrophysics, atomic physics, and high-energy density physics, and it is important to verify our understanding of the experimental platform with simulations. Reliable simulations are challenging because the temporal and spatial evolution of the source radiation and of the sample plasma are both complex and incompletely diagnosed. In this article, we describe simulationsmore » that reproduce the measured temperature and density in recent iron opacity experiments performed at the Sandia National Laboratories Z facility. The time-dependent spectral irradiance at the sample is estimated using the measured time- and space-dependent source radiation distribution, in situ source-to-sample distance measurements, and a three-dimensional (3D) view-factor code. The inferred spectral irradiance is used to drive 1D sample radiation hydrodynamics simulations. The images recorded by slit-imaged space-resolved spectrometers are modeled by solving radiation transport of the source radiation through the sample. We find that the same drive radiation time history successfully reproduces the measured plasma conditions for eight different opacity experiments. These results provide a quantitative physical explanation for the observed dependence of both temperature and density on the sample configuration. Simulated spectral images for the experiments without the FeMg sample show quantitative agreement with the measured spectral images. The agreement in spectral profile, spatial profile, and brightness provides further confidence in our understanding of the backlight-radiation time history and image formation. Furthermore, these simulations bridge the static-uniform picture of the data interpretation and the dynamic-gradient reality of the experiments, and they will allow us to quantitatively assess the impact of effects neglected in the data interpretation.« less

Large-scale label-free quantitative proteomics of the pea aphid-Buchnera symbiosis.

PubMed

Poliakov, Anton; Russell, Calum W; Ponnala, Lalit; Hoops, Harold J; Sun, Qi; Douglas, Angela E; van Wijk, Klaas J

2011-06-01

Many insects are nutritionally dependent on symbiotic microorganisms that have tiny genomes and are housed in specialized host cells called bacteriocytes. The obligate symbiosis between the pea aphid Acyrthosiphon pisum and the γ-proteobacterium Buchnera aphidicola (only 584 predicted proteins) is particularly amenable for molecular analysis because the genomes of both partners have been sequenced. To better define the symbiotic relationship between this aphid and Buchnera, we used large-scale, high accuracy tandem mass spectrometry (nanoLC-LTQ-Orbtrap) to identify aphid and Buchnera proteins in the whole aphid body, purified bacteriocytes, isolated Buchnera cells and the residual bacteriocyte fraction. More than 1900 aphid and 400 Buchnera proteins were identified. All enzymes in amino acid metabolism annotated in the Buchnera genome were detected, reflecting the high (68%) coverage of the proteome and supporting the core function of Buchnera in the aphid symbiosis. Transporters mediating the transport of predicted metabolites were present in the bacteriocyte. Label-free spectral counting combined with hierarchical clustering, allowed to define the quantitative distribution of a subset of these proteins across both symbiotic partners, yielding no evidence for the selective transfer of protein among the partners in either direction. This is the first quantitative proteome analysis of bacteriocyte symbiosis, providing a wealth of information about molecular function of both the host cell and bacterial symbiont.

Three-way analysis of the UPLC-PDA dataset for the multicomponent quantitation of hydrochlorothiazide and olmesartan medoxomil in tablets by parallel factor analysis and three-way partial least squares.

PubMed

Dinç, Erdal; Ertekin, Zehra Ceren

2016-01-01

An application of parallel factor analysis (PARAFAC) and three-way partial least squares (3W-PLS1) regression models to ultra-performance liquid chromatography-photodiode array detection (UPLC-PDA) data with co-eluted peaks in the same wavelength and time regions was described for the multicomponent quantitation of hydrochlorothiazide (HCT) and olmesartan medoxomil (OLM) in tablets. Three-way dataset of HCT and OLM in their binary mixtures containing telmisartan (IS) as an internal standard was recorded with a UPLC-PDA instrument. Firstly, the PARAFAC algorithm was applied for the decomposition of three-way UPLC-PDA data into the chromatographic, spectral and concentration profiles to quantify the concerned compounds. Secondly, 3W-PLS1 approach was subjected to the decomposition of a tensor consisting of three-way UPLC-PDA data into a set of triads to build 3W-PLS1 regression for the analysis of the same compounds in samples. For the proposed three-way analysis methods in the regression and prediction steps, the applicability and validity of PARAFAC and 3W-PLS1 models were checked by analyzing the synthetic mixture samples, inter-day and intra-day samples, and standard addition samples containing HCT and OLM. Two different three-way analysis methods, PARAFAC and 3W-PLS1, were successfully applied to the quantitative estimation of the solid dosage form containing HCT and OLM. Regression and prediction results provided from three-way analysis were compared with those obtained by traditional UPLC method. Copyright © 2015 Elsevier B.V. All rights reserved.

MR-guided dynamic PET reconstruction with the kernel method and spectral temporal basis functions

NASA Astrophysics Data System (ADS)

Novosad, Philip; Reader, Andrew J.

2016-06-01

Recent advances in dynamic positron emission tomography (PET) reconstruction have demonstrated that it is possible to achieve markedly improved end-point kinetic parameter maps by incorporating a temporal model of the radiotracer directly into the reconstruction algorithm. In this work we have developed a highly constrained, fully dynamic PET reconstruction algorithm incorporating both spectral analysis temporal basis functions and spatial basis functions derived from the kernel method applied to a co-registered T1-weighted magnetic resonance (MR) image. The dynamic PET image is modelled as a linear combination of spatial and temporal basis functions, and a maximum likelihood estimate for the coefficients can be found using the expectation-maximization (EM) algorithm. Following reconstruction, kinetic fitting using any temporal model of interest can be applied. Based on a BrainWeb T1-weighted MR phantom, we performed a realistic dynamic [18F]FDG simulation study with two noise levels, and investigated the quantitative performance of the proposed reconstruction algorithm, comparing it with reconstructions incorporating either spectral analysis temporal basis functions alone or kernel spatial basis functions alone, as well as with conventional frame-independent reconstruction. Compared to the other reconstruction algorithms, the proposed algorithm achieved superior performance, offering a decrease in spatially averaged pixel-level root-mean-square-error on post-reconstruction kinetic parametric maps in the grey/white matter, as well as in the tumours when they were present on the co-registered MR image. When the tumours were not visible in the MR image, reconstruction with the proposed algorithm performed similarly to reconstruction with spectral temporal basis functions and was superior to both conventional frame-independent reconstruction and frame-independent reconstruction with kernel spatial basis functions. Furthermore, we demonstrate that a joint spectral/kernel model can also be used for effective post-reconstruction denoising, through the use of an EM-like image-space algorithm. Finally, we applied the proposed algorithm to reconstruction of real high-resolution dynamic [11C]SCH23390 data, showing promising results.

MR-guided dynamic PET reconstruction with the kernel method and spectral temporal basis functions.

PubMed

Novosad, Philip; Reader, Andrew J

2016-06-21

Recent advances in dynamic positron emission tomography (PET) reconstruction have demonstrated that it is possible to achieve markedly improved end-point kinetic parameter maps by incorporating a temporal model of the radiotracer directly into the reconstruction algorithm. In this work we have developed a highly constrained, fully dynamic PET reconstruction algorithm incorporating both spectral analysis temporal basis functions and spatial basis functions derived from the kernel method applied to a co-registered T1-weighted magnetic resonance (MR) image. The dynamic PET image is modelled as a linear combination of spatial and temporal basis functions, and a maximum likelihood estimate for the coefficients can be found using the expectation-maximization (EM) algorithm. Following reconstruction, kinetic fitting using any temporal model of interest can be applied. Based on a BrainWeb T1-weighted MR phantom, we performed a realistic dynamic [(18)F]FDG simulation study with two noise levels, and investigated the quantitative performance of the proposed reconstruction algorithm, comparing it with reconstructions incorporating either spectral analysis temporal basis functions alone or kernel spatial basis functions alone, as well as with conventional frame-independent reconstruction. Compared to the other reconstruction algorithms, the proposed algorithm achieved superior performance, offering a decrease in spatially averaged pixel-level root-mean-square-error on post-reconstruction kinetic parametric maps in the grey/white matter, as well as in the tumours when they were present on the co-registered MR image. When the tumours were not visible in the MR image, reconstruction with the proposed algorithm performed similarly to reconstruction with spectral temporal basis functions and was superior to both conventional frame-independent reconstruction and frame-independent reconstruction with kernel spatial basis functions. Furthermore, we demonstrate that a joint spectral/kernel model can also be used for effective post-reconstruction denoising, through the use of an EM-like image-space algorithm. Finally, we applied the proposed algorithm to reconstruction of real high-resolution dynamic [(11)C]SCH23390 data, showing promising results.

Using Neutron Spectroscopy to Obtain Quantitative Composition Data of Ganymede's Surface from the Jupiter Ganymede Orbiter

NASA Astrophysics Data System (ADS)

Lawrence, D. J.; Maurice, S.; Patterson, G. W.; Hibbitts, C. A.

2010-05-01

Understanding the global composition of Ganymede's surface is a key goal of the Europa Jupiter System Mission (EJSM) that is being jointly planned by NASA and ESA. Current plans for obtaining surface information with the Jupiter Ganymede Orbiter (JGO) use spectral imaging measurements. While spectral imaging can provide good mineralogy-related information, quantitative data about elemental abundances can often be hindered by non-composition variations due to surface effects (e.g., space weathering, grain effects, temperature, etc.). Orbital neutron and gamma-ray spectroscopy can provide quantitative composition information that is complementary to spectral imaging measurements, as has been demonstrated with similar instrumental combinations at the Moon, Mars, and Mercury. Neutron and gamma-ray measurements have successfully returned abundance information in a hydrogen-rich environment on Mars. In regards to neutrons and gamma-rays, there are many similarities between the Mars and Ganymede hydrogen-rich environments. In this study, we present results of neutron transport models, which show that quantitative composition information from Ganymede's surface can be obtained in a realistic mission scenario. Thermal and epithermal neutrons are jointly sensitive to the abundances of hydrogen and neutron absorbing elements, such as iron and titanium. These neutron measurements can discriminate between regions that are rich or depleted in neutron absorbing elements, even in the presence of large amounts of hydrogen. Details will be presented about how the neutron composition parameters can be used to meet high-level JGO science objectives, as well as an overview of a neutron spectrometer than can meet various mission and stringent environmental requirements.

Quantitative assessment of ischemia and reactive hyperemia of the dermal layers using multi - spectral imaging on the human arm

NASA Astrophysics Data System (ADS)

Kainerstorfer, Jana M.; Amyot, Franck; Demos, Stavros G.; Hassan, Moinuddin; Chernomordik, Victor; Hitzenberger, Christoph K.; Gandjbakhche, Amir H.; Riley, Jason D.

2009-07-01

Quantitative assessment of skin chromophores in a non-invasive fashion is often desirable. Especially pixel wise assessment of blood volume and blood oxygenation is beneficial for improved diagnostics. We utilized a multi-spectral imaging system for acquiring diffuse reflectance images of healthy volunteers' lower forearm. Ischemia and reactive hyperemia was introduced by occluding the upper arm with a pressure cuff for 5min with 180mmHg. Multi-spectral images were taken every 30s, before, during and after occlusion. Image reconstruction for blood volume and blood oxygenation was performed, using a two layered skin model. As the images were taken in a non-contact way, strong artifacts related to the shape (curvature) of the arms were observed, making reconstruction of optical / physiological parameters highly inaccurate. We developed a curvature correction method, which is based on extracting the curvature directly from the intensity images acquired and does not require any additional measures on the object imaged. The effectiveness of the algorithm was demonstrated, on reconstruction results of blood volume and blood oxygenation for in vivo data during occlusion of the arm. Pixel wise assessment of blood volume and blood oxygenation was made possible over the entire image area and comparison of occlusion effects between veins and surrounding skin was performed. Induced ischemia during occlusion and reactive hyperemia afterwards was observed and quantitatively assessed. Furthermore, the influence of epidermal thickness on reconstruction results was evaluated and the exact knowledge of this parameter for fully quantitative assessment was pointed out.

Curvature of iris profile in spectral domain optical coherence tomography and dependency to refraction, age and pupil size - the MIPH Eye&Health Study.

PubMed

Schuster, Alexander K; Fischer, Joachim E; Vossmerbaeumer, Urs

2017-03-01

Optical coherence tomography (OCT) of the anterior segment allows quantitative analysis of the geometry of the iris. We performed spectral domain OCT examinations in healthy emmetropic, hyperopic and myopic subjects to investigate iris curvature and its associations. In a cross-sectional study, out of 4617 eyes (2309 subjects) those with refractive errors of <-4 or >+3 dioptres were identified by objective refraction. The iris was examined using the anterior segment mode of a spectral domain 3D OCT-2000 (Topcon Inc., Japan) in the temporal meridian, and OCT scans were investigated with respect to presence and amount of convex and concave iris configuration. Ninety-three eyes of 50 subjects served as emmetropic group (-0.5 ≤ x ≤+0.5 dioptres). Previous ocular surgery was exclusion criterion. Six hundred and sixty-eight eyes of 398 persons [292 male (76%); age range; 18-66 years] were included in the study. In the myopic group, 105 eyes had a concave iris configuration (26%), while in the hyperopic group, no eye had this configuration (0%) and in the emmetropic group five eyes (5%). Convex iris configuration was found in 96% of hyperopic, in 85% of the emmetropic and in 67% of the myopic eyes. There was an association between concave iris configuration and myopia, younger age and male gender, and with anterior chamber angle width. Spectral domain OCT images can be used for analysis of the iris structure and geometry. Our results are limited to the properties of the study population having an age range from 18 to 66 years and consisting mainly of men. © 2016 Acta Ophthalmologica Scandinavica Foundation. Published by John Wiley & Sons Ltd.

Stellar population of the superbubble N 206 in the LMC. I. Analysis of the Of-type stars

NASA Astrophysics Data System (ADS)

Ramachandran, Varsha; Hainich, R.; Hamann, W.-R.; Oskinova, L. M.; Shenar, T.; Sander, A. A. C.; Todt, H.; Gallagher, J. S.

2018-01-01

Context. Massive stars severely influence their environment by their strong ionizing radiation and by the momentum and kinetic energy input provided by their stellar winds and supernovae. Quantitative analyses of massive stars are required to understand how their feedback creates and shapes large scale structures of the interstellar medium. The giant H II region N 206 in the Large Magellanic Cloud contains an OB association that powers a superbubble filled with hot X-ray emitting gas, serving as an ideal laboratory in this context. Aims: We aim to estimate stellar and wind parameters of all OB stars in N 206 by means of quantitative spectroscopic analyses. In this first paper, we focus on the nine Of-type stars located in this region. We determine their ionizing flux and wind mechanical energy. The analysis of nitrogen abundances in our sample probes rotational mixing. Methods: We obtained optical spectra with the multi-object spectrograph FLAMES at the ESO-VLT. When possible, the optical spectroscopy was complemented by UV spectra from the HST, IUE, and FUSE archives. Detailed spectral classifications are presented for our sample Of-type stars. For the quantitative spectroscopic analysis we used the Potsdam Wolf-Rayet model atmosphere code. We determined the physical parameters and nitrogen abundances of our sample stars by fitting synthetic spectra to the observations. Results: The stellar and wind parameters of nine Of-type stars, which are largely derived from spectral analysis are used to construct wind momentum - luminosity relationship. We find that our sample follows a relation close to the theoretical prediction, assuming clumped winds. The most massive star in the N 206 association is an Of supergiant that has a very high mass-loss rate. Two objects in our sample reveal composite spectra, showing that the Of primaries have companions of late O subtype. All stars in our sample have an evolutionary age of less than 4 million yr, with the O2-type star being the youngest. All these stars show a systematic discrepancy between evolutionary and spectroscopic masses. All stars in our sample are nitrogen enriched. Nitrogen enrichment shows a clear correlation with increasing projected rotational velocities. Conclusions: The mechanical energy input from the Of stars alone is comparable to the energy stored in the N 206 superbubble as measured from the observed X-ray and Hα emission.

A physical basis for remote rock mapping of igneous rocks using spectral variations in thermal infrared emittance

NASA Technical Reports Server (NTRS)

Walter, L. S.; Labovitz, M. L.

1980-01-01

Results of a theoretical investigation of the relation between spectral features in the 8-12 micrometer region and rock type are presented. Data on compositions of a suite of rocks and measurements of their spectral intensities in 8.2-10.9 and 9.4-12.1 micrometer bands published by Vincent (1973) were subjected to various quantitative procedures. There was no consistent direct relationship between rock group names and the relative spectral intensities. However, there is such a relationship between the Thornton-Tuttle (1960) Differentiation Index and the relative spectral intensities. This relationship is explicable on the basis of the change in average Si-O bond length which is a function of the degree of polymerization of the SiO4 tetrahedra of the silicate minerals in the igneous rocks.

Temporal relationships between spectral response and agronomic variables of a corn canopy

NASA Technical Reports Server (NTRS)

Kimes, D. S.; Markham, B. L.; Tucker, C. J.; Mcmurtrey, J. E., III

1981-01-01

Attention is given to an experiment in which spectral radiance data collected in three spectral regions are related to corn canopy variables. The study extends the work of Tucker et al. (1979) in that more detailed measurements of corn canopy variables were made using quantitative techniques. Wet and dry green leaf biomass is considered along with the green leaf area index, chlorotic leaf biomass, chlorotic leaf area, and leaf water content. In addition, spectral data were collected with a hand-held radiometer having Landsat-D Thematic Mapper (TM) bands TM3 (0.63-0.69 micrometers), TM4 (0.76-0.90 micrometers), and TM5 (1.55-1.75 micrometers). TM3, TM4, and TM5 seem to be well situated spectrally for making remotely sensed measurements related to chlorophyll concentration, leaf density, and leaf water content.

Phase-space networks of geometrically frustrated systems.

PubMed

Han, Yilong

2009-11-01

We illustrate a network approach to the phase-space study by using two geometrical frustration models: antiferromagnet on triangular lattice and square ice. Their highly degenerated ground states are mapped as discrete networks such that the quantitative network analysis can be applied to phase-space studies. The resulting phase spaces share some comon features and establish a class of complex networks with unique Gaussian spectral densities. Although phase-space networks are heterogeneously connected, the systems are still ergodic due to the random Poisson processes. This network approach can be generalized to phase spaces of some other complex systems.

Extragalactic Supergiants

NASA Astrophysics Data System (ADS)

Urbaneja, Miguel A.; Kudritzki, Rolf P.

2017-11-01

Blue supergiant stars of B and A spectral types are amongst the visually brightest non-transient astronomical objects. Their intrinsic brightness makes it possible to obtain high quality optical spectra of these objects in distant galaxies, enabling the study not only of these stars in different environments, but also to use them as tools to probe their host galaxies. Quantitative analysis of their optical spectra provide tight constraints on their evolution in a wide range of metallicities, as well as on the present-day chemical composition, extinction laws and distances to their host galaxies. We review in this contribution recent results in this field.

Fuel Property Determination of Biodiesel-Diesel Blends By Terahertz Spectrum

NASA Astrophysics Data System (ADS)

Zhao, Hui; Zhao, Kun; Bao, Rima

2012-05-01

The frequency-dependent absorption characteristics of biodiesel and its blends with conventional diesel fuel have been researched in the spectral range of 0.2-1.5 THz by the terahertz time-domain spectroscopy (THz-TDS). The absorption coefficient presented a regular increasing with biodiesel content. A nonlinear multivariate model that correlating cetane number and solidifying point of bio-diesel blends with absorption coefficient has been established, making the quantitative analysis of fuel properties simple. The results made the cetane number and solidifying point prediction possible by THz-TDS technology and indicated a bright future in practical application.

High Definition Confocal Imaging Modalities for the Characterization of Tissue-Engineered Substitutes.

PubMed

Mayrand, Dominique; Fradette, Julie

2018-01-01

Optimal imaging methods are necessary in order to perform a detailed characterization of thick tissue samples from either native or engineered tissues. Tissue-engineered substitutes are featuring increasing complexity including multiple cell types and capillary-like networks. Therefore, technical approaches allowing the visualization of the inner structural organization and cellular composition of tissues are needed. This chapter describes an optical clearing technique which facilitates the detailed characterization of whole-mount samples from skin and adipose tissues (ex vivo tissues and in vitro tissue-engineered substitutes) when combined with spectral confocal microscopy and quantitative analysis on image renderings.

Mapping tropical rainforest canopies using multi-temporal spaceborne imaging spectroscopy

NASA Astrophysics Data System (ADS)

Somers, Ben; Asner, Gregory P.

2013-10-01

The use of imaging spectroscopy for florisic mapping of forests is complicated by the spectral similarity among coexisting species. Here we evaluated an alternative spectral unmixing strategy combining a time series of EO-1 Hyperion images and an automated feature selection strategy in MESMA. Instead of using the same spectral subset to unmix each image pixel, our modified approach allowed the spectral subsets to vary on a per pixel basis such that each pixel is evaluated using a spectral subset tuned towards maximal separability of its specific endmember class combination or species mixture. The potential of the new approach for floristic mapping of tree species in Hawaiian rainforests was quantitatively demonstrated using both simulated and actual hyperspectral image time-series. With a Cohen's Kappa coefficient of 0.65, our approach provided a more accurate tree species map compared to MESMA (Kappa = 0.54). In addition, by the selection of spectral subsets our approach was about 90% faster than MESMA. The flexible or adaptive use of band sets in spectral unmixing as such provides an interesting avenue to address spectral similarities in complex vegetation canopies.

Spectrally-encoded color imaging

PubMed Central

Kang, DongKyun; Yelin, Dvir; Bouma, Brett E.; Tearney, Guillermo J.

2010-01-01

Spectrally-encoded endoscopy (SEE) is a technique for ultraminiature endoscopy that encodes each spatial location on the sample with a different wavelength. One limitation of previous incarnations of SEE is that it inherently creates monochromatic images, since the spectral bandwidth is expended in the spatial encoding process. Here we present a spectrally-encoded imaging system that has color imaging capability. The new imaging system utilizes three distinct red, green, and blue spectral bands that are configured to illuminate the grating at different incident angles. By careful selection of the incident angles, the three spectral bands can be made to overlap on the sample. To demonstrate the method, a bench-top system was built, comprising a 2400-lpmm grating illuminated by three 525-μm-diameter beams with three different spectral bands. Each spectral band had a bandwidth of 75 nm, producing 189 resolvable points. A resolution target, color phantoms, and excised swine small intestine were imaged to validate the system's performance. The color SEE system showed qualitatively and quantitatively similar color imaging performance to that of a conventional digital camera. PMID:19688002

Neurophysiological differences between patients clinically at high risk for schizophrenia and neurotypical controls--first steps in development of a biomarker.

PubMed

Duffy, Frank H; D'Angelo, Eugene; Rotenberg, Alexander; Gonzalez-Heydrich, Joseph

2015-11-02

Schizophrenia is a severe, disabling and prevalent mental disorder without cure and with a variable, incomplete pharmacotherapeutic response. Prior to onset in adolescence or young adulthood a prodromal period of abnormal symptoms lasting weeks to years has been identified and operationalized as clinically high risk (CHR) for schizophrenia. However, only a minority of subjects prospectively identified with CHR convert to schizophrenia, thereby limiting enthusiasm for early intervention(s). This study utilized objective resting electroencephalogram (EEG) quantification to determine whether CHR constitutes a cohesive entity and an evoked potential to assess CHR cortical auditory processing. This study constitutes an EEG-based quantitative neurophysiological comparison between two unmedicated subject groups: 35 neurotypical controls (CON) and 22 CHR patients. After artifact management, principal component analysis (PCA) identified EEG spectral and spectral coherence factors described by associated loading patterns. Discriminant function analysis (DFA) determined factors' discrimination success between subjects in the CON and CHR groups. Loading patterns on DFA-selected factors described CHR-specific spectral and coherence differences when compared to controls. The frequency modulated auditory evoked response (FMAER) explored functional CON-CHR differences within the superior temporal gyri. Variable reduction by PCA identified 40 coherence-based factors explaining 77.8% of the total variance and 40 spectral factors explaining 95.9% of the variance. DFA demonstrated significant CON-CHR group difference (P <0.00001) and successful jackknifed subject classification (CON, 85.7%; CHR, 86.4% correct). The population distribution plotted along the canonical discriminant variable was clearly bimodal. Coherence factors delineated loading patterns of altered connectivity primarily involving the bilateral posterior temporal electrodes. However, FMAER analysis showed no CON-CHR group differences. CHR subjects form a cohesive group, significantly separable from CON subjects by EEG-derived indices. Symptoms of CHR may relate to altered connectivity with the posterior temporal regions but not to primary auditory processing abnormalities within these regions.

Spectrally and Radiometrically Stable, Wideband, Onboard Calibration Source

NASA Technical Reports Server (NTRS)

Coles, James B.; Richardson, Brandon S.; Eastwood, Michael L.; Sarture, Charles M.; Quetin, Gregory R.; Porter, Michael D.; Green, Robert O.; Nolte, Scott H.; Hernandez, Marco A.; Knoll, Linley A.

2013-01-01

The Onboard Calibration (OBC) source incorporates a medical/scientific-grade halogen source with a precisely designed fiber coupling system, and a fiber-based intensity-monitoring feedback loop that results in radiometric and spectral stabilities to within less than 0.3 percent over a 15-hour period. The airborne imaging spectrometer systems developed at the Jet Propulsion Laboratory incorporate OBC sources to provide auxiliary in-use system calibration data. The use of the OBC source will provide a significant increase in the quantitative accuracy, reliability, and resulting utility of the spectral data collected from current and future imaging spectrometer instruments.

MO-F-CAMPUS-I-04: Characterization of Fan Beam Coded Aperture Coherent Scatter Spectral Imaging Methods for Differentiation of Normal and Neoplastic Breast Structures

DOE Office of Scientific and Technical Information (OSTI.GOV)

Morris, R; Albanese, K; Lakshmanan, M

Purpose: This study intends to characterize the spectral and spatial resolution limits of various fan beam geometries for differentiation of normal and neoplastic breast structures via coded aperture coherent scatter spectral imaging techniques. In previous studies, pencil beam raster scanning methods using coherent scatter computed tomography and selected volume tomography have yielded excellent results for tumor discrimination. However, these methods don’t readily conform to clinical constraints; primarily prolonged scan times and excessive dose to the patient. Here, we refine a fan beam coded aperture coherent scatter imaging system to characterize the tradeoffs between dose, scan time and image quality formore » breast tumor discrimination. Methods: An X-ray tube (125kVp, 400mAs) illuminated the sample with collimated fan beams of varying widths (3mm to 25mm). Scatter data was collected via two linear-array energy-sensitive detectors oriented parallel and perpendicular to the beam plane. An iterative reconstruction algorithm yields images of the sample’s spatial distribution and respective spectral data for each location. To model in-vivo tumor analysis, surgically resected breast tumor samples were used in conjunction with lard, which has a form factor comparable to adipose (fat). Results: Quantitative analysis with current setup geometry indicated optimal performance for beams up to 10mm wide, with wider beams producing poorer spatial resolution. Scan time for a fixed volume was reduced by a factor of 6 when scanned with a 10mm fan beam compared to a 1.5mm pencil beam. Conclusion: The study demonstrates the utility of fan beam coherent scatter spectral imaging for differentiation of normal and neoplastic breast tissues has successfully reduced dose and scan times whilst sufficiently preserving spectral and spatial resolution. Future work to alter the coded aperture and detector geometries could potentially allow the use of even wider fans, thereby making coded aperture coherent scatter imaging a clinically viable method for breast cancer detection. United States Department of Homeland Security; Duke University Medical Center - Department of Radiology; Carl E Ravin Advanced Imaging Laboratories; Duke University Medical Physics Graduate Program.« less

Multispectral Snapshot Imagers Onboard Small Satellite Formations for Multi-Angular Remote Sensing

NASA Technical Reports Server (NTRS)

Nag, Sreeja; Hewagama, Tilak; Georgiev, Georgi; Pasquale, Bert; Aslam, Shahid; Gatebe, Charles K.

2017-01-01

Multispectral snapshot imagers are capable of producing 2D spatial images with a single exposure at selected, numerous wavelengths using the same camera, therefore operate differently from push broom or whiskbroom imagers. They are payloads of choice in multi-angular, multi-spectral imaging missions that use small satellites flying in controlled formation, to retrieve Earth science measurements dependent on the targets Bidirectional Reflectance-Distribution Function (BRDF). Narrow fields of view are needed to capture images with moderate spatial resolution. This paper quantifies the dependencies of the imagers optical system, spectral elements and camera on the requirements of the formation mission and their impact on performance metrics such as spectral range, swath and signal to noise ratio (SNR). All variables and metrics have been generated from a comprehensive, payload design tool. The baseline optical parameters selected (diameter 7 cm, focal length 10.5 cm, pixel size 20 micron, field of view 1.15 deg) and snapshot imaging technologies are available. The spectral components shortlisted were waveguide spectrometers, acousto-optic tunable filters (AOTF), electronically actuated Fabry-Perot interferometers, and integral field spectrographs. Qualitative evaluation favored AOTFs because of their low weight, small size, and flight heritage. Quantitative analysis showed that waveguide spectrometers perform better in terms of achievable swath (10-90 km) and SNR (greater than 20) for 86 wavebands, but the data volume generated will need very high bandwidth communication to downlink. AOTFs meet the external data volume caps well as the minimum spectral (wavebands) and radiometric (SNR) requirements, therefore are found to be currently feasible in spite of lower swath and SNR.

Benchmarking quantitative label-free LC-MS data processing workflows using a complex spiked proteomic standard dataset.

PubMed

Ramus, Claire; Hovasse, Agnès; Marcellin, Marlène; Hesse, Anne-Marie; Mouton-Barbosa, Emmanuelle; Bouyssié, David; Vaca, Sebastian; Carapito, Christine; Chaoui, Karima; Bruley, Christophe; Garin, Jérôme; Cianférani, Sarah; Ferro, Myriam; Van Dorssaeler, Alain; Burlet-Schiltz, Odile; Schaeffer, Christine; Couté, Yohann; Gonzalez de Peredo, Anne

2016-01-30

Proteomic workflows based on nanoLC-MS/MS data-dependent-acquisition analysis have progressed tremendously in recent years. High-resolution and fast sequencing instruments have enabled the use of label-free quantitative methods, based either on spectral counting or on MS signal analysis, which appear as an attractive way to analyze differential protein expression in complex biological samples. However, the computational processing of the data for label-free quantification still remains a challenge. Here, we used a proteomic standard composed of an equimolar mixture of 48 human proteins (Sigma UPS1) spiked at different concentrations into a background of yeast cell lysate to benchmark several label-free quantitative workflows, involving different software packages developed in recent years. This experimental design allowed to finely assess their performances in terms of sensitivity and false discovery rate, by measuring the number of true and false-positive (respectively UPS1 or yeast background proteins found as differential). The spiked standard dataset has been deposited to the ProteomeXchange repository with the identifier PXD001819 and can be used to benchmark other label-free workflows, adjust software parameter settings, improve algorithms for extraction of the quantitative metrics from raw MS data, or evaluate downstream statistical methods. Bioinformatic pipelines for label-free quantitative analysis must be objectively evaluated in their ability to detect variant proteins with good sensitivity and low false discovery rate in large-scale proteomic studies. This can be done through the use of complex spiked samples, for which the "ground truth" of variant proteins is known, allowing a statistical evaluation of the performances of the data processing workflow. We provide here such a controlled standard dataset and used it to evaluate the performances of several label-free bioinformatics tools (including MaxQuant, Skyline, MFPaQ, IRMa-hEIDI and Scaffold) in different workflows, for detection of variant proteins with different absolute expression levels and fold change values. The dataset presented here can be useful for tuning software tool parameters, and also testing new algorithms for label-free quantitative analysis, or for evaluation of downstream statistical methods. Copyright © 2015 Elsevier B.V. All rights reserved.

[Rapid discriminating hogwash oil and edible vegetable oil using near infrared optical fiber spectrometer technique].

PubMed

Zhang, Bing-Fang; Yuan, Li-Bo; Kong, Qing-Ming; Shen, Wei-Zheng; Zhang, Bing-Xiu; Liu, Cheng-Hai

2014-10-01

In the present study, a new method using near infrared spectroscopy combined with optical fiber sensing technology was applied to the analysis of hogwash oil in blended oil. The 50 samples were a blend of frying oil and "nine three" soybean oil according to a certain volume ratio. The near infrared transmission spectroscopies were collected and the quantitative analysis model of frying oil was established by partial least squares (PLS) and BP artificial neural network The coefficients of determina- tion of calibration sets were 0.908 and 0.934 respectively. The coefficients of determination of validation sets were 0.961 and 0.952, the root mean square error of calibrations (RMSEC) was 0.184 and 0.136, and the root mean square error of predictions (RMSEP) was all 0.111 6. They conform to the model application requirement. At the same time, frying oil and qualified edible oil were identified with the principal component analysis (PCA), and the accurate rate was 100%. The experiment proved that near infrared spectral technology not only can quickly and accurately identify hogwash oil, but also can quantitatively detect hog- wash oil. This method has a wide application prospect in the detection of oil.

Anatomy-Based Algorithms for Detecting Oral Cancer Using Reflectance and Fluorescence Spectroscopy

PubMed Central

McGee, Sasha; Mardirossian, Vartan; Elackattu, Alphi; Mirkovic, Jelena; Pistey, Robert; Gallagher, George; Kabani, Sadru; Yu, Chung-Chieh; Wang, Zimmern; Badizadegan, Kamran; Grillone, Gregory; Feld, Michael S.

2010-01-01

Objectives We used reflectance and fluorescence spectroscopy to noninvasively and quantitatively distinguish benign from dysplastic/malignant oral lesions. We designed diagnostic algorithms to account for differences in the spectral properties among anatomic sites (gingiva, buccal mucosa, etc). Methods In vivo reflectance and fluorescence spectra were collected from 71 patients with oral lesions. The tissue was then biopsied and the specimen evaluated by histopathology. Quantitative parameters related to tissue morphology and biochemistry were extracted from the spectra. Diagnostic algorithms specific for combinations of sites with similar spectral properties were developed. Results Discrimination of benign from dysplastic/malignant lesions was most successful when algorithms were designed for individual sites (area under the receiver operator characteristic curve [ROC-AUC], 0.75 for the lateral surface of the tongue) and was least accurate when all sites were combined (ROC-AUC, 0.60). The combination of sites with similar spectral properties (floor of mouth and lateral surface of the tongue) yielded an ROC-AUC of 0.71. Conclusions Accurate spectroscopic detection of oral disease must account for spectral variations among anatomic sites. Anatomy-based algorithms for single sites or combinations of sites demonstrated good diagnostic performance in distinguishing benign lesions from dysplastic/malignant lesions and consistently performed better than algorithms developed for all sites combined. PMID:19999369

Spectrally resolved laser interference microscopy

NASA Astrophysics Data System (ADS)

Butola, Ankit; Ahmad, Azeem; Dubey, Vishesh; Senthilkumaran, P.; Singh Mehta, Dalip

2018-07-01

We developed a new quantitative phase microscopy technique, namely, spectrally resolved laser interference microscopy (SR-LIM), with which it is possible to quantify multi-spectral phase information related to biological specimens without color crosstalk using a color CCD camera. It is a single shot technique where sequential switched on/off of red, green, and blue (RGB) wavelength light sources are not required. The method is implemented using a three-wavelength interference microscope and a customized compact grating based imaging spectrometer fitted at the output port. The results of the USAF resolution chart while employing three different light sources, namely, a halogen lamp, light emitting diodes, and lasers, are discussed and compared. The broadband light sources like the halogen lamp and light emitting diodes lead to stretching in the spectrally decomposed images, whereas it is not observed in the case of narrow-band light sources, i.e. lasers. The proposed technique is further successfully employed for single-shot quantitative phase imaging of human red blood cells at three wavelengths simultaneously without color crosstalk. Using the present technique, one can also use a monochrome camera, even though the experiments are performed using multi-color light sources. Finally, SR-LIM is not only limited to RGB wavelengths, it can be further extended to red, near infra-red, and infra-red wavelengths, which are suitable for various biological applications.

The mass spectral density in quantitative time-of-flight mass spectrometry of polymers

NASA Astrophysics Data System (ADS)

Tate, Ranjeet S.; Ebeling, Dan; Smith, Lloyd M.

2001-03-01

Time-of-flight mass spectrometry (TOF-MS) is being increasingly used for the study of polymers, for example to obtain the distribution of molecular masses for polymer samples. Serious efforts have also been underway to use TOF-MS for DNA sequencing. In TOF-MS the data is obtained in the form of a time-series that represents the distribution in arrival times of ions of various m/z ratios. This time-series data is then converted to a "mass-spectrum" via a coordinate transformation from the arrival time (t) to the corresponding mass-to-charge ratio (m/z = const. t^2). In this transformation, it is important to keep in mind that spectra are distributions, or densities of weight +1, and thus do not transform as functions. To obtain the mass-spectral density, it is necessary to include a multiplicative factor of √m/z. Common commercial instruments do not take this factor into account. Dropping this factor has no effect on qualitative analysis (detection) or local quantitative measurements, since S/N or signal-to-baseline ratios are unaffected for peaks with small dispersions. However, there are serious consequences for general quantitative analyses. In DNA sequencing applications, loss of signal intensity is in part attributed to multiple charging; however, since the √m/z factor is not taken into account, this conclusion is based on an overestimate (by a factor of √z) of the relative amount of the multiply charged species. In the study of polymers, the normalized dispersion is underestimated by approximately (M_w/Mn -1)/2. In terms of M_w/Mn itself, for example, a M_w/M_n=1.5 calculated without the √m factor corresponds in fact to a M_w/M_n=1.88.

Image-based spectral distortion correction for photon-counting x-ray detectors

PubMed Central

Ding, Huanjun; Molloi, Sabee

2012-01-01

Purpose: To investigate the feasibility of using an image-based method to correct for distortions induced by various artifacts in the x-ray spectrum recorded with photon-counting detectors for their application in breast computed tomography (CT). Methods: The polyenergetic incident spectrum was simulated with the tungsten anode spectral model using the interpolating polynomials (TASMIP) code and carefully calibrated to match the x-ray tube in this study. Experiments were performed on a Cadmium-Zinc-Telluride (CZT) photon-counting detector with five energy thresholds. Energy bins were adjusted to evenly distribute the recorded counts above the noise floor. BR12 phantoms of various thicknesses were used for calibration. A nonlinear function was selected to fit the count correlation between the simulated and the measured spectra in the calibration process. To evaluate the proposed spectral distortion correction method, an empirical fitting derived from the calibration process was applied on the raw images recorded for polymethyl methacrylate (PMMA) phantoms of 8.7, 48.8, and 100.0 mm. Both the corrected counts and the effective attenuation coefficient were compared to the simulated values for each of the five energy bins. The feasibility of applying the proposed method to quantitative material decomposition was tested using a dual-energy imaging technique with a three-material phantom that consisted of water, lipid, and protein. The performance of the spectral distortion correction method was quantified using the relative root-mean-square (RMS) error with respect to the expected values from simulations or areal analysis of the decomposition phantom. Results: The implementation of the proposed method reduced the relative RMS error of the output counts in the five energy bins with respect to the simulated incident counts from 23.0%, 33.0%, and 54.0% to 1.2%, 1.8%, and 7.7% for 8.7, 48.8, and 100.0 mm PMMA phantoms, respectively. The accuracy of the effective attenuation coefficient of PMMA estimate was also improved with the proposed spectral distortion correction. Finally, the relative RMS error of water, lipid, and protein decompositions in dual-energy imaging was significantly reduced from 53.4% to 6.8% after correction was applied. Conclusions: The study demonstrated that dramatic distortions in the recorded raw image yielded from a photon-counting detector could be expected, which presents great challenges for applying the quantitative material decomposition method in spectral CT. The proposed semi-empirical correction method can effectively reduce these errors caused by various artifacts, including pulse pileup and charge sharing effects. Furthermore, rather than detector-specific simulation packages, the method requires a relatively simple calibration process and knowledge about the incident spectrum. Therefore, it may be used as a generalized procedure for the spectral distortion correction of different photon-counting detectors in clinical breast CT systems. PMID:22482608

Label-free quantitative proteomics reveals differentially regulated proteins in the latex of sticky diseased Carica papaya L. plants.

PubMed

Rodrigues, Silas P; Ventura, José A; Aguilar, Clemente; Nakayasu, Ernesto S; Choi, HyungWon; Sobreira, Tiago J P; Nohara, Lilian L; Wermelinger, Luciana S; Almeida, Igor C; Zingali, Russolina B; Fernandes, Patricia M B

2012-06-18

Papaya meleira virus (PMeV) is so far the only described laticifer-infecting virus, the causal agent of papaya (Carica papaya L.) sticky disease. The effects of PMeV on the laticifers' regulatory network were addressed here through the proteomic analysis of papaya latex. Using both 1-DE- and 1D-LC-ESI-MS/MS, 160 unique papaya latex proteins were identified, representing 122 new proteins in the latex of this plant. Quantitative analysis by normalized spectral counting revealed 10 down-regulated proteins in the latex of diseased plants, 9 cysteine proteases (chymopapain) and 1 latex serine proteinase inhibitor. A repression of papaya latex proteolytic activity during PMeV infection was hypothesized. This was further confirmed by enzymatic assays that showed a reduction of cysteine-protease-associated proteolytic activity in the diseased papaya latex. These findings are discussed in the context of plant responses against pathogens and may greatly contribute to understand the roles of laticifers in plant stress responses. Copyright © 2012 Elsevier B.V. All rights reserved.

Analytical Chemical Sensing in the Submillimeter/terahertz Spectral Range

NASA Astrophysics Data System (ADS)

Moran, Benjamin L.; Fosnight, Alyssa M.; Medvedev, Ivan R.; Neese, Christopher F.

2012-06-01

Highly sensitive and selective Terahertz sensor utilized to quantitatively analyze a complex mixture of Volatile Organic Compounds is reported. To best demonstrate analytical capabilities of THz chemical sensors we chose to perform analytical quantitative analysis of a certified gas mixture using a novel prototype chemical sensor that couples a commercial preconcentration system (Entech 7100A) to a high resolution THz spectrometer. We selected Method TO-14A certified mixture of 39 volatile organic compounds (VOCs) diluted to 1 part per million (ppm) in nitrogen. 26 of the 39 chemicals were identified by us as suitable for THz spectroscopic detection. Entech 7100A system is designed and marketed as an inlet system for Gas Chromatography-Mass Spectrometry (GC-MS) instruments with a specific focus on TO-14 and TO-15 EPA sampling methods. Its preconcentration efficiency is high for the 39 chemicals in the mixture used for this study and our preliminary results confirm this. Here we present the results of this study which serves as basis for our ongoing research in environmental sensing and analysis of exhaled human breath.

Highly sensitive image-derived indices of water-stressed plants using hyperspectral imaging in SWIR and histogram analysis

PubMed Central

Kim, David M.; Zhang, Hairong; Zhou, Haiying; Du, Tommy; Wu, Qian; Mockler, Todd C.; Berezin, Mikhail Y.

2015-01-01

The optical signature of leaves is an important monitoring and predictive parameter for a variety of biotic and abiotic stresses, including drought. Such signatures derived from spectroscopic measurements provide vegetation indices – a quantitative method for assessing plant health. However, the commonly used metrics suffer from low sensitivity. Relatively small changes in water content in moderately stressed plants demand high-contrast imaging to distinguish affected plants. We present a new approach in deriving sensitive indices using hyperspectral imaging in a short-wave infrared range from 800 nm to 1600 nm. Our method, based on high spectral resolution (1.56 nm) instrumentation and image processing algorithms (quantitative histogram analysis), enables us to distinguish a moderate water stress equivalent of 20% relative water content (RWC). The identified image-derived indices 15XX nm/14XX nm (i.e. 1529 nm/1416 nm) were superior to common vegetation indices, such as WBI, MSI, and NDWI, with significantly better sensitivity, enabling early diagnostics of plant health. PMID:26531782

A spectrally tunable calibration source using Ebert-Fastie configuration

NASA Astrophysics Data System (ADS)

Wang, Xiaoxu; Li, Zhigang

2018-03-01

A novel spectrally tunable calibration source based on a digital micromirror device (DMD) and Ebert-Fastie optical configuration with two working modes (narrow-band mode and broad-band mode) was designed. The DMD is set on the image plane of the first spectral tuner, and controls the wavelength and intensity of the light reflected into the second spectral tuner by switching the micromirror array’s condition, which in turn controls the working mode of the spectrally tunable source. When working in narrow-band mode, the spectrally tunable source can be calibrated by a Gershun tube radiant power radiometer and a spectroradiometer. In broad-band mode, it can be used to calibrate optical instruments as a standard spectral radiance source. When using a xenon lamp as a light source, the stability of the spectrally tunable source is better than 0.5%, the minimum spectral bandwidth is 7 nm, and the uncertainty of the spectral radiance of the spectrally tunable source is estimated as 14.68% at 450 nm, 1.54% at 550 nm, and 1.48% at 654.6 nm. The uncertainty of the spectral radiance of the spectrally tunable source calibrated by the Gershun tube radiometer and spectroradiometer can be kept low during the radiometric calibration procedure so that it can meet the application requirement of optical quantitative remote sensing calibration.

Detection of multiple chemicals based on external cavity quantum cascade laser spectroscopy

NASA Astrophysics Data System (ADS)

Sun, Juan; Ding, Junya; Liu, Ningwu; Yang, Guangxiang; Li, Jingsong

2018-02-01

A laser spectroscopy system based on a broadband tunable external cavity quantum cascade laser (ECQCL) and a mini quartz crystal tuning fork (QCTF) detector was developed for standoff detection of volatile organic compounds (VOCs). The self-established spectral analysis model based on multiple algorithms for quantitative and qualitative analysis of VOC components (i.e. ethanol and acetone) was detailedly investigated in both closed cell and open path configurations. A good agreement was obtained between the experimentally observed spectra and the standard reference spectra. For open path detection of VOCs, the sensor system was demonstrated at a distance of 30 m. The preliminary laboratory results show that standoff detection of VOCs at a distance of over 100 m is very promising.

Spectral analysis of groove spacing on Ganymede

NASA Technical Reports Server (NTRS)

Grimm, R. E.; Squyres, S. W.

1985-01-01

A quantitative analysis of groove spacing on Ganymede is described. Fourier transforms of a large number of photometric profiles across groove sets are calculated and the resulting power spectra are examined for the position and strength of peaks representing topographic periodicities. The geographic and global statistical distribution of groove wavelengths are examined, and these data are related to models of groove tectonism. It is found that groove spacing on Ganymede shows an approximately long-normal distribution with a minimum of about 3.5 km, a maximum of about 17 km, and a mean of 8.4 km. Groove spacing tends to be quite regular within a single groove set but can vary substantially from one groove set to another within a single geographic region.

Coordinated Noninvasive Studies (CNS) Project

NASA Astrophysics Data System (ADS)

Lauter, Judith

1988-11-01

Research activities during this period include: data collection related to the interface between complex-sound production and perception, specifically, studies on speech acoustics including two experiments on voice-onset-time variability in productions by speakers of several languages, and a series on acoustical characteristics of emotional expression; data collection regarding individual differences in the effect of stimulus characteristic on relative ear advantages; continuing data analysis and new collections documenting individual differences in auditory evoked potentials, with details related to auditory-systems asymmetries preliminary tests regarding the match between behavioral measures of relative ear advantages and quantitative-electroencephalographic asymmetries observed during auditory stimulation; pilot testing using a combination of Nuclear Magnetic Resonance's (NMR) anatomical-imaging and chemical-spectral-analysis capabilities to study physiological activation in the human brain.

Spectral gain measurements of quantum confined emitters, and design and fabrication of intersubband quantum box laser structures

NASA Astrophysics Data System (ADS)

Tsvid, Gene

Semiconductor laser active regions are commonly characterized by photo- and electro-luminescence (PL, EL) and cavity length analysis. However quantitative spectral information is not readily extracted from PL and EL data and comparison of different active region materials can be difficult. More quantifiable spectral information is contained in the optical gain spectra. This work reports on spectral gain studies, using multi-segmented interband devices, of InGaAs quantum well and quantum dot active regions grown by metalorganic chemical vapor deposition (MOCVD). Using the fundamental connection between gain and spontaneous emission spectra, the spontaneous radiative current and spontaneous radiative efficiency is evaluated for these active regions. The spectral gain and spontaneous radiative efficiency measurements of 980 nm emitting InGaAs quantum well (QW) material provides a benchmark comparison to previous results obtained on highly-strained, 1200 nm emitting InGaAs QW material. These studies provide insight into carrier recombination and the role of the current injection efficiency in InGaAs QW lasers. The spectral gain of self-assembled MOCVD grown InGaAs quantum dots (QD) active regions are also investigated, allowing for comparison to InGaAs QW material. The second part of my talk will cover intersubband-transition QW and quantum-box (QB) lasers. Quantum cascade (QC) lasers have emerged as compact and technologically important light sources in the mid-infrared (IR) and far-IR wavelength ranges infringing on the near-IR and terahertz spectral regions respectively. However, the overall power conversion efficiency, so-called wallplug efficiency, of the best QC lasers, emitting around 5 microns, is ˜9% in CW operation and very unlikely to exceed 15%. In order to dramatically improve the wallplug efficiency of mid-IR lasers (i.e., to about 50%), intersubband QB (IQB) lasers have been proposed. The basic idea, the optimal design and the progress towards the fabrication of IQB lasers will be presented.

Less label, more free: approaches in label-free quantitative mass spectrometry.

PubMed

Neilson, Karlie A; Ali, Naveid A; Muralidharan, Sridevi; Mirzaei, Mehdi; Mariani, Michael; Assadourian, Gariné; Lee, Albert; van Sluyter, Steven C; Haynes, Paul A

2011-02-01

In this review we examine techniques, software, and statistical analyses used in label-free quantitative proteomics studies for area under the curve and spectral counting approaches. Recent advances in the field are discussed in an order that reflects a logical workflow design. Examples of studies that follow this design are presented to highlight the requirement for statistical assessment and further experiments to validate results from label-free quantitation. Limitations of label-free approaches are considered, label-free approaches are compared with labelling techniques, and forward-looking applications for label-free quantitative data are presented. We conclude that label-free quantitative proteomics is a reliable, versatile, and cost-effective alternative to labelled quantitation. Copyright © 2011 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Calibration Transfer in LIBS and Raman Spectroscopy for Planetary Applications

NASA Astrophysics Data System (ADS)

Dyar, M. D.; Thomas, B. F.; Parente, M.; Gemp, I.; Mullen, T. H.

2017-12-01

Planetary scientists rely on spectral libraries and instrument reproducibility to interpret results from missions. Major investments have been made into assembling libraries, but they often naively assume that spectra of single crystals versus powders and from varying instruments will be the same. Calibration transfer (CT) seeks to algorithmically resolve discrepancies among datasets from different instruments or conditions. It offers the ability to align suites of spectra with a small number of common samples, allowing better models to be built with combined data sets. LIBS and Raman data present different challenges for CT. Quantitative geochemical analyses by LIBS spectroscopy are limited by lack of consistency among repeated laser shots and across instruments. Many different factors affect the presence/absence of emission lines and their intensities, such as laser power/plasma temperature, angle of incidence, detector sensitivity/resolution. To overcome these, models in which disparate datasets are projected into a joint low-dimensional subspace where all data can be aligned before quantitative analysis, such as Correlation Analysis for Domain Adaptation (CADA), have proven very effective. They require some overlap between the populations of spectra to be aligned. For example, prediction of SiO2 on 80 samples from two different LIBS labs show errors of ±16-29 wt.% when the training and test sets have no overlap, and ±4.94 wt% SiO2 when CADA is used. Uncorrected Earth-Mars spectral differences are likely to cause errors with the same order of magnitude. As with other types of reflectance spectroscopy, Raman data are plagued by differences among single crystal/powder samples and laser wavelength that affect peak intensities, and by spectral offsets from instruments with varying resolution and wavenumber alignment schemes. These problems persist even within the archetypal RRUFF database. Pre-processing transformation functions such as optimized baseline removal, normalization, squashing, and smoothing improve mineral matching accuracy. Alignment methods can record shifts between corresponding peaks from the same mineral from pairs of instruments. By considering many pairs of minerals, corrections at each energy increment can be determined, creating a transfer function to align the data.

Discrimination of fungal infections on grape berries via spectral signatures

NASA Astrophysics Data System (ADS)

Molitor, Daniel; Griesser, Michaela; Schütz, Erich; Khuen, Marie-Therese; Schefbeck, Christa; Ronellenfitsch, Franz Kai; Schlerf, Martin; Beyer, Marco; Schoedl-Hummel, Katharina; Anhalt, Ulrike; Forneck, Astrid

2016-04-01

The fungal pathogens Botrytis cinerea and Penicillium expansum are causing economic damages on grapevine worldwide. Especially the simultaneous occurrence of both often results in off-flavours highly threatening wine quality. For the classification of grape quality as well as for the determination of targeted enological treatments, the knowledge of the level of fungal attack is of highest interest. However, visual assessment and pathogen discrimination are cost-intensive. Consequently, a pilot laboratory study aimed at (i) detecting differences in spectral signatures between grape berry lots with different levels of infected berries (B. cinerea and/or P. expansum) and (ii) detecting links between spectral signatures and biochemical as well as quantitative molecular markers for fungal attack. To this end, defined percentages (infection levels) of table grape berries were inoculated with fungal spore suspensions. Spectral measurements were taken using a FieldSpec 3 Max spectroradiometer (ASD Inc., Boulder/Colorado, USA) in regular intervals after inoculation. In addition, fungal attack was determined enzymatically) and quantitatively (real-time PCR). In addition, gluconic acid concentrations (as a potential markers for fungal attack) were determined photometrically. Results indicate that based on spectral signatures, a discrimination of P. expansum and B. cinerea infections as well as of different B. cinerea infection levels is possible. Real-time PCR analyses, detecting DNA levels of both fungi, showed yet a low detection level. Whereas the gluconic acid concentrations turned out to be specific for the two fungi tested (B. cinerea vs. P. expansum) and thus may serve as a differentiating biochemical marker. Correlation analyses between spectral measurements and biological data (gluconic acid concentrations, fungi DNA) as well as further common field and laboratory trials are targeted.

Parametric Methods for Dynamic 11C-Phenytoin PET Studies.

PubMed

Mansor, Syahir; Yaqub, Maqsood; Boellaard, Ronald; Froklage, Femke E; de Vries, Anke; Bakker, Esther D M; Voskuyl, Rob A; Eriksson, Jonas; Schwarte, Lothar A; Verbeek, Joost; Windhorst, Albert D; Lammertsma, Adriaan A

2017-03-01

In this study, the performance of various methods for generating quantitative parametric images of dynamic 11 C-phenytoin PET studies was evaluated. Methods: Double-baseline 60-min dynamic 11 C-phenytoin PET studies, including online arterial sampling, were acquired for 6 healthy subjects. Parametric images were generated using Logan plot analysis, a basis function method, and spectral analysis. Parametric distribution volume (V T ) and influx rate ( K 1 ) were compared with those obtained from nonlinear regression analysis of time-activity curves. In addition, global and regional test-retest (TRT) variability was determined for parametric K 1 and V T values. Results: Biases in V T observed with all parametric methods were less than 5%. For K 1 , spectral analysis showed a negative bias of 16%. The mean TRT variabilities of V T and K 1 were less than 10% for all methods. Shortening the scan duration to 45 min provided similar V T and K 1 with comparable TRT performance compared with 60-min data. Conclusion: Among the various parametric methods tested, the basis function method provided parametric V T and K 1 values with the least bias compared with nonlinear regression data and showed TRT variabilities lower than 5%, also for smaller volume-of-interest sizes (i.e., higher noise levels) and shorter scan duration. © 2017 by the Society of Nuclear Medicine and Molecular Imaging.

Analysis of Slow-Wave Activity and Slow-Wave Oscillations Prior to Somnambulism

PubMed Central

Jaar, Olivier; Pilon, Mathieu; Carrier, Julie; Montplaisir, Jacques; Zadra, Antonio

2010-01-01

Study Objectivies: Several studies have investigated slow wave sleep EEG parameters, including slow-wave activity (SWA) in relation to somnambulism, but results have been both inconsistent and contradictory. The first goal of the present study was to conduct a quantitative analysis of sleepwalkers' sleep EEG by studying fluctuations in spectral power for delta (1-4 Hz) and slow delta (0.5-1 Hz) before the onset of somnambulistic episodes. A secondary aim was to detect slow-wave oscillations to examine changes in their amplitude and density prior to behavioral episodes. Participants: Twenty-two adult sleepwalkers were investigated polysomnographically following 25 h of sleep deprivation. Results: Analysis of patients' sleep EEG over the 200 sec prior to the episodes' onset revealed that the episodes were not preceded by a gradual increase in spectral power for either delta or slow delta over frontal, central, or parietal leads. However, time course comparisons revealed significant changes in the density of slow-wave oscillations as well as in very slow oscillations with significant increases occurring during the final 20 sec immediately preceding episode onset. Conclusions: The specificity of these sleep EEG parameters for the occurrence and diagnosis of NREM parasomnias remains to be determined. Citation: Jaar O; Pilon M; Carrier J; Montplaisir J; Zadra A. Analysis of slow-wave activity and slow-wave oscillations prior to somnambulism. SLEEP 2010;33(11):1511-1516. PMID:21102993

Frequency-selective quantitation of short-echo time 1H magnetic resonance spectra

NASA Astrophysics Data System (ADS)

Poullet, Jean-Baptiste; Sima, Diana M.; Van Huffel, Sabine; Van Hecke, Paul

2007-06-01

Accurate and efficient filtering techniques are required to suppress large nuisance components present in short-echo time magnetic resonance (MR) spectra. This paper discusses two powerful filtering techniques used in long-echo time MR spectral quantitation, the maximum-phase FIR filter (MP-FIR) and the Hankel-Lanczos Singular Value Decomposition with Partial ReOrthogonalization (HLSVD-PRO), and shows that they can be applied to their more complex short-echo time spectral counterparts. Both filters are validated and compared through extensive simulations. Their properties are discussed. In particular, the capability of MP-FIR for dealing with macromolecular components is emphasized. Although this property does not make a large difference for long-echo time MR spectra, it can be important when quantifying short-echo time spectra.

Analysis of tonal noise generating mechanisms in low-speed axial-flow fans

NASA Astrophysics Data System (ADS)

Canepa, Edward; Cattanei, Andrea; Zecchin, Fabio Mazzocut

2016-08-01

The present paper reports a comparison of experimental SPL spectral data related to the tonal noise generated by axial-flow fans. A nine blade rotor has been operated at free discharge conditions and in four geometrical configurations in which different kinds of tonal noise generating mechanisms are present: large-scale inlet turbulent structures, tip-gap flow, turbulent wakes, and rotor-stator interaction. The measurements have been taken in a hemi-anechoic chamber at constant rotational speed and, in order to vary the acoustic source strength, during low angular acceleration, linear speed ramps. In order to avoid erroneous quantitative evaluations if the acoustic propagation effects are not considered, the acoustic response functions of the different test configurations have been computed by means of the spectral decomposition method. Then, the properties of the tonal noise generating mechanisms have been studied. To this aim, the constant-Strouhal number SPL, obtained by means of measurements taken during the speed ramps, have been compared with the propagation function. Finally, the analysis of the phase of the acoustic pressure has allowed to distinguish between random and deterministic tonal noise generating mechanisms and to collect information about the presence of important propagation effects.

Toward laboratory blood test-comparable photometric assessments for anemia in veterinary hematology

NASA Astrophysics Data System (ADS)

Kim, Taehoon; Choi, Seung Ho; Lambert-Cheatham, Nathan; Xu, Zhengbin; Kritchevsky, Janice E.; Bertin, Francois-René; Kim, Young L.

2016-10-01

Anemia associated with intestinal parasites and malnutrition is the leading cause of morbidity and mortality in small ruminants worldwide. Qualitative scoring of conjunctival redness has been developed so that farmers can gauge anemia in sheep and goats to identify animals that require treatment. For clinically relevant anemia diagnosis, complete blood count-comparable quantitative methods often rely on complicated and expensive optical instruments, requiring detailed spectral information of hemoglobin. We report experimental and numerical results for simple, yet reliable, noninvasive hemoglobin detection that can be correlated with laboratory-based blood hemoglobin testing for anemia diagnosis. In our pilot animal study using calves, we exploit the third eyelid (i.e., palpebral conjunctiva) as an effective sensing site. To further test spectrometer-free (or spectrometerless) hemoglobin assessments, we implement full spectral reconstruction from RGB data and partial least square regression. The unique combination of RGB-based spectral reconstruction and partial least square regression could potentially offer uncomplicated instrumentation and avoid the use of a spectrometer, which is vital for realizing a compact and inexpensive hematology device for quantitative anemia detection in the farm field.

Toward laboratory blood test-comparable photometric assessments for anemia in veterinary hematology.

PubMed

Kim, Taehoon; Choi, Seung Ho; Lambert-Cheatham, Nathan; Xu, Zhengbin; Kritchevsky, Janice E; Bertin, Francois-René; Kim, Young L

2016-10-01

Anemia associated with intestinal parasites and malnutrition is the leading cause of morbidity and mortality in small ruminants worldwide. Qualitative scoring of conjunctival redness has been developed so that farmers can gauge anemia in sheep and goats to identify animals that require treatment. For clinically relevant anemia diagnosis, complete blood count-comparable quantitative methods often rely on complicated and expensive optical instruments, requiring detailed spectral information of hemoglobin. We report experimental and numerical results for simple, yet reliable, noninvasive hemoglobin detection that can be correlated with laboratory-based blood hemoglobin testing for anemia diagnosis. In our pilot animal study using calves, we exploit the third eyelid (i.e., palpebral conjunctiva) as an effective sensing site. To further test spectrometer-free (or spectrometerless) hemoglobin assessments, we implement full spectral reconstruction from RGB data and partial least square regression. The unique combination of RGB-based spectral reconstruction and partial least square regression could potentially offer uncomplicated instrumentation and avoid the use of a spectrometer, which is vital for realizing a compact and inexpensive hematology device for quantitative anemia detection in the farm field.

[Lithology feature extraction of CASI hyperspectral data based on fractal signal algorithm].

PubMed

Tang, Chao; Chen, Jian-Ping; Cui, Jing; Wen, Bo-Tao

2014-05-01

Hyperspectral data is characterized by combination of image and spectrum and large data volume dimension reduction is the main research direction. Band selection and feature extraction is the primary method used for this objective. In the present article, the authors tested methods applied for the lithology feature extraction from hyperspectral data. Based on the self-similarity of hyperspectral data, the authors explored the application of fractal algorithm to lithology feature extraction from CASI hyperspectral data. The "carpet method" was corrected and then applied to calculate the fractal value of every pixel in the hyperspectral data. The results show that fractal information highlights the exposed bedrock lithology better than the original hyperspectral data The fractal signal and characterized scale are influenced by the spectral curve shape, the initial scale selection and iteration step. At present, research on the fractal signal of spectral curve is rare, implying the necessity of further quantitative analysis and investigation of its physical implications.

Online quantitative analysis of multispectral images of human body tissues

NASA Astrophysics Data System (ADS)

Lisenko, S. A.

2013-08-01

A method is developed for online monitoring of structural and morphological parameters of biological tissues (haemoglobin concentration, degree of blood oxygenation, average diameter of capillaries and the parameter characterising the average size of tissue scatterers), which involves multispectral tissue imaging, image normalisation to one of its spectral layers and determination of unknown parameters based on their stable regression relation with the spectral characteristics of the normalised image. Regression is obtained by simulating numerically the diffuse reflectance spectrum of the tissue by the Monte Carlo method at a wide variation of model parameters. The correctness of the model calculations is confirmed by the good agreement with the experimental data. The error of the method is estimated under conditions of general variability of structural and morphological parameters of the tissue. The method developed is compared with the traditional methods of interpretation of multispectral images of biological tissues, based on the solution of the inverse problem for each pixel of the image in the approximation of different analytical models.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Nagayama, T.; Bailey, J. E.; Loisel, G. P.

Iron opacity calculations presently disagree with measurements at an electron temperature of ~180–195 eV and an electron density of (2–4)×10 22cm –3, conditions similar to those at the base of the solar convection zone. The measurements use x rays to volumetrically heat a thin iron sample that is tamped with low-Z materials. The opacity is inferred from spectrally resolved x-ray transmission measurements. Plasma self-emission, tamper attenuation, and temporal and spatial gradients can all potentially cause systematic errors in the measured opacity spectra. In this article we quantitatively evaluate these potential errors with numerical investigations. The analysis exploits computer simulations thatmore » were previously found to reproduce the experimentally measured plasma conditions. The simulations, combined with a spectral synthesis model, enable evaluations of individual and combined potential errors in order to estimate their potential effects on the opacity measurement. Lastly, the results show that the errors considered here do not account for the previously observed model-data discrepancies.« less

Spatio-temporal analysis of irregular vocal fold oscillations: Biphonation due to desynchronization of spatial modes

NASA Astrophysics Data System (ADS)

Neubauer, Jürgen; Mergell, Patrick; Eysholdt, Ulrich; Herzel, Hanspeter

2001-12-01

This report is on direct observation and modal analysis of irregular spatio-temporal vibration patterns of vocal fold pathologies in vivo. The observed oscillation patterns are described quantitatively with multiline kymograms, spectral analysis, and spatio-temporal plots. The complex spatio-temporal vibration patterns are decomposed by empirical orthogonal functions into independent vibratory modes. It is shown quantitatively that biphonation can be induced either by left-right asymmetry or by desynchronized anterior-posterior vibratory modes, and the term ``AP (anterior-posterior) biphonation'' is introduced. The presented phonation examples show that for normal phonation the first two modes sufficiently explain the glottal dynamics. The spatio-temporal oscillation pattern associated with biphonation due to left-right asymmetry can be explained by the first three modes. Higher-order modes are required to describe the pattern for biphonation induced by anterior-posterior vibrations. Spatial irregularity is quantified by an entropy measure, which is significantly higher for irregular phonation than for normal phonation. Two asymmetry measures are introduced: the left-right asymmetry and the anterior-posterior asymmetry, as the ratios of the fundamental frequencies of left and right vocal fold and of anterior-posterior modes, respectively. These quantities clearly differentiate between left-right biphonation and anterior-posterior biphonation. This paper proposes methods to analyze quantitatively irregular vocal fold contour patterns in vivo and complements previous findings of desynchronization of vibration modes in computer modes and in in vitro experiments.

Detection, monitoring, and quantitative analysis of wildfires with the BIRD satellite

NASA Astrophysics Data System (ADS)

Oertel, Dieter A.; Briess, Klaus; Lorenz, Eckehard; Skrbek, Wolfgang; Zhukov, Boris

2004-02-01

Increasing concern about environment and interest to avoid losses led to growing demands on space borne fire detection, monitoring and quantitative parameter estimation of wildfires. The global change research community intends to quantify the amount of gaseous and particulate matter emitted from vegetation fires, peat fires and coal seam fires. The DLR Institute of Space Sensor Technology and Planetary Exploration (Berlin-Adlershof) developed a small satellite called BIRD (Bi-spectral Infrared Detection) which carries a sensor package specially designed for fire detection. BIRD was launched as a piggy-back satellite on October 22, 2001 with ISRO"s Polar Satellite Launch Vehicle (PSLV). It is circling the Earth on a polar and sun-synchronous orbit at an altitude of 572 km and it is providing unique data for detailed analysis of high temperature events on Earth surface. The BIRD sensor package is dedicated for high resolution and reliable fire recognition. Active fire analysis is possible in the sub-pixel domain. The leading channel for fire detection and monitoring is the MIR channel at 3.8 μm. The rejection of false alarms is based on procedures using MIR/NIR (Middle Infra Red/Near Infra Red) and MIR/TIR (Middle Infra Red/Thermal Infra Red) radiance ratio thresholds. Unique results of BIRD wildfire detection and analysis over fire prone regions in Australia and Asia will be presented. BIRD successfully demonstrates innovative fire recognition technology for small satellites which permit to retrieve quantitative characteristics of active burning wildfires, such as the equivalent fire temperature, fire area, radiative energy release, fire front length and fire front strength.

The quality of geological information derivable from high resolution reflectance spectra - Results for mafic silicates

NASA Technical Reports Server (NTRS)

Cloutis, E. A.; Lambert, J.; Smith, D. G. W.; Gaffey, M. J.

1987-01-01

High-resolution visible and near-infrared diffuse reflectance spectra of mafic silicates can be deconvolved to yield quantitative information concerning mineral mixture properties, and the results can be directly applied to remotely sensed data. Spectral reflectance measurements of laboratory mixtures of olivine, orthophyroxene, and clinopyroxene with known chemistries, phase abundances, and particle size distributions have been utilized to develop correlations between spectral properties and the physicochemical parameters of the samples. A large number of mafic silicate spectra were measured and examined for systematic variations in spectral properties as a function of chemistry, phase abundance, and particle size. Three classes of spectral parameters (ratioed, absolute, and wavelength) were examined for any correlations. Each class is sensitive to particular mafic silicate properties. Spectral deconvolution techniques have been developed for quantifying, with varying degrees of accuracy, the assemblage properties (chemistry, phase abundance, and particle size).

SPECTRAL CLASSIFICATION AND PROPERTIES OF THE O Vz STARS IN THE GALACTIC O-STAR SPECTROSCOPIC SURVEY (GOSSS)

DOE Office of Scientific and Technical Information (OSTI.GOV)

Arias, Julia I.; Barbá, Rodolfo H.; Sabín-Sanjulián, Carolina

On the basis of the Galactic O Star Spectroscopic Survey (GOSSS), we present a detailed systematic investigation of the O Vz stars. The currently used spectral classification criteria are rediscussed, and the Vz phenomenon is recalibrated through the addition of a quantitative criterion based on the equivalent widths of the He i λ 4471, He ii λ 4542, and He ii λ 4686 spectral lines. The GOSSS O Vz and O V populations resulting from the newly adopted spectral classification criteria are comparatively analyzed. The locations of the O Vz stars are probed, showing a concentration of the most extrememore » cases toward the youngest star-forming regions. The occurrence of the Vz spectral peculiarity in a solar-metallicity environment, as predicted by the fastwind code, is also investigated, confirming the importance of taking into account several processes for the correct interpretation of the phenomenon.« less

Kelvin waves: a comparison study between SABER and normal mode analysis of ECMWF data

NASA Astrophysics Data System (ADS)

Blaauw, Marten; Garcia, Rolando; Zagar, Nedjeljka; Tribbia, Joe

2014-05-01

Equatorial Kelvin waves spectra are sensitive to the multi-scale variability of their source of tropical convective forcing. Moreover, Kelvin wave spectra are modified upward by changes in the background winds and stability. Recent high resolution data from observations as well as analyses are capable of resolving the slower Kelvin waves with shorter vertical wavelength near the tropical tropopause. In this presentation, results from a quantitive comparison study of stratospheric Kelvin waves in satellite data (SABER) and analysis data from the ECMWF operational archive will be shown. Temperature data from SABER is extracted over a six year period (2007-2012) with an effective vertical resolution of 2 km. Spectral power of stratospheric Kelvin waves in SABER data is isolated by selecting symmetric and eastward spectral components in the 8-20 days range. Global data from ECMWF operational analysis is extracted for the same six years on 91 model levels (top level at 0.01 hPa) and 25 km horizontal resolution. Using three-dimensional orthogonal normal-mode expansions, the input mass and wind data from ECMWF is projected onto balanced rotational modes and unbalanced inertia-gravity modes, including spectral data for pure Kelvin waves. The results show good agreement between Kelvin waves in SABER and ECMWF analyses data for: (i) the frequency shift of Kelvin wave variance with height and (ii) vertical wavelengths. Variability with respect to QBO will also be discussed. In a previous study, discrepancies in the upper stratosphere were found to be 60% and are found here to be 10% (8-20 day averaged value), which can be explained by the better stratosphere representation in the 91 model level version of the ECMWF operational model. New discrepancies in Kelvin wave variance are found in the lower stratosphere at 20 km. Averaged spectral power over the 8-20 day range is found to be 35% higher in ECMWF compared to SABER data. We compared results at 20 km with additional satellite data from HIRDLS (1 km eff. resolution) and conclude preliminary that SABER data does not represent the shortest 20 day Kelvin waves as well as HIRDLS and ECMWF operational analysis.

Absolute detector-based spectrally tunable radiant source using digital micromirror device and supercontinuum fiber laser.

PubMed

Li, Zhigang; Wang, Xiaoxu; Zheng, Yuquan; Li, Futian

2017-06-10

High-accuracy absolute detector-based spectroradiometric calibration techniques traceable to cryogenic absolute radiometers have made progress rapidly in recent decades under the impetus of atmospheric quantitative spectral remote sensing. A high brightness spectrally tunable radiant source using a supercontinuum fiber laser and a digital micromirror device (DMD) has been developed to meet demands of spectroradiometric calibrations for ground-based, aeronautics-based, and aerospace-based remote sensing instruments and spectral simulations of natural scenes such as the sun and atmosphere. Using a supercontinuum fiber laser as a radiant source, the spectral radiance of the spectrally tunable radiant source is 20 times higher than the spectrally tunable radiant source using conventional radiant sources such as tungsten halogen lamps, xenon lamps, or LED lamps, and the stability is better than ±0.3%/h. Using a DMD, the spectrally tunable radiant source possesses two working modes. In narrow-band modes, it is calibrated by an absolute detector, and in broad-band modes, it can calibrate for remote sensing instrument. The uncertainty of the spectral radiance of the spectrally tunable radiant source is estimated at less than 1.87% at 350 nm to 0.85% at 750 nm, and compared to only standard lamp-based calibration, a greater improvement is gained.

Spectral multi-energy CT texture analysis with machine learning for tissue classification: an investigation using classification of benign parotid tumours as a testing paradigm.

PubMed

Al Ajmi, Eiman; Forghani, Behzad; Reinhold, Caroline; Bayat, Maryam; Forghani, Reza

2018-06-01

There is a rich amount of quantitative information in spectral datasets generated from dual-energy CT (DECT). In this study, we compare the performance of texture analysis performed on multi-energy datasets to that of virtual monochromatic images (VMIs) at 65 keV only, using classification of the two most common benign parotid neoplasms as a testing paradigm. Forty-two patients with pathologically proven Warthin tumour (n = 25) or pleomorphic adenoma (n = 17) were evaluated. Texture analysis was performed on VMIs ranging from 40 to 140 keV in 5-keV increments (multi-energy analysis) or 65-keV VMIs only, which is typically considered equivalent to single-energy CT. Random forest (RF) models were constructed for outcome prediction using separate randomly selected training and testing sets or the entire patient set. Using multi-energy texture analysis, tumour classification in the independent testing set had accuracy, sensitivity, specificity, positive predictive value, and negative predictive value of 92%, 86%, 100%, 100%, and 83%, compared to 75%, 57%, 100%, 100%, and 63%, respectively, for single-energy analysis. Multi-energy texture analysis demonstrates superior performance compared to single-energy texture analysis of VMIs at 65 keV for classification of benign parotid tumours. • We present and validate a paradigm for texture analysis of DECT scans. • Multi-energy dataset texture analysis is superior to single-energy dataset texture analysis. • DECT texture analysis has high accura\\cy for diagnosis of benign parotid tumours. • DECT texture analysis with machine learning can enhance non-invasive diagnostic tumour evaluation.