Detection and identification of explosive particles in fingerprints using attenuated total reflection-Fourier transform infrared spectromicroscopy.

PubMed

Mou, Yongyan; Rabalais, J Wayne

2009-07-01

The application of attenuated total reflection (ATR)-Fourier transform infrared (FTIR) spectromicroscopy for detection of explosive particles in fingerprints is described. The combined functions of ATR-FTIR spectromicroscopy are visual searching of particles in fingerprints and measuring the FTIR spectra of the particles. These functions make it possible to directly identify whether a suspect has handled explosives from the fingerprints alone. Particles in explosive contaminated fingerprints are either ingredients of the explosives, finger residues, or other foreign materials. These cannot normally be discriminated by their morphology alone. ATR-FTIR spectra can provide both particle morphology and composition. Fingerprints analyzed by ATR-FTIR can be used for further analysis and identification because of its non-destructive character. Fingerprints contaminated with three different types of explosives, or potential explosives, have been analyzed herein. An infrared spectral library was searched in order to identify the explosive residues. The acquired spectra are compared to those of finger residue alone, in order to differentiate such residue from explosive residue.

A method of power analysis based on piecewise discrete Fourier transform

NASA Astrophysics Data System (ADS)

Xin, Miaomiao; Zhang, Yanchi; Xie, Da

2018-04-01

The paper analyzes the existing feature extraction methods. The characteristics of discrete Fourier transform and piecewise aggregation approximation are analyzed. Combining with the advantages of the two methods, a new piecewise discrete Fourier transform is proposed. And the method is used to analyze the lighting power of a large customer in this paper. The time series feature maps of four different cases are compared with the original data, discrete Fourier transform, piecewise aggregation approximation and piecewise discrete Fourier transform. This new method can reflect both the overall trend of electricity change and its internal changes in electrical analysis.

To See the World in a Grain of Sand: Recognizing the Origin of Sand Specimens by Diffuse Reflectance Infrared Fourier Transform Spectroscopy and Multivariate Exploratory Data Analysis

ERIC Educational Resources Information Center

Pezzolo, Alessandra De Lorenzi

2011-01-01

The diffuse reflectance infrared Fourier transform (DRIFT) spectra of sand samples exhibit features reflecting their composition. Basic multivariate analysis (MVA) can be used to effectively sort subsets of homogeneous specimens collected from nearby locations, as well as pointing out similarities in composition among sands of different origins.…

[Fast determination of induction period of motor gasoline using Fourier transform attenuated total reflection infrared spectroscopy].

PubMed

Liu, Ya-Fei; Yuan, Hong-Fu; Song, Chun-Feng; Xie, Jin-Chun; Li, Xiao-Yu; Yan, De-Lin

2014-11-01

A new method is proposed for the fast determination of the induction period of gasoline using Fourier transform attenuated total reflection infrared spectroscopy (ATR-FTIR). A dedicated analysis system with the function of spectral measurement, data processing, display and storage was designed and integrated using a Fourier transform infrared spectrometer module and chemometric software. The sample presentation accessory designed which has advantages of constant optical path, convenient sample injection and cleaning is composed of a nine times reflection attenuated total reflectance (ATR) crystal of zinc selenide (ZnSe) coated with a diamond film and a stainless steel lid with sealing device. The influence of spectral scanning number and repeated sample loading times on the spectral signal-to-noise ratio was studied. The optimum spectral scanning number is 15 times and the optimum sample loading number is 4 times. Sixty four different gasoline samples were collected from the Beijing-Tianjin area and the induction period values were determined as reference data by standard method GB/T 8018-87. The infrared spectra of these samples were collected in the operating condition mentioned above using the dedicated fast analysis system. Spectra were pretreated using mean centering and 1st derivative to reduce the influence of spectral noise and baseline shift A PLS calibration model for the induction period was established by correlating the known induction period values of the samples with their spectra. The correlation coefficient (R2), standard error of calibration (SEC) and standard error of prediction (SEP) of the model are 0.897, 68.3 and 91.9 minutes, respectively. The relative deviation of the model for gasoline induction period prediction is less than 5%, which meets the requirements of repeatability tolerance in GB method. The new method is simple and fast. It takes no more than 3 minutes to detect one sample. Therefore, the method is feasible for implementing fast determination of gasoline induction period, and of a positive meaning in the evaluation of fuel quality.

Diffuse-reflectance fourier-transform mid-infrared spectroscopy as a method of characterizing changes in soil organic matter

USDA-ARS?s Scientific Manuscript database

Diffuse-Reflectance Fourier-Transform Mid-Infrared Spectroscopy (MidIR) can identify the presence of important organic functional groups in soil organic matter (SOM). Soils contain myriad organic and inorganic components that absorb in the MidIR so spectral interpretation needs to be validated in or...

FT-IR examination of the development of secondary cell wall in cotton fibers

USDA-ARS?s Scientific Manuscript database

The secondary cell wall development of cotton fibers harvested at 18, 20, 24, 28, 32, 36 and 40 days after flowering was examined using attenuated total reflection Fourier transform-infrared (ATR FT-IR) spectroscopy. Generally, a progressive intensity increase for bands assigned to cellulose Iß was ...

Botanical trash mixtures analyzed with near-infrared and attenuated total reflectance fourier transform spectroscopy and thermogravimetric analysis

USDA-ARS?s Scientific Manuscript database

Botanical cotton trash mixed with lint reduces cotton’s marketability and appearance. During cotton harvesting, ginning, and processing, trash size reduction occurs, thus complicating its removal and identification. This trash causes problems by increasing ends down in yarn formation and thus proce...

Application of the fractional Fourier transform to the design of LCOS based optical interconnects and fiber switches.

PubMed

Robertson, Brian; Zhang, Zichen; Yang, Haining; Redmond, Maura M; Collings, Neil; Liu, Jinsong; Lin, Ruisheng; Jeziorska-Chapman, Anna M; Moore, John R; Crossland, William A; Chu, D P

2012-04-20

It is shown that reflective liquid crystal on silicon (LCOS) spatial light modulator (SLM) based interconnects or fiber switches that use defocus to reduce crosstalk can be evaluated and optimized using a fractional Fourier transform if certain optical symmetry conditions are met. Theoretically the maximum allowable linear hologram phase error compared to a Fourier switch is increased by a factor of six before the target crosstalk for telecom applications of -40 dB is exceeded. A Gerchberg-Saxton algorithm incorporating a fractional Fourier transform modified for use with a reflective LCOS SLM is used to optimize multi-casting holograms in a prototype telecom switch. Experiments are in close agreement to predicted performance.

Harvest-time prediction of apple physiological indices using fiber optic Fourier transform near-infrared spectrometer

NASA Astrophysics Data System (ADS)

Liu, Yande; Ying, Yibin; Lu, Huishan; Fu, Xiaping

2004-12-01

This work evaluates the feasibility of Fourier transform near infrared (FT-NIR) spectrometry for rapid determining the total soluble solids content and acidity of apple fruit. Intact apple fruit were measured by reflectance FT-NIR in 800-2500 nm range. FT-NIR models were developed based on partial least square (PLS) regression and principal component regress (PCR) with respect to the reflectance and its first derivative, the logarithms of the reflectance reciprocal and its second derivative. The above regression models, related the FT-NIR spectra to soluble solids content (SSC), titratable acidity (TA) and available acidity (pH). The best combination, based on the prediction results, was PLS models with respect to the logarithms of the reflectance reciprocal. Predictions with PLS models resulted standard errors of prediction (SEP) of 0.455, 0.044 and 0.068, and correlation coefficients of 0.968, 0.728 and 0.831 for SSC, TA and pH, respectively. It was concluded that by using the FT-NIR spectrometry measurement system, in the appropriate spectral range, it is possible to nondestructively assess the maturity factors of apple fruit.

Application of Multivariable Analysis and FTIR-ATR Spectroscopy to the Prediction of Properties in Campeche Honey

PubMed Central

Pat, Lucio; Ali, Bassam; Guerrero, Armando; Córdova, Atl V.; Garduza, José P.

2016-01-01

Attenuated total reflectance-Fourier transform infrared spectrometry and chemometrics model was used for determination of physicochemical properties (pH, redox potential, free acidity, electrical conductivity, moisture, total soluble solids (TSS), ash, and HMF) in honey samples. The reference values of 189 honey samples of different botanical origin were determined using Association Official Analytical Chemists, (AOAC), 1990; Codex Alimentarius, 2001, International Honey Commission, 2002, methods. Multivariate calibration models were built using partial least squares (PLS) for the measurands studied. The developed models were validated using cross-validation and external validation; several statistical parameters were obtained to determine the robustness of the calibration models: (PCs) optimum number of components principal, (SECV) standard error of cross-validation, (R 2 cal) coefficient of determination of cross-validation, (SEP) standard error of validation, and (R 2 val) coefficient of determination for external validation and coefficient of variation (CV). The prediction accuracy for pH, redox potential, electrical conductivity, moisture, TSS, and ash was good, while for free acidity and HMF it was poor. The results demonstrate that attenuated total reflectance-Fourier transform infrared spectrometry is a valuable, rapid, and nondestructive tool for the quantification of physicochemical properties of honey. PMID:28070445

Infrared and colorimetric characterization of discolored kiln-dried hard maple lumber

Treesearch

Benjamin E. Dawson-Andoh; Michael Wiemann; Laurent Matuana; John Baumgras

2004-01-01

Discoloration of hard maple lumber commonly occurs during kiln-drying. In this study, discolored andnondiscolored kiln-dried hard maple lumber boards were characterized using a colorimetric method and Attenuated Total Reflectance-Fourier Transform Infrared Spectroscopy (ATR-FTIR). Colorimetric measurements (L*, a*, b*) were found to be in good agreement with visual...

ATR-FTIR Spectroscopy in the Undergraduate Chemistry Laboratory: Part I--Fundamentals and Examples

ERIC Educational Resources Information Center

Schuttlefield, Jennifer D.; Grassian, Vicki H.

2008-01-01

Attenuated total reflectance-Fourier transform infrared (ATR-FTIR) spectroscopy is a useful technique for measuring the infrared spectra of solids and liquids as well as probing adsorption on particle surfaces. Several examples of the use of FTIR-ATR spectroscopy in different undergraduate chemistry laboratory courses are presented here. These…

Infrared spectral properties of germ, pericarp, and endosperm sections of sound wheat kernels and those damaged by Fusarium graminearum

USDA-ARS?s Scientific Manuscript database

Mid-infrared attenuated total reflectance (MIR-ATR) spectra (4000-380 cm-1) of pericarp, germ, and endosperm sections from sound and Fusarium-damaged wheat kernels of cultivars Everest and Tomahawk were collected using a Fourier Transform Infrared (FTIR) spectrometer. The differences in infrared abs...

Application of micro-attenuated total reflectance Fourier transform infrared spectroscopy to ink examination in signatures written with ballpoint pen on questioned documents.

PubMed

Nam, Yun Sik; Park, Jin Sook; Lee, Yeonhee; Lee, Kang-Bong

2014-05-01

Questioned documents examined in a forensic laboratory sometimes contain signatures written with ballpoint pen inks; these signatures were examined to assess the feasibility of micro-attenuated total reflectance (ATR) Fourier transform infrared (FTIR) spectroscopy as a forensic tool. Micro-ATR FTIR spectra for signatures written with 63 ballpoint pens available commercially in Korea were obtained and used to construct an FTIR spectral database. A library-searching program was utilized to identify the manufacturer, blend, and model of each black ballpoint pen ink based upon their FTIR peak intensities, positions, and patterns in the spectral database. This FTIR technique was also successfully used in determining the sequence of homogeneous line intersections from the crossing lines of two ballpoint pen signatures. We have demonstrated with a set of sample documents that micro-ATR FTIR is a viable nondestructive analytical method that can be used to identify the origin of the ballpoint pen ink used to mark signatures. © 2014 American Academy of Forensic Sciences.

Development of an on-site screening system for amphetamine-type stimulant tablets with a portable attenuated total reflection Fourier transform infrared spectrometer.

PubMed

Tsujikawa, Kenji; Kuwayama, Kenji; Miyaguchi, Hajime; Kanamori, Tatsuyuki; Iwata, Yuko T; Yoshida, Takemi; Inoue, Hiroyuki

2008-02-04

We tried to develop a library search system using a portable, attenuated total reflection Fourier transform infrared (ATR-FT-IR) spectrometer for on-site identification of 3,4-methylenedioxymethamphetamine (MDMA) and 3,4-methylenedioxyamphetamine (MDA) tablets. The library consisted of the spectra from mixtures of controlled drugs (e.g. MDMA and ketamine), adulterants (e.g. caffeine), and diluents (e.g. lactose). In the seven library search algorithms, the derivative correlation coefficient showed the best discriminant capability. This was enhanced by segmentation of the search area. The optimized search algorithm was validated by the positive (n=154, e.g. the standard mixtures containing the controlled drug, and the MDMA/MDA tablets confiscated) and negative samples (n=56, e.g. medicinal tablets). All validation samples except for four were judged truly. Final criteria for positive identification were decided on the basis of the results of the validation. In conclusion, a portable ATR-FT-IR spectrometer with our library search system would be a useful tool for on-site identification of amphetamine-type stimulant tablets.

Changes in Attenuated Total Reflection Fourier Transform Infrared Spectra as Blood Dries Out.

PubMed

Zhang, Yinming; Wang, Qi; Li, Bing; Wang, Zhijun; Li, Chengzhi; Yao, Yao; Huang, Ping; Wang, Zhenyuan

2017-05-01

The time since deposition (TSD) of a bloodstain is a valuable piece of evidence for forensic scientists to determine the time at which a crime took place. The objective of this study was to determine whether attenuated total reflection (ATR) Fourier transform infrared (FTIR) spectroscopy could be used to estimate the TSD of a bloodstain in a relatively early period (from 0 min to the time required for the bloodstain to dry out). For this purpose, we used ATR-FTIR to study the variation in absorbance at certain wavelengths as rat and human blood sample dried out. The absorbance at 3308/cm (A3308) was found to have a close correlation with the TSD during this time period, and the changes in A3308 during the drying of rat and human blood drops under the same controlled conditions showed similar results. The current study indicates that ATR-FTIR spectroscopy has potential as a tool for estimating TSD at early time periods of blood deposition. © 2016 American Academy of Forensic Sciences.

Classification and identification of Rhodobryum roseum Limpr. and its adulterants based on fourier-transform infrared spectroscopy (FTIR) and chemometrics.

PubMed

Cao, Zhen; Wang, Zhenjie; Shang, Zhonglin; Zhao, Jiancheng

2017-01-01

Fourier-transform infrared spectroscopy (FTIR) with the attenuated total reflectance technique was used to identify Rhodobryum roseum from its four adulterants. The FTIR spectra of six samples in the range from 4000 cm-1 to 600 cm-1 were obtained. The second-derivative transformation test was used to identify the small and nearby absorption peaks. A cluster analysis was performed to classify the spectra in a dendrogram based on the spectral similarity. Principal component analysis (PCA) was used to classify the species of six moss samples. A cluster analysis with PCA was used to identify different genera. However, some species of the same genus exhibited highly similar chemical components and FTIR spectra. Fourier self-deconvolution and discrete wavelet transform (DWT) were used to enhance the differences among the species with similar chemical components and FTIR spectra. Three scales were selected as the feature-extracting space in the DWT domain. The results show that FTIR spectroscopy with chemometrics is suitable for identifying Rhodobryum roseum and its adulterants.

Fourier Transform-Plasmon Waveguide Spectroscopy: A Nondestructive Multifrequency Method for Simultaneously Determining Polymer Thickness and Apparent Index of Refraction

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

Bobbitt, Jonathan M; Weibel, Stephen C; Elshobaki, Moneim

2014-12-16

Fourier transform (FT)-plasmon waveguide resonance (PWR) spectroscopy measures light reflectivity at a waveguide interface as the incident frequency and angle are scanned. Under conditions of total internal reflection, the reflected light intensity is attenuated when the incident frequency and angle satisfy conditions for exciting surface plasmon modes in the metal as well as guided modes within the waveguide. Expanding upon the concept of two-frequency surface plasmon resonance developed by Peterlinz and Georgiadis [ Opt. Commun. 1996, 130, 260], the apparent index of refraction and the thickness of a waveguide can be measured precisely and simultaneously by FT-PWR with an averagemore » percent relative error of 0.4%. Measuring reflectivity for a range of frequencies extends the analysis to a wide variety of sample compositions and thicknesses since frequencies with the maximum attenuation can be selected to optimize the analysis. Additionally, the ability to measure reflectivity curves with both p- and s-polarized light provides anisotropic indices of refraction. FT-PWR is demonstrated using polystyrene waveguides of varying thickness, and the validity of FT-PWR measurements are verified by comparing the results to data from profilometry and atomic force microscopy (AFM).« less

Fourier transform-plasmon waveguide spectroscopy: a nondestructive multifrequency method for simultaneously determining polymer thickness and apparent index of refraction.

PubMed

Bobbitt, Jonathan M; Weibel, Stephen C; Elshobaki, Moneim; Chaudhary, Sumit; Smith, Emily A

2014-12-16

Fourier transform (FT)-plasmon waveguide resonance (PWR) spectroscopy measures light reflectivity at a waveguide interface as the incident frequency and angle are scanned. Under conditions of total internal reflection, the reflected light intensity is attenuated when the incident frequency and angle satisfy conditions for exciting surface plasmon modes in the metal as well as guided modes within the waveguide. Expanding upon the concept of two-frequency surface plasmon resonance developed by Peterlinz and Georgiadis [Opt. Commun. 1996, 130, 260], the apparent index of refraction and the thickness of a waveguide can be measured precisely and simultaneously by FT-PWR with an average percent relative error of 0.4%. Measuring reflectivity for a range of frequencies extends the analysis to a wide variety of sample compositions and thicknesses since frequencies with the maximum attenuation can be selected to optimize the analysis. Additionally, the ability to measure reflectivity curves with both p- and s-polarized light provides anisotropic indices of refraction. FT-PWR is demonstrated using polystyrene waveguides of varying thickness, and the validity of FT-PWR measurements are verified by comparing the results to data from profilometry and atomic force microscopy (AFM).

Comparative study of Fourier transform infrared spectroscopy in transmission, attenuated total reflection, and total reflection modes for the analysis of plastics in the cultural heritage field.

PubMed

Picollo, Marcello; Bartolozzi, Giovanni; Cucci, Costanza; Galeotti, Monica; Marchiafava, Veronica; Pizzo, Benedetto

2014-01-01

This study was completed within the framework of two research projects dealing with the conservation of contemporary artworks. The first is the Seventh Framework Project (FP7) of the European Union, Preservation of Plastic ARTefacts in Museum Collections (POPART), spanning years 2008-2012, and the second is the Italian project funded by the Tuscan Region, Preventive Conservation of Contemporary Art (Conservazione Preventiva dell'Arte Contemporanea (COPAC)), spanning 2011-2013. Both of these programs pointed out the great importance of having noninvasive and portable analytical techniques that can be used to investigate and characterize modern and contemporary artworks, especially those consisting of synthetic polymers. Indeed, despite the extensive presence of plastics in museum collections, there is still a lack of analytical tools for identifying, characterizing, and setting up adequate conservation strategies for these materials. In this work, the potentials of in situ and noninvasive Fourier transform infrared (FT-IR) spectroscopy, implemented by means of portable devices that operate in reflection mode, are investigated with a view to applying the results in large-scale surveys of plastic objects in museums. To this end, an essential prerequisite are the reliability of spectral data acquired in situ and the availability of spectral databases acquired from reference materials. A collection of polymeric samples, which are available commercially as ResinKit, was analyzed to create a reference spectral archive. All the spectra were recorded using three FT-IR configurations: transmission (trans), attenuated total reflection (ATR), and total reflection (TR). A comparative evaluation of the data acquired using the three instrumental configurations is presented, together with an evaluation of the similarity percentages and a discussion of the critical cases.

Chemical Vapor Identification Using Field-Based Attenuated Total Reflectance Fourier Transform Infrared Detection and Solid Phase Microextraction

DTIC Science & Technology

2005-01-01

Index IMS Ion Mobility Spectrometry IR Infrared IRE Internal Reflection Element KBr Potassium Bromide LOD Limit of Detection MS Mass Spectrometer NB...Kaiser Bryant, Master of Science in Public Health, 2005 Directed By: Peter T. LaPuma, LtCol, USAF, BSC Assistant Professor, Department of Prey Med and...hereby certifies that the use of any copyrighted material in the thesis manuscript entitled: Chemical Agent Identification Using Field-Based Attenuated

Preliminary evidence of oxidation in standard oven drying of cotton: attenuated total reflectance/ Fourier transform spectroscopy, colorimetry, and particulate matter formation

USDA-ARS?s Scientific Manuscript database

Moisture is paramount to cotton fiber properties dictating harvesting, ginning, storage and spinning as well as others. Currently, oven drying in air is often utilized to generate the percentage of moisture in cotton fibers. Karl Fischer Titration another method for cotton moisture, has been compa...

Quantitative analysis of virgin coconut oil in cream cosmetics preparations using fourier transform infrared (FTIR) spectroscopy.

PubMed

Rohman, A; Man, Yb Che; Sismindari

2009-10-01

Today, virgin coconut oil (VCO) is becoming valuable oil and is receiving an attractive topic for researchers because of its several biological activities. In cosmetics industry, VCO is excellent material which functions as a skin moisturizer and softener. Therefore, it is important to develop a quantitative analytical method offering a fast and reliable technique. Fourier transform infrared (FTIR) spectroscopy with sample handling technique of attenuated total reflectance (ATR) can be successfully used to analyze VCO quantitatively in cream cosmetic preparations. A multivariate analysis using calibration of partial least square (PLS) model revealed the good relationship between actual value and FTIR-predicted value of VCO with coefficient of determination (R2) of 0.998.

Diagnostics of normal and cancer tissues by fiberoptic evanescent wave Fourier transform IR (FEW-FTIR) spectroscopy

NASA Astrophysics Data System (ADS)

Afanasyeva, Natalia I.

1998-06-01

Fourier Transform Infrared (FTIR) Spectroscopy using optical fibers operated in the attenuated total reflection (ATR) regime in the mid-IR region in the range 850 to 4000 cm-1 has recently found an application in the noninvasive diagnostics of tissues in vivo. The method is suitable for nondestructive, nontoxic, fast (seconds), direct measurements of the spectra of normal and pathological tissues in vitro, ex vivo, and in vivo in real time. The aim of our studies is the express testing of various tumor tissues at the early stages of their development. The method is expected to be further developed for endoscopic and biopsy applications as well as for the research of different materials.

Process control using fiber optics and Fourier transform infrared spectroscopy

NASA Astrophysics Data System (ADS)

Kemsley, E. K.; Wilson, Reginald H.

1992-03-01

A process control system has been constructed using optical fibers interfaced to a Fourier transform infrared (FT-IR) spectrometer, to achieve remote spectroscopic analysis of food samples during processing. The multichannel interface accommodates six fibers, allowing the sequential observation of up to six samples. Novel fiber-optic sampling cells have been constructed, including transmission and attenuated total reflectance (ATR) designs. Different fiber types have been evaluated; in particular, plastic clad silica (PCS) and zirconium fluoride fibers. Processes investigated have included the dilution of fruit juice concentrate, and the addition of alcohol to fruit syrup. Suitable algorithms have been written which use the results of spectroscopic measurements to control and monitor the course of each process, by actuating devices such as valves and switches.

Development of Infrared Library Search Prefilters for Automotive Clear Coats from Simulated Attenuated Total Reflection (ATR) Spectra.

PubMed

Perera, Undugodage Don Nuwan; Nishikida, Koichi; Lavine, Barry K

2018-06-01

A previously published study featuring an attenuated total reflection (ATR) simulation algorithm that mitigated distortions in ATR spectra was further investigated to evaluate its efficacy to enhance searching of infrared (IR) transmission libraries. In the present study, search prefilters were developed from transformed ATR spectra to identify the assembly plant of a vehicle from ATR spectra of the clear coat layer. A total of 456 IR transmission spectra from the Paint Data Query (PDQ) database that spanned 22 General Motors assembly plants and served as a training set cohort were transformed into ATR spectra by the simulation algorithm. These search prefilters were formulated using the fingerprint region (1500 cm -1 to 500 cm -1 ). Both the transformed ATR spectra (training set) and the experimental ATR spectra (validation set) were preprocessed for pattern recognition analysis using the discrete wavelet transform, which increased the signal-to-noise of the ATR spectra by concentrating the signal in specific wavelet coefficients. Attenuated total reflection spectra of 14 clear coat samples (validation set) measured with a Nicolet iS50 Fourier transform IR spectrometer were correctly classified as to assembly plant(s) of the automotive vehicle from which the paint sample originated using search prefilters developed from 456 simulated ATR spectra. The ATR simulation (transformation) algorithm successfully facilitated spectral library matching of ATR spectra against IR transmission spectra of automotive clear coats in the PDQ database.

Determination of chemical changes in heat-treated wood using ATR-FTIR and FT Raman spectrometry

NASA Astrophysics Data System (ADS)

Özgenç, Özlem; Durmaz, Sefa; Boyaci, Ismail Hakki; Eksi-Kocak, Haslet

2017-01-01

In this study, attenuated total reflectance-Fourier transform infrared (ATR-FTIR) and Fourier-transform Raman (FT-Raman) spectroscopy techniques were used to determine changes in the chemical structure of heat-treated woods. For this purpose, scots pine (Pinus sylvestris L.), oriental beech (Fagus orientalis L.), and oriental spruce (Picea orientalis L.) wood species were heat-treated at different temperatures. The effect of chemical changes on the FT-Raman and ATR-FTIR bands or ratios of heat-treated wood was related with the OH association of cellulose, functional groups, and the aromatic system of lignin. The effects of heat treatment on the carbohydrate and lignin peaks varied depending on the wood species. The spectral changes that occurred after heat treatment reflected the progress of the condensation reaction of lignin. Degradation of hemicelluloses led to a decrease in free hydroxyl groups. High temperature caused crystalline cellulose to increase due to the degradation of amorphous cellulose.

Determination of chemical changes in heat-treated wood using ATR-FTIR and FT Raman spectrometry.

PubMed

Özgenç, Özlem; Durmaz, Sefa; Boyaci, Ismail Hakki; Eksi-Kocak, Haslet

2017-01-15

In this study, attenuated total reflectance-Fourier transform infrared (ATR-FTIR) and Fourier-transform Raman (FT-Raman) spectroscopy techniques were used to determine changes in the chemical structure of heat-treated woods. For this purpose, scots pine (Pinus sylvestris L.), oriental beech (Fagus orientalis L.), and oriental spruce (Picea orientalis L.) wood species were heat-treated at different temperatures. The effect of chemical changes on the FT-Raman and ATR-FTIR bands or ratios of heat-treated wood was related with the OH association of cellulose, functional groups, and the aromatic system of lignin. The effects of heat treatment on the carbohydrate and lignin peaks varied depending on the wood species. The spectral changes that occurred after heat treatment reflected the progress of the condensation reaction of lignin. Degradation of hemicelluloses led to a decrease in free hydroxyl groups. High temperature caused crystalline cellulose to increase due to the degradation of amorphous cellulose. Copyright © 2016 Elsevier B.V. All rights reserved.

Quantitative evaluation of multiple adulterants in roasted coffee by Diffuse Reflectance Infrared Fourier Transform Spectroscopy (DRIFTS) and chemometrics.

PubMed

Reis, Nádia; Franca, Adriana S; Oliveira, Leandro S

2013-10-15

The current study presents an application of Diffuse Reflectance Infrared Fourier Transform Spectroscopy for detection and quantification of fraudulent addition of commonly employed adulterants (spent coffee grounds, coffee husks, roasted corn and roasted barley) to roasted and ground coffee. Roasted coffee samples were intentionally blended with the adulterants (pure and mixed), with total adulteration levels ranging from 1% to 66% w/w. Partial Least Squares Regression (PLS) was used to relate the processed spectra to the mass fraction of adulterants and the model obtained provided reliable predictions of adulterations at levels as low as 1% w/w. A robust methodology was implemented that included the detection of outliers. High correlation coefficients (0.99 for calibration; 0.98 for validation) coupled with low degrees of error (1.23% for calibration; 2.67% for validation) confirmed that DRIFTS can be a valuable analytical tool for detection and quantification of adulteration in ground, roasted coffee. Copyright © 2013 Elsevier B.V. All rights reserved.

The Use of ATR-FTIR in Conjunction with Thermal Analysis Methods for Efficient Identification of Polymer Samples: A Qualitative Multiinstrument Instrumental Analysis Laboratory Experiment

ERIC Educational Resources Information Center

Dickson-Karn, Nicole M.

2017-01-01

A multi-instrument approach has been applied to the efficient identification of polymers in an upper-division undergraduate instrumental analysis laboratory course. Attenuated total reflectance Fourier transform infrared spectroscopy (ATR-FTIR) is used in conjunction with differential scanning calorimetry (DSC) to identify 18 polymer samples and…

ATR-FTIR Spectroscopy in the Undergraduate Chemistry Laboratory: Part II--A Physical Chemistry Laboratory Experiment on Surface Adsorption

ERIC Educational Resources Information Center

Schuttlefield, Jennifer D.; Larsen, Sarah C.; Grassian, Vicki H.

2008-01-01

Attenuated total reflectance-Fourier transform infrared (ATR-FTIR) spectroscopy is a useful technique for measuring the infrared spectra of solids and liquids as well as probing adsorption on particle surfaces. The use of FTIR-ATR spectroscopy in organic and inorganic chemistry laboratory courses as well as in undergraduate research was presented…

Measuring Heterogeneous Reaction Rates with ATR-FTIR Spectroscopy to Evaluate Chemical Fates in an Atmospheric Environment: A Physical Chemistry and Environmental Chemistry Laboratory Experiment

ERIC Educational Resources Information Center

Roberts, Jason E.; Zeng, Guang; Maron, Marta K.; Mach, Mindy; Dwebi, Iman; Liu, Yong

2016-01-01

This paper reports an undergraduate laboratory experiment to measure heterogeneous liquid/gas reaction kinetics (ozone-oleic acid and ozone-phenothrin) using a flow reactor coupled to an attenuated total reflectance-Fourier transform infrared (ATR-FTIR) spectrometer. The experiment is specially designed for an upper-level undergraduate Physical…

Application of multibounce attenuated total reflectance fourier transform infrared spectroscopy and chemometrics for determination of aspartame in soft drinks.

PubMed

Khurana, Harpreet Kaur; Cho, Il Kyu; Shim, Jae Yong; Li, Qing X; Jun, Soojin

2008-02-13

Aspartame is a low-calorie sweetener commonly used in soft drinks; however, the maximum usage dose is limited by the U.S. Food and Drug Administration. Fourier transform infrared (FTIR) spectroscopy with attenuated total reflectance sampling accessory and partial least-squares regression (PLS) was used for rapid determination of aspartame in soft drinks. On the basis of spectral characterization, the highest R2 value, and lowest PRESS value, the spectral region between 1600 and 1900 cm(-1) was selected for quantitative estimation of aspartame. The potential of FTIR spectroscopy for aspartame quantification was examined and validated by the conventional HPLC method. Using the FTIR method, aspartame contents in four selected carbonated diet soft drinks were found to average from 0.43 to 0.50 mg/mL with prediction errors ranging from 2.4 to 5.7% when compared with HPLC measurements. The developed method also showed a high degree of accuracy because real samples were used for calibration, thus minimizing potential interference errors. The FTIR method developed can be suitably used for routine quality control analysis of aspartame in the beverage-manufacturing sector.

Application of multivariate chemometric techniques for simultaneous determination of five parameters of cottonseed oil by single bounce attenuated total reflectance Fourier transform infrared spectroscopy.

PubMed

Talpur, M Younis; Kara, Huseyin; Sherazi, S T H; Ayyildiz, H Filiz; Topkafa, Mustafa; Arslan, Fatma Nur; Naz, Saba; Durmaz, Fatih; Sirajuddin

2014-11-01

Single bounce attenuated total reflectance (SB-ATR) Fourier transform infrared (FTIR) spectroscopy in conjunction with chemometrics was used for accurate determination of free fatty acid (FFA), peroxide value (PV), iodine value (IV), conjugated diene (CD) and conjugated triene (CT) of cottonseed oil (CSO) during potato chips frying. Partial least square (PLS), stepwise multiple linear regression (SMLR), principal component regression (PCR) and simple Beer׳s law (SBL) were applied to develop the calibrations for simultaneous evaluation of five stated parameters of cottonseed oil (CSO) during frying of French frozen potato chips at 170°C. Good regression coefficients (R(2)) were achieved for FFA, PV, IV, CD and CT with value of >0.992 by PLS, SMLR, PCR, and SBL. Root mean square error of prediction (RMSEP) was found to be less than 1.95% for all determinations. Result of the study indicated that SB-ATR FTIR in combination with multivariate chemometrics could be used for accurate and simultaneous determination of different parameters during the frying process without using any toxic organic solvent. Copyright © 2014 Elsevier B.V. All rights reserved.

Measurement of drug and macromolecule diffusion across atherosclerotic rabbit aorta ex vivo by attenuated total reflection-Fourier transform infrared imaging

NASA Astrophysics Data System (ADS)

Palombo, Francesca; Danoux, Charlène B.; Weinberg, Peter D.; Kazarian, Sergei G.

2009-07-01

Diffusion of two model drugs-benzyl nicotinate and ibuprofen-and the plasma macromolecule albumin across atherosclerotic rabbit aorta was studied ex vivo by attenuated total reflection-Fourier transform infrared (ATR-FTIR) imaging. Solutions of these molecules were applied to the endothelial surface of histological sections of the aortic wall that were sandwiched between two impermeable surfaces. An array of spectra, each corresponding to a specific location in the section, was obtained at various times during solute diffusion into the wall and revealed the distribution of the solutes within the tissue. Benzyl nicotinate in Ringer's solution showed higher affinity for atherosclerotic plaque than for apparently healthy tissue. Transmural concentration profiles for albumin demonstrated its permeation across the section and were consistent with a relatively low distribution volume for the macromolecule in the middle of the wall. The ability of albumin to act as a drug carrier for ibuprofen, otherwise undetected within the tissue, was demonstrated by multivariate subtraction image analysis. In conclusion, ATR-FTIR imaging can be used to study transport processes in tissue samples with high spatial and temporal resolution and without the need to label the solutes under study.

Rapid determination of Swiss cheese composition by Fourier transform infrared/attenuated total reflectance spectroscopy.

PubMed

Rodriguez-Saona, L E; Koca, N; Harper, W J; Alvarez, V B

2006-05-01

There is a need for rapid and simple techniques that can be used to predict the quality of cheese. The aim of this research was to develop a simple and rapid screening tool for monitoring Swiss cheese composition by using Fourier transform infrared spectroscopy. Twenty Swiss cheese samples from different manufacturers and degree of maturity were evaluated. Direct measurements of Swiss cheese slices (approximately 0.5 g) were made using a MIRacle 3-reflection diamond attenuated total reflectance (ATR) accessory. Reference methods for moisture (vacuum oven), protein content (Kjeldahl), and fat (Babcock) were used. Calibration models were developed based on a cross-validated (leave-one-out approach) partial least squares regression. The information-rich infrared spectral range for Swiss cheese samples was from 3,000 to 2,800 cm(-1) and 1,800 to 900 cm(-1). The performance statistics for cross-validated models gave estimates for standard error of cross-validation of 0.45, 0.25, and 0.21% for moisture, protein, and fat respectively, and correlation coefficients r > 0.96. Furthermore, the ATR infrared protocol allowed for the classification of cheeses according to manufacturer and aging based on unique spectral information, especially of carbonyl groups, probably due to their distinctive lipid composition. Attenuated total reflectance infrared spectroscopy allowed for the rapid (approximately 3-min analysis time) and accurate analysis of the composition of Swiss cheese. This technique could contribute to the development of simple and rapid protocols for monitoring complex biochemical changes, and predicting the final quality of the cheese.

Spatial-Heterodyne Interferometry For Reflection And Transm Ission (Shirt) Measurements

DOEpatents

Hanson, Gregory R [Clinton, TN; Bingham, Philip R [Knoxville, TN; Tobin, Ken W [Harriman, TN

2006-02-14

Systems and methods are described for spatial-heterodyne interferometry for reflection and transmission (SHIRT) measurements. A method includes digitally recording a first spatially-heterodyned hologram using a first reference beam and a first object beam; digitally recording a second spatially-heterodyned hologram using a second reference beam and a second object beam; Fourier analyzing the digitally recorded first spatially-heterodyned hologram to define a first analyzed image; Fourier analyzing the digitally recorded second spatially-heterodyned hologram to define a second analyzed image; digitally filtering the first analyzed image to define a first result; and digitally filtering the second analyzed image to define a second result; performing a first inverse Fourier transform on the first result, and performing a second inverse Fourier transform on the second result. The first object beam is transmitted through an object that is at least partially translucent, and the second object beam is reflected from the object.

Detection of starch adulteration in onion powder by FT-NIR and FT-IR spectroscopy

USDA-ARS?s Scientific Manuscript database

Adulteration of onion powder with cornstarch was identified by Fourier transform near-infrared (FT-NIR) and Fourier transform infrared (FT-IR) spectroscopy. The reflectance spectra of 180 pure and adulterated samples (1–35 wt% starch) were collected and preprocessed to generate calibration and predi...

Characterization of interaction between natural rubber and silica by FTIR

NASA Astrophysics Data System (ADS)

Jarnthong, Methakarn; Liao, Lusheng; Zhang, Fuquan; Wang, Yueqiong; Li, Puwang; Peng, Zheng; Malawet, Chutarat; Intharapat, Punyanich

2017-05-01

Blending of natural rubber (NR) and nanosilica (SiO2) was performed in latex state. The mechanical properties of NR/SiO2 nanocomposites at various filler contents were investigated. The interactions of unvulcanized natural rubber and nanosilica filler were characterized using Fourier Transform Infrared (FTIR)-Attenuated Total Reflectance (ATR) spectroscopy. The relationship between mechanical properties and rubber-filler interaction was discussed.

Attenuated Total Reflectance Fourier transform infrared spectroscopy for determination of long chain free fatty acid concentration in oily wastewater using the double wavenumber extrapolation technique

USDA-ARS?s Scientific Manuscript database

Long Chain Free Fatty Acids (LCFFAs) from the hydrolysis of fat, oil and grease (FOG) are major components in the formation of insoluble saponified solids known as FOG deposits that accumulate in sewer pipes and lead to sanitary sewer overflows (SSOs). A Double Wavenumber Extrapolative Technique (DW...

Use of attenuated total reflection Fourier transform infrared (ATR FT-IR) spectroscopy in direct, non-destructive, and rapid assessment of developmental cotton fibers grown in planta and in culture

USDA-ARS?s Scientific Manuscript database

Cotton fibers are routinely harvested from cotton plants (in planta), and their end-use qualities depend on their development stages. Cotton fibers are also cultured at controlled laboratory environments, so that cotton researchers can investigate many aspects of experimental protocols in cotton bre...

Nondestructive Handheld Fourier Transform Infrared (FT-IR) Analysis of Spectroscopic Changes and Multivariate Modeling of Thermally Degraded Plain Portland Cement Concrete and its Slag and Fly Ash-Based Analogs.

PubMed

Leung Tang, Pik; Alqassim, Mohammad; Nic Daéid, Niamh; Berlouis, Leonard; Seelenbinder, John

2016-05-01

Concrete is by far the world's most common construction material. Modern concrete is a mixture of industrial pozzolanic cement formulations and aggregate fillers. The former acts as the glue or binder in the final inorganic composite; however, when exposed to a fire the degree of concrete damage is often difficult to evaluate nondestructively. Fourier transform infrared (FT-IR) spectroscopy through techniques such as transmission, attenuated total reflectance, and diffuse reflectance have been rarely used to evaluate thermally damaged concrete. In this paper, we report on a study assessing the thermal damage of concrete via the use of a nondestructive handheld FT-IR with a diffuse reflectance sample interface. In situ measurements can be made on actual damaged areas, without the need for sample preparation. Separate multivariate models were developed to determine the equivalent maximal temperature endured for three common industrial concrete formulations. The concrete mixtures were successfully modeled displaying high predictive power as well as good specificity. This has potential uses in forensic investigation and remediation services particularly for fires in buildings. © The Author(s) 2016.

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

Starace, Anne K.; Evans, Robert J.; Lee, David D.

A variety of hardwood, softwood, and herbaceous feedstocks (oak, southern yellow pine mix, loblolly pine, pinyon-juniper mix, and switchgrass) were each torrefied at 200, 250, and 300 °C. Each of the feedstocks was pyrolyzed and the resulting vapors were analyzed with a molecular beam mass spectrometer (py-MBMS). Compositional analysis was used to measure the total lignin content of three of the feedstocks (southern yellow pine, softwood; oak, hardwood; and switchgrass, herbaceous) before and after torrefaction at 300 °C, and large differences in the fraction of lignin lost during torrefaction were found between feedstocks, with oak having the largest decrease inmore » lignin during torrefaction and switchgrass having the least. Finally, it is hypothesized that these differences in the thermal degradation are due to, in part, the different ratios of S, G, and H lignins in the feedstocks. Additionally, the torrefaction of kraft lignin was studied using thermogravimetric analysis coupled with Fourier transform infrared spectroscopy (TGA-FTIR) and attenuated total reflectance Fourier transform infrared spectroscopy (ATR-FTIR).« less

Fourier transform infrared evanescent wave (FTIR-FEW) spectroscopy of tissue

NASA Astrophysics Data System (ADS)

Bruch, Reinhard F.; Sukuta, Sydney; Afanasyeva, Natalia I.; Kolyakov, Sergei F.; Butvina, Leonid N.

1997-05-01

A new Fourier transform infrared fiberoptic evanescent wave (FTIR-FEW) spectroscopy method has been developed for tissue diagnostics in the middle infrared (MIR) wavelength range (3 to 20 micrometers). Specific novel fiberoptical chemical and biological sensors have been studied and used for spectroscopic diagnostic purposes. These nontoxic and nonhygroscopic fiber sensors are characterized by (1) low optical losses (0.05 to 0.2 dB/m at about 10 micrometer) and (2) high flexibility. Our new fiber optical devices can be utilized with standard commercially available Fourier transform spectrometers including attenuated total reflection (ATR) techniques. They are in particular ideally suited for noninvasive, fast, direct, sensitive investigations of in vivo and ex vivo medical diagnostics applications. Here we present data on IR spectra of skin tissue in vivo for various cases of melanoma and nevus in the range of 1480 - 1800 cm-1. The interpretation of the spectra of healthy and different stages of tumor and cancer skin tissue clearly indicates that this technique can be used for precancer and cancer diagnostics. This technique can be designed for real-time and on-line computer modeling and analysis of tissue changes.

Characterization of developmental immature fiber (im) mutant and Texas Marker-1 (TM-1) cotton fibers by Attenuated Total Reflection Fourier Transform Infrared (ATR FT-IR) spectroscopy

USDA-ARS?s Scientific Manuscript database

The immature fiber (im) mutant is one type of cotton fiber mutants with unique characteristics of non-fluffy cotton bolls. Compared to its near-isogenic wild type Texas Marker-1 (TM-1), im fiber has thin secondary cell wall and is less mature. In this work, we applied the previously proposed princip...

Attenuated Total Reflection Fourier Transform Infrared (ATR FT-IR) Spectroscopy as a Forensic Method to Determine the Composition of Inks Used to Print the United States One-cent Blue Benjamin Franklin Postage Stamps of the 19th Century.

PubMed

Brittain, Harry G

2016-01-01

Through the combined use of infrared (IR) absorption spectroscopy and attenuated total reflectance (ATR) sampling, the composition of inks used to print the many different types of one-cent Benjamin Franklin stamps of the 19th century has been established. This information permits a historical evaluation of the formulations used at various times, and also facilitates the differentiation of the various stamps from each other. In two instances, the ink composition permits the unambiguous identification of stamps whose appearance is identical, and which (until now) have only been differentiated through estimates of the degree of hardness or softness of the stamp paper, or through the presence or absence of a watermark in the paper. In these instances, the use of ATR Fourier transform infrared spectroscopy (FT-IR) spectroscopy effectively renders irrelevant two 100-year-old practices of stamp identification. Furthermore, since the use of ATR sampling makes it possible to obtain the spectrum of a stamp still attached to its cover, it is no longer necessary to identify these blue Franklin stamps using their cancellation dates. © The Author(s) 2015.

Identification of fungal phytopathogens using Fourier transform infrared-attenuated total reflection spectroscopy and advanced statistical methods

NASA Astrophysics Data System (ADS)

Salman, Ahmad; Lapidot, Itshak; Pomerantz, Ami; Tsror, Leah; Shufan, Elad; Moreh, Raymond; Mordechai, Shaul; Huleihel, Mahmoud

2012-01-01

The early diagnosis of phytopathogens is of a great importance; it could save large economical losses due to crops damaged by fungal diseases, and prevent unnecessary soil fumigation or the use of fungicides and bactericides and thus prevent considerable environmental pollution. In this study, 18 isolates of three different fungi genera were investigated; six isolates of Colletotrichum coccodes, six isolates of Verticillium dahliae and six isolates of Fusarium oxysporum. Our main goal was to differentiate these fungi samples on the level of isolates, based on their infrared absorption spectra obtained using the Fourier transform infrared-attenuated total reflection (FTIR-ATR) sampling technique. Advanced statistical and mathematical methods: principal component analysis (PCA), linear discriminant analysis (LDA), and k-means were applied to the spectra after manipulation. Our results showed significant spectral differences between the various fungi genera examined. The use of k-means enabled classification between the genera with a 94.5% accuracy, whereas the use of PCA [3 principal components (PCs)] and LDA has achieved a 99.7% success rate. However, on the level of isolates, the best differentiation results were obtained using PCA (9 PCs) and LDA for the lower wavenumber region (800-1775 cm-1), with identification success rates of 87%, 85.5%, and 94.5% for Colletotrichum, Fusarium, and Verticillium strains, respectively.

Determination of layer ordering using sliding-window Fourier transform of x-ray reflectivity data

NASA Astrophysics Data System (ADS)

Smigiel, E.; Knoll, A.; Broll, N.; Cornet, A.

1998-01-01

X-ray reflectometry allows the determination of the thickness, density and roughness of thin layers on a substrate from several Angstroms to some hundred nanometres. The thickness is determined by simulation with trial-and-error methods after extracting initial values of the layer thicknesses from the result of a classical Fast Fourier Transform (FFT) of the reflectivity data. However, the order information of the layers is lost during classical FFT. The order of the layers has then to be known a priori. In this paper, it will be shown that the order of the layers can be obtained by a sliding-window Fourier transform, the so-called Gabor representation. This joint time-frequency analysis allows the direct determination of the order of the layers and, therefore, the use of a more appropriate starting model for refining simulations. A simulated and a measured example show the interest of this method.

Baseline correction combined partial least squares algorithm and its application in on-line Fourier transform infrared quantitative analysis.

PubMed

Peng, Jiangtao; Peng, Silong; Xie, Qiong; Wei, Jiping

2011-04-01

In order to eliminate the lower order polynomial interferences, a new quantitative calibration algorithm "Baseline Correction Combined Partial Least Squares (BCC-PLS)", which combines baseline correction and conventional PLS, is proposed. By embedding baseline correction constraints into PLS weights selection, the proposed calibration algorithm overcomes the uncertainty in baseline correction and can meet the requirement of on-line attenuated total reflectance Fourier transform infrared (ATR-FTIR) quantitative analysis. The effectiveness of the algorithm is evaluated by the analysis of glucose and marzipan ATR-FTIR spectra. BCC-PLS algorithm shows improved prediction performance over PLS. The root mean square error of cross-validation (RMSECV) on marzipan spectra for the prediction of the moisture is found to be 0.53%, w/w (range 7-19%). The sugar content is predicted with a RMSECV of 2.04%, w/w (range 33-68%). Copyright © 2011 Elsevier B.V. All rights reserved.

Fourier-transform infrared spectroscopy for rapid screening and live-cell monitoring: application to nanotoxicology.

PubMed

Sundaram, S K; Sacksteder, Colette A; Weber, Thomas J; Riley, Brian J; Addleman, R Shane; Harrer, Bruce J; Peterman, John W

2013-01-01

A significant challenge to realize the full potential of nanotechnology for therapeutic and diagnostic applications is to understand and evaluate how live cells interact with an external stimulus, such as a nanosized particle, and the toxicity and broad risk associated with these stimuli. It is difficult to capture the complexity and dynamics of these interactions by following omics-based approaches exclusively, which can be expensive and time-consuming. Attenuated total reflectance-Fourier transform infrared spectroscopy is well suited to provide noninvasive live-cell monitoring of cellular responses to potentially toxic nanosized particles or other stimuli. This alternative approach provides the ability to carry out rapid toxicity screenings and nondisruptive monitoring of live-cell cultures. We review the technical basis of the approach, the instrument configuration and interface with the biological media, the various effects that impact the data, subsequent data analysis and toxicity, and present some preliminary results on live-cell monitoring.

Study of high speed complex number algorithms. [for determining antenna for field radiation patterns

NASA Technical Reports Server (NTRS)

Heisler, R.

1981-01-01

A method of evaluating the radiation integral on the curved surface of a reflecting antenna is presented. A three dimensional Fourier transform approach is used to generate a two dimensional radiation cross-section along a planer cut at any angle phi through the far field pattern. Salient to the method is an algorithm for evaluating a subset of the total three dimensional discrete Fourier transform results. The subset elements are selectively evaluated to yield data along a geometric plane of constant. The algorithm is extremely efficient so that computation of the induced surface currents via the physical optics approximation dominates the computer time required to compute a radiation pattern. Application to paraboloid reflectors with off-focus feeds in presented, but the method is easily extended to offset antenna systems and reflectors of arbitrary shapes. Numerical results were computed for both gain and phase and are compared with other published work.

Helicity, membrane incorporation, orientation and thermal stability of the large conductance mechanosensitive ion channel from E. coli

NASA Technical Reports Server (NTRS)

Arkin, I. T.; Sukharev, S. I.; Blount, P.; Kung, C.; Brunger, A. T.

1998-01-01

In this report, we present structural studies on the large conductance mechanosensitive ion channel (MscL) from E. coli in detergent micelles and lipid vesicles. Both transmission Fourier transform infrared spectroscopy and circular dichroism (CD) spectra indicate that the protein is highly helical in detergents as well as liposomes. The secondary structure of the proteins was shown to be highly resistant towards denaturation (25-95 degrees C) based on an ellipticity thermal profile. Amide H+/D+ exchange was shown to be extensive (ca. 66%), implying that two thirds of the protein are water accessible. MscL, reconstituted in oriented lipid bilayers, was shown to possess a net bilayer orientation using dichroic ratios measured by attenuated total-reflection Fourier transform infrared spectroscopy. Here, we present and discuss this initial set of structural data on this new family of ion-channel proteins.

Off-axis illumination direct-to-digital holography

DOEpatents

Thomas, Clarence E.; Price, Jeffery R.; Voelkl, Edgar; Hanson, Gregory R.

2004-06-08

Systems and methods are described for off-axis illumination direct-to-digital holography. A method of recording an off-axis illuminated spatially heterodyne hologram including spatially heterodyne fringes for Fourier analysis, includes: reflecting a reference beam from a reference mirror at a non-normal angle; reflecting an object beam from an object at an angle with respect to an optical axis defined by a focusing lens; focusing the reference beam and the object beam at a focal plane of a digital recorder to form the off-axis illuminated spatially heterodyne hologram including spatially heterodyne fringes for Fourier analysis; digitally recording the off-axis illuminated spatially heterodyne hologram including spatially heterodyne fringes for Fourier analysis; Fourier analyzing the recorded off-axis illuminated spatially heterodyne hologram including spatially heterodyne fringes by transforming axes of the recorded off-axis illuminated spatially heterodyne hologram including spatially heterodyne fringes in Fourier space to sit on top of a heterodyne carrier frequency defined as an angle between the reference beam and the object beam; applying a digital filter to cut off signals around an original origin; and then performing an inverse Fourier transform.

Effects of Torrefaction Temperature on Pyrolysis Vapor Products of Woody and Herbaceous Feedstocks

DOE PAGES

Starace, Anne K.; Evans, Robert J.; Lee, David D.; ...

2016-06-17

A variety of hardwood, softwood, and herbaceous feedstocks (oak, southern yellow pine mix, loblolly pine, pinyon-juniper mix, and switchgrass) were each torrefied at 200, 250, and 300 °C. Each of the feedstocks was pyrolyzed and the resulting vapors were analyzed with a molecular beam mass spectrometer (py-MBMS). Compositional analysis was used to measure the total lignin content of three of the feedstocks (southern yellow pine, softwood; oak, hardwood; and switchgrass, herbaceous) before and after torrefaction at 300 °C, and large differences in the fraction of lignin lost during torrefaction were found between feedstocks, with oak having the largest decrease inmore » lignin during torrefaction and switchgrass having the least. Finally, it is hypothesized that these differences in the thermal degradation are due to, in part, the different ratios of S, G, and H lignins in the feedstocks. Additionally, the torrefaction of kraft lignin was studied using thermogravimetric analysis coupled with Fourier transform infrared spectroscopy (TGA-FTIR) and attenuated total reflectance Fourier transform infrared spectroscopy (ATR-FTIR).« less

Determination of trans Fat in Selected Fast Food Products and Hydrogenated Fats of India Using Attenuated Total Reflection Fourier Transform Infrared (ATR-FTIR) Spectroscopy.

PubMed

Khan, Mohd Umar; Hassan, Mohammad Fahimul; Rauf, Abdul

2017-01-01

This paper reports the application of a simple and rapid method for the determination of trans fatty acid (TFA) content in some of the selected Indian fast food products and hydrogenated fats using Fourier transform infrared (FTIR) spectroscopy in conjunction with second derivative procedure. FTIR spectroscopy has been successfully applied to trans measurement using the absorbance bands at or near 966 cm -1 in the FTIR spectra. It was found from the analysis that TFA content of fast food product was ranging from 1.57% to 3.83% of the total fat while for hydrogenated fats, comparatively large quantity of TFA was detected in the range of 3.31% to 4.73%. Since GC-FID is most widely used method for the determination of fatty acid (FA) composition, this method was used for the sake of comparison. Value of regression coefficient was found very close to one (0.99503) with standard deviation of 0.10247 showing a good agreement between GC-FID and proposed ATR-FTIR method.

Rapid prediction of phenolic compounds and antioxidant activity of Sudanese honey using Raman and Fourier transform infrared (FT-IR) spectroscopy.

PubMed

Tahir, Haroon Elrasheid; Xiaobo, Zou; Zhihua, Li; Jiyong, Shi; Zhai, Xiaodong; Wang, Sheng; Mariod, Abdalbasit Adam

2017-07-01

Fourier transform infrared with attenuated total reflectance (FTIR-ATR) and Raman spectroscopy combined with partial least square regression (PLSR) were applied for the prediction of phenolic compounds and antioxidant activity in honey. Standards of catechin, syringic, vanillic, and chlorogenic acids were used for the identification and quantification of the individual phenolic compounds in six honey varieties using HPLC-DAD. Total antioxidant activity (TAC) and ferrous chelating capacity were measured spectrophotometrically. For the establishment of PLSR model, Raman spectra with Savitzky-Golay smoothing in wavenumber region 1500-400cm -1 was used while for FTIR-ATR the wavenumber regions of 1800-700 and 3000-2800cm -1 with multiplicative scattering correction (MSC) and Savitzky-Golay smoothing were used. The determination coefficients (R 2 ) were ranged from 0.9272 to 0.9992 for Raman while from 0.9461 to 0.9988 for FTIT-ART. The FTIR-ATR and Raman demonstrated to be simple, rapid and nondestructive methods to quantify phenolic compounds and antioxidant activities in honey. Copyright © 2017 Elsevier Ltd. All rights reserved.

Determination of protein concentration in raw milk by mid-infrared fourier transform infrared/attenuated total reflectance spectroscopy.

PubMed

Etzion, Y; Linker, R; Cogan, U; Shmulevich, I

2004-09-01

This study investigates the potential use of attenuated total reflectance spectroscopy in the mid-infrared range for determining protein concentration in raw cow milk. The determination of protein concentration is based on the characteristic absorbance of milk proteins, which includes 2 absorbance bands in the 1500 to 1700 cm(-1) range, known as the amide I and amide II bands, and absorbance in the 1060 to 1100 cm(-1) range, which is associated with phosphate groups covalently bound to casein proteins. To minimize the influence of the strong water band (centered around 1640 cm(-1)) that overlaps with the amide I and amide II bands, an optimized automatic procedure for accurate water subtraction was applied. Following water subtraction, the spectra were analyzed by 3 methods, namely simple band integration, partial least squares (PLS) and neural networks. For the neural network models, the spectra were first decomposed by principal component analysis (PCA), and the neural network inputs were the spectra principal components scores. In addition, the concentrations of 2 constituents expected to interact with the protein (i.e., fat and lactose) were also used as inputs. These approaches were tested with 235 spectra of standardized raw milk samples, corresponding to 26 protein concentrations in the 2.47 to 3.90% (weight per volume) range. The simple integration method led to very poor results, whereas PLS resulted in prediction errors of about 0.22% protein. The neural network approach led to prediction errors of 0.20% protein when based on PCA scores only, and 0.08% protein when lactose and fat concentrations were also included in the model. These results indicate the potential usefulness of Fourier transform infrared/attenuated total reflectance spectroscopy for rapid, possibly online, determination of protein concentration in raw milk.

Application of the Polynomial-Based Least Squares and Total Least Squares Models for the Attenuated Total Reflection Fourier Transform Infrared Spectra of Binary Mixtures of Hydroxyl Compounds.

PubMed

Shan, Peng; Peng, Silong; Zhao, Yuhui; Tang, Liang

2016-03-01

An analysis of binary mixtures of hydroxyl compound by Attenuated Total Reflection Fourier transform infrared spectroscopy (ATR FT-IR) and classical least squares (CLS) yield large model error due to the presence of unmodeled components such as H-bonded components. To accommodate these spectral variations, polynomial-based least squares (LSP) and polynomial-based total least squares (TLSP) are proposed to capture the nonlinear absorbance-concentration relationship. LSP is based on assuming that only absorbance noise exists; while TLSP takes both absorbance noise and concentration noise into consideration. In addition, based on different solving strategy, two optimization algorithms (limited-memory Broyden-Fletcher-Goldfarb-Shanno (LBFGS) algorithm and Levenberg-Marquardt (LM) algorithm) are combined with TLSP and then two different TLSP versions (termed as TLSP-LBFGS and TLSP-LM) are formed. The optimum order of each nonlinear model is determined by cross-validation. Comparison and analyses of the four models are made from two aspects: absorbance prediction and concentration prediction. The results for water-ethanol solution and ethanol-ethyl lactate solution show that LSP, TLSP-LBFGS, and TLSP-LM can, for both absorbance prediction and concentration prediction, obtain smaller root mean square error of prediction than CLS. Additionally, they can also greatly enhance the accuracy of estimated pure component spectra. However, from the view of concentration prediction, the Wilcoxon signed rank test shows that there is no statistically significant difference between each nonlinear model and CLS. © The Author(s) 2016.

[Measurements of the concentration of atmospheric CO2 based on OP/FTIR method and infrared reflecting scanning Fourier transform spectrometry].

PubMed

Wei, Ru-Yi; Zhou, Jin-Song; Zhang, Xue-Min; Yu, Tao; Gao, Xiao-Hui; Ren, Xiao-Qiang

2014-11-01

The present paper describes the observations and measurements of the infrared absorption spectra of CO2 on the Earth's surface with OP/FTIR method by employing a mid-infrared reflecting scanning Fourier transform spectrometry, which are the first results produced by the first prototype in China developed by the team of authors. This reflecting scanning Fourier transform spectrometry works in the spectral range 2 100-3 150 cm(-1) with a spectral resolution of 2 cm(-1). Method to measure the atmospheric molecules was described and mathematical proof and quantitative algorithms to retrieve molecular concentration were established. The related models were performed both by a direct method based on the Beer-Lambert Law and by a simulating-fitting method based on HITRAN database and the instrument functions. Concentrations of CO2 were retrieved by the two models. The results of observation and modeling analyses indicate that the concentrations have a distribution of 300-370 ppm, and show tendency that going with the variation of the environment they first decrease slowly and then increase rapidly during the observation period, and reached low points in the afternoon and during the sunset. The concentrations with measuring times retrieved by the direct method and by the simulating-fitting method agree with each other very well, with the correlation of all the data is up to 99.79%, and the relative error is no more than 2.00%. The precision for retrieving is relatively high. The results of this paper demonstrate that, in the field of detecting atmospheric compositions, OP/FTIR method performed by the Infrared reflecting scanning Fourier transform spectrometry is a feasible and effective technical approach, and either the direct method or the simulating-fitting method is capable of retrieving concentrations with high precision.

Adsorption of water and butanol in silicalite-1 film studied with in situ attenuated total reflectance-Fourier transform infrared spectroscopy.

PubMed

Farzaneh, Amirfarrokh; Zhou, Ming; Potapova, Elisaveta; Bacsik, Zoltán; Ohlin, Lindsay; Holmgren, Allan; Hedlund, Jonas; Grahn, Mattias

2015-05-05

Biobutanol produced by, e.g., acetone-butanol-ethanol (ABE) fermentation is a promising alternative to petroleum-based chemicals as, e.g., solvent and fuel. Recovery of butanol from dilute fermentation broths by hydrophobic membranes and adsorbents has been identified as a promising route. In this work, the adsorption of water and butanol vapor in a silicalite-1 film was studied using in situ attenuated total reflectance-Fourier transform infrared (ATR-FTIR) spectroscopy to better understand the adsorption properties of silicalite-1 membranes and adsorbents. Single-component adsorption isotherms were determined in the temperature range of 35-120 °C, and the Langmuir model was successfully fitted to the experimental data. The adsorption of butanol is very favorable compared to that of water. When the silicalite-1 film was exposed to a butanol/water vapor mixture with 15 mol % butanol (which is the vapor composition of an aqueous solution containing 2 wt % butanol, a typical concentration in an ABE fermentation broth, i.e., the composition of the gas obtained from gas stripping of an ABE broth) at 35 °C, the adsorption selectivity toward butanol was as high as 107. These results confirm that silicalite-1 quite selectively adsorbs hydrocarbons from vapor mixtures. To the best of our knowledge, this is the first comprehensive study on the adsorption of water and butanol in silicalite-1 from vapor phase.

Attenuated Total Reflectance-Fourier Transform Infrared Spectroscopy on Intact Dried Leaves of Sage (Salvia officinalis L.): Accelerated Chemotaxonomic Discrimination and Analysis of Essential Oil Composition.

PubMed

Gudi, Gennadi; Krähmer, Andrea; Krüger, Hans; Schulz, Hartwig

2015-10-07

Sage (Salvia officinalis L.) is cultivated worldwide for its aromatic leaves, which are used as herbal spice, and for phytopharmaceutical applications. Fast analytical strategies for essential oil analysis, performed directly on plant material, would reduce the delay between sampling and analytical results. This would enhance product quality by improving technical control of cultivation. The attenuated total reflectance-Fourier transform infrared spectroscopy (ATR-FTIR) method described here provides a reliable calibration model for quantification of essential oil components [EOCs; R(2) = 0.96; root-mean-square error of cross-validation (RMSECV) = 0.249 mL 100 g(-1) of dry matter (DM); and range = 1.115-5.280 mL 100 g(-1) of DM] and main constituents [e.g., α-thujone/β-thujone; R(2) = 0.97/0.86; RMSECV = 0.0581/0.0856 mL 100 g(-1) of DM; and range = 0.010-1.252/0.005-0.893 mL 100 g(-1) of DM] directly on dried intact leaves of sage. Except for drying, no further sample preparation is required for ATR-FTIR, and the measurement time of less than 5 min per sample contrasts with the most common alternative of hydrodistillation followed by gas chromatography analysis, which can take several hours per sample.

Fourier transform infrared attenuated total reflection analysis of human hair: comparison of hair from breast cancer patients with hair from healthy subjects.

PubMed

Lyman, Donald J; Murray-Wijelath, Jacqueline

2005-01-01

A comparative study of Fourier transform infrared attenuated total reflection (FTIR-ATR) spectra of 32 scalp and pubic hair samples from individuals diagnosed with breast cancer and those who were negative for breast cancer showed increases in the beta-sheet/disorder structures (relative to alpha-helix structures) and C-H lipid content of hair from breast cancer patients. Thus, the presence of breast cancer appears to alter the hair growth process, resulting in changes in the composition and conformation of cell membrane and matrix materials of hair fiber. These appear to be consistent with the changes observed in X-ray diffraction patterns for hair from breast cancer patients. A blind study of 12 additional hair samples using these FTIR-ATR spectral differences as markers correctly identified all four hair samples from cancer patients (100%). Two of these samples were from breast cancer patients. Of the remaining two samples analyzing positive for cancer, one was from a prostate cancer patient and one from a lung cancer patient. Thus, it appears that the mechanism that alters hair fiber synthesis in the three types of cancer may be similar. The blind study incorrectly identified as positive for cancer three hair samples from two apparently healthy individuals and one patient considered cured from prostate cancer.

Binding of transducin and transducin-derived peptides to rhodopsin studies by attenuated total reflection-Fourier transform infrared difference spectroscopy.

PubMed Central

Fahmy, K

1998-01-01

Fourier transform infrared difference spectroscopy combined with the attenuated total reflection technique allows the monitoring of the association of transducin with bovine photoreceptor membranes in the dark. Illumination causes infrared absorption changes linked to formation of the light-activated rhodopsin-transducin complex. In addition to the spectral changes normally associated with meta II formation, prominent absorption increases occur at 1735 cm-1, 1640 cm-1, 1550 cm-1, and 1517 cm-1. The D2O sensitivity of the broad carbonyl stretching band around 1735 cm-1 indicates that a carboxylic acid group becomes protonated upon formation of the activated complex. Reconstitution of rhodopsin into phosphatidylcholine vesicles has little influence on the spectral properties of the rhodopsin-transducin complex, whereas pH affects the intensity of the carbonyl stretching band. AC-terminal peptide comprising amino acids 340-350 of the transducin alpha-subunit reproduces the frequencies and isotope sensitivities of several of the transducin-induced bands between 1500 and 1800 cm-1, whereas an N-terminal peptide (aa 8-23) does not. Therefore, the transducin-induced absorption changes can be ascribed mainly to an interaction between the transducin-alpha C-terminus and rhodopsin. The 1735 cm-1 vibration is also seen in the complex with C-terminal peptides devoid of free carboxylic acid groups, indicating that the corresponding carbonyl group is located on rhodopsin. PMID:9726932

Fourier Transform Ultrasound Spectroscopy for the determination of wave propagation parameters.

PubMed

Pal, Barnana

2017-01-01

The reported results for ultrasonic wave attenuation constant (α) in pure water show noticeable inconsistency in magnitude. A "Propagating-Wave" model analysis of the most popular pulse-echo technique indicates that this is a consequence of the inherent wave propagation characteristics in a bounded medium. In the present work Fourier Transform Ultrasound Spectroscopy (FTUS) is adopted to determine ultrasonic wave propagation parameters, the wave number (k) and attenuation constant (α) at 1MHz frequency in tri-distilled water at room temperature (25°C). Pulse-echo signals obtained under same experimental conditions regarding the exciting input signal and reflecting boundary wall of the water container for various lengths of water columns are captured. The Fast Fourier Transform (FFT) components of the echo signals are taken to compute k, α and r, the reflection constant at the boundary, using Oak Ridge and Oxford method. The results are compared with existing literature values. Copyright © 2016 Elsevier B.V. All rights reserved.

Measurement of conjugated linoleic acid (CLA) in CLA-rich soy oil by attenuated total reflectance-Fourier transform infrared spectroscopy (ATR-FTIR).

PubMed

Kadamne, Jeta V; Jain, Vishal P; Saleh, Mohammed; Proctor, Andrew

2009-11-25

Conjugated linoleic acid (CLA) isomers in oils are currently measured as fatty acid methyl esters by a gas chromatography-flame ionization detector (GC-FID) technique, which requires approximately 2 h to complete the analysis. Hence, we aim to develop a method to rapidly determine CLA isomers in CLA-rich soy oil. Soy oil with 0.38-25.11% total CLA was obtained by photo-isomerization of 96 soy oil samples for 24 h. A sample was withdrawn at 30 min intervals with repeated processing using a second batch of oil. Six replicates of GC-FID fatty acid analysis were conducted for each oil sample. The oil samples were scanned using attenuated total reflectance-Fourier transform infrared spectroscopy (ATR-FTIR), and the spectrum was collected. Calibration models were developed using partial least-squares (PLS-1) regression using Unscrambler software. Models were validated using a full cross-validation technique and tested using samples that were not included in the calibration sample set. Measured and predicted total CLA, trans,trans CLA isomers, total mono trans CLA isomers, trans-10,cis-12 CLA, trans-9,cis-11 CLA and cis-10,trans-12 CLA, and cis-9,trans-11 CLA had cross-validated coefficients of determinations (R2v) of 0.97, 0.98, 0.97, 0.98, 0.97, and 0.99 and corresponding root-mean-square error of validation (RMSEV) of 1.14, 0.69, 0.27, 0.07, 0.14, and 0.07% CLA, respectively. The ATR-FTIR technique is a rapid and less expensive method for determining CLA isomers in linoleic acid photo-isomerized soy oil than GC-FID.

Beyond Fourier

NASA Astrophysics Data System (ADS)

Hoch, Jeffrey C.

2017-10-01

Non-Fourier methods of spectrum analysis are gaining traction in NMR spectroscopy, driven by their utility for processing nonuniformly sampled data. These methods afford new opportunities for optimizing experiment time, resolution, and sensitivity of multidimensional NMR experiments, but they also pose significant challenges not encountered with the discrete Fourier transform. A brief history of non-Fourier methods in NMR serves to place different approaches in context. Non-Fourier methods reflect broader trends in the growing importance of computation in NMR, and offer insights for future software development.

A hybrid silicon membrane spatial light modulator for optical information processing

NASA Technical Reports Server (NTRS)

Pape, D. R.; Hornbeck, L. J.

1984-01-01

A new two dimensional, fast, analog, electrically addressable, silicon based membrane spatial light modulator (SLM) was developed for optical information processing applications. Coherent light reflected from the mirror elements is phase modulated producing an optical Fourier transform of an analog signal input to the device. The DMD architecture and operating parameters related to this application are presented. A model is developed that describes the optical Fourier transform properties of the DMD.

Analysis of Counterfeit Coated Tablets and Multi-Layer Packaging Materials Using Infrared Microspectroscopic Imaging.

PubMed

Winner, Taryn L; Lanzarotta, Adam; Sommer, André J

2016-06-01

An effective method for detecting and characterizing counterfeit finished dosage forms and packaging materials is described in this study. Using attenuated total internal reflection Fourier transform infrared spectroscopic imaging, suspect tablet coating and core formulations as well as multi-layered foil safety seals, bottle labels, and cigarette tear tapes were analyzed and compared directly with those of a stored authentic product. The approach was effective for obtaining molecular information from structures as small as 6 μm.

Infrared Spectroscopy of Blood for Disease Identification

NASA Astrophysics Data System (ADS)

Pichardo, J. L.; Huerta-Franco, R.; Álvarez, R. R.; Bernal, J.; Gutiérrez-Juárez, G.; Palomares-Anda, P.

2003-09-01

Total reflectance attenuated infrared Fourier transform spectroscopy was used to analyze blood samples. Plasma and red blood cells were separated by centrifugation. The spectra were recorded from 200 to 4000 cm-1 under the same conditions for all samples. Samples of healthy donors were compared with those patients with different diseases (polycythemia and high blood pressure). Patients were under medical control at the time of the study. However, the preliminary results reveal that blood samples from healthy subjects had different infrared spectra compared to the non healthy patients.

Analysis of bacteria on steel surfaces using reflectance micro-Fourier transform infrared spectroscopy.

PubMed

Ojeda, Jesús J; Romero-González, María E; Banwart, Steven A

2009-08-01

Reflectance micro-Fourier transform infrared (FT-IR) analysis has been applied to characterize biofilm formation of Aquabacterium commune, a common microorganism present on drinking water distribution systems, onto the increasingly popular pipe material stainless steel EN1.4307. The applicability of the reflectance micro-FT-IR technique for analyzing the bacterial functional groups is discussed, and the results are compared to spectra obtained using more conventional FT-IR techniques: transmission micro-FT-IR, attenuated transmitted reflectance (ATR), and KBr pellets. The differences between the infrared spectra of wet and dried bacteria, as well as free versus attached bacteria, are also discussed. The spectra obtained using reflectance micro-FT-IR spectroscopy were comparable to those obtained using other FT-IR techniques. The absence of sample preparation, the potential to analyze intact samples, and the ability to characterize opaque and thick samples without the need to transfer the bacterial samples to an infrared transparent medium or produce a pure culture were the main advantages of reflectance micro-FT-IR spectroscopy.

Micro-attenuated total reflection spectral imaging in archaeology: application to Maya paint and plaster wall decorations.

PubMed

Goodall, Rosemary A; Hall, Jay; Sharer, Robert J; Traxler, Loa; Rintoul, Llew; Fredericks, Peter M

2008-01-01

Fourier transform infrared (FT-IR) attenuated total reflection (ATR) imaging has been successfully used to identify individual mineral components of ancient Maya paint. The high spatial resolution of a micro FT-IR-ATR system in combination with a focal plane array detector has allowed individual particles in the paint to be resolved and identified from their spectra. This system has been used in combination with micro-Raman spectroscopy to characterize the paint, which was found to be a mixture of hematite and silicate particles with minor amounts of calcite, carbon, and magnetite particles in a sub-micrometer hematite and calcite matrix. The underlying stucco was also investigated and found to be a combination of calcite with fine carbon particles, making a dark sub-ground for the paint.

FTIR Study of ATP-Induced Changes in Na+/K+-ATPase from Duck Supraorbital Glands

PubMed Central

Pratap, Promod R.; Dediu, Oana; Nienhaus, G. Ulrich

2003-01-01

The Na+/K+-ATPase uses energy from the hydrolysis of ATP to pump Na+ ions out of and K+ ions into the cell. ATP-induced conformational changes in the protein have been examined in the Na+/K+-ATPase isolated from duck supraorbital salt glands using Fourier transform infrared spectroscopy. Both standard transmission and attenuated total internal reflection sample geometries have been employed. Under transmission conditions, enzyme at 75 mg/ml was incubated with dimethoxybenzoin-caged ATP. ATP was released by flashing with a UV laser pulse at 355 nm, which resulted in a large change in the amide I band. The absorbance at 1659 cm−1 decreased with a concomitant increase in the absorbance at 1620 cm−1. These changes are consistent with a partial conversion of protein secondary structure from α-helix to β-sheet. The changes were ∼8% of the total absorbance, much larger than those seen with other P-type ATPases. Using attenuated total internal reflection Fourier transform infrared spectroscopy, the decrease in absorbance at ∼1650 cm−1 was titrated with ATP, and the titration midpoint K0.5 was determined under different ionic conditions. In the presence of metal ions (Na+, Na+ and K+, or Mg2+), K0.5 was on the order of a few μM. In the absence of these ions, K0.5 was an order of magnitude lower (0.1 μM), indicating a higher apparent affinity. This effect suggests that the equilibrium for the ATP-induced conformational changes is dependent on the presence of metal ions. PMID:14645062

Attenuated Total Reflectance Fourier transform infrared spectroscopy for determination of Long Chain Free Fatty Acid concentration in oily wastewater using the double wavenumber extrapolation technique.

PubMed

Hao, Zisu; Malyala, Divya; Dean, Lisa; Ducoste, Joel

2017-04-01

Long Chain Free Fatty Acids (LCFFAs) from the hydrolysis of fat, oil and grease (FOG) are major components in the formation of insoluble saponified solids known as FOG deposits that accumulate in sewer pipes and lead to sanitary sewer overflows (SSOs). A Double Wavenumber Extrapolative Technique (DWET) was developed to simultaneously measure LCFFAs and FOG concentrations in oily wastewater suspensions. This method is based on the analysis of the Attenuated Total Reflectance-Fourier transform infrared spectroscopy (ATR-FTIR) spectrum, in which the absorbance of carboxyl bond (1710cm -1 ) and triglyceride bond (1745cm -1 ) were selected as the characteristic wavenumbers for total LCFFAs and FOG, respectively. A series of experiments using pure organic samples (Oleic acid/Palmitic acid in Canola oil) were performed that showed a linear relationship between the absorption at these two wavenumbers and the total LCFFA. In addition, the DWET method was validated using GC analyses, which displayed a high degree of agreement between the two methods for simulated oily wastewater suspensions (1-35% Oleic acid in Canola oil/Peanut oil). The average determination error of the DWET approach was ~5% when the LCFFA fraction was above 10wt%, indicating that the DWET could be applied as an experimental method for the determination of both LCFFAs and FOG concentrations in oily wastewater suspensions. Potential applications of this DWET approach includes: (1) monitoring the LCFFAs and FOG concentrations in grease interceptor (GI) effluents for regulatory compliance; (2) evaluating alternative LCFFAs/FOG removal technologies; and (3) quantifying potential FOG deposit high accumulation zones in the sewer collection system. Published by Elsevier B.V.

Fourier Transform Infrared Spectroscopy (FTIR) and Multivariate Analysis for Identification of Different Vegetable Oils Used in Biodiesel Production

PubMed Central

Mueller, Daniela; Ferrão, Marco Flôres; Marder, Luciano; da Costa, Adilson Ben; de Cássia de Souza Schneider, Rosana

2013-01-01

The main objective of this study was to use infrared spectroscopy to identify vegetable oils used as raw material for biodiesel production and apply multivariate analysis to the data. Six different vegetable oil sources—canola, cotton, corn, palm, sunflower and soybeans—were used to produce biodiesel batches. The spectra were acquired by Fourier transform infrared spectroscopy using a universal attenuated total reflectance sensor (FTIR-UATR). For the multivariate analysis principal component analysis (PCA), hierarchical cluster analysis (HCA), interval principal component analysis (iPCA) and soft independent modeling of class analogy (SIMCA) were used. The results indicate that is possible to develop a methodology to identify vegetable oils used as raw material in the production of biodiesel by FTIR-UATR applying multivariate analysis. It was also observed that the iPCA found the best spectral range for separation of biodiesel batches using FTIR-UATR data, and with this result, the SIMCA method classified 100% of the soybean biodiesel samples. PMID:23539030

Detection of sugar adulterants in apple juice using fourier transform infrared spectroscopy and chemometrics.

PubMed

Kelly, J F Daniel; Downey, Gerard

2005-05-04

Fourier transform infrared spectroscopy and attenuated total reflection sampling have been used to detect adulteration of single strength apple juice samples. The sample set comprised 224 authentic apple juices and 480 adulterated samples. Adulterants used included partially inverted cane syrup (PICS), beet sucrose (BS), high fructose corn syrup (HFCS), and a synthetic solution of fructose, glucose, and sucrose (FGS). Adulteration was carried out on individual apple juice samples at levels of 10, 20, 30, and 40% w/w. Spectral data were compressed by principal component analysis and analyzed using k-nearest neighbors and partial least squares regression techniques. Prediction results for the best classification models achieved an overall (authentic plus adulterated) correct classification rate of 96.5, 93.9, 92.2, and 82.4% for PICS, BS, HFCS, and FGS adulterants, respectively. This method shows promise as a rapid screening technique for the detection of a broad range of potential adulterants in apple juice.

Beyond Fourier.

PubMed

Hoch, Jeffrey C

2017-10-01

Non-Fourier methods of spectrum analysis are gaining traction in NMR spectroscopy, driven by their utility for processing nonuniformly sampled data. These methods afford new opportunities for optimizing experiment time, resolution, and sensitivity of multidimensional NMR experiments, but they also pose significant challenges not encountered with the discrete Fourier transform. A brief history of non-Fourier methods in NMR serves to place different approaches in context. Non-Fourier methods reflect broader trends in the growing importance of computation in NMR, and offer insights for future software development. Copyright © 2017 Elsevier Inc. All rights reserved.

Modeling Microalgal Biosediment Formation Based on Attenuated Total Reflection Fourier Transform Infrared (ATR FT-IR) Monitoring.

PubMed

Ogburn, Zachary L; Vogt, Frank

2018-03-01

With increasing amounts of anthropogenic pollutants being released into ecosystems, it becomes ever more important to understand their fate and interactions with living organisms. Microalgae play an important ecological role as they are ubiquitous in marine environments and sequester inorganic pollutants which they transform into organic biomass. Of particular interest in this study is their role as a sink for atmospheric CO 2 , a greenhouse gas, and nitrate, one cause of harmful algal blooms. Novel chemometric hard-modeling methodologies have been developed for interpreting phytoplankton's chemical and physiological adaptations to changes in their growing environment. These methodologies will facilitate investigations of environmental impacts of anthropogenic pollutants on chemical and physiological properties of marine microalgae (here: Nannochloropsis oculata). It has been demonstrated that attenuated total reflection Fourier transform infrared (ATR FT-IR) spectroscopy can gain insights into both and this study only focuses on the latter. From time-series of spectra, the rate of microalgal biomass settling on top of a horizontal ATR element is derived which reflects several of phytoplankton's physiological parameters such as growth rate, cell concentrations, cell size, and buoyancy. In order to assess environmental impacts on such parameters, microalgae cultures were grown under 25 different chemical scenarios covering 200-600 ppm atmospheric CO 2 and 0.35-0.75 mM dissolved NO 3 - . After recording time-series of ATR FT-IR spectra, a multivariate curve resolution-alternating least squares (MCR-ALS) algorithm extracted spectroscopic and time profiles from each data set. From the time profiles, it was found that in the considered concentration ranges only NO 3 - has an impact on the cells' physiological properties. In particular, the cultures' growth rate has been influenced by the ambient chemical conditions. Thus, the presented spectroscopic + chemometric methodology enables investigating the link between chemical conditions in a marine ecosystem and their consequences for phytoplankton living in it.

Quantitative analysis of active compounds in pharmaceutical preparations by use of attenuated total-reflection Fourier transform mid-infrared spectrophotometry and the internal standard method.

PubMed

Sastre Toraño, J; van Hattum, S H

2001-10-01

A new method is presented for the quantitative analysis of compounds in pharmaceutical preparations Fourier transform (FT) mid-infrared (MIR) spectroscopy with an attenuated total reflection (ATR) module. Reduction of the quantity of overlapping absorption bands, by interaction of the compound of interest with an appropriate solvent, and the employment of an internal standard (IS), makes MIR suitable for quantitative analysis. Vigabatrin, as active compound in vigabatrin 100-mg capsules, was used as a model compound for the development of the method. Vigabatrin was extracted from the capsule content with water after addition of a sodium thiosulfate IS solution. The extract was concentrated by volume reduction and applied to the FTMIR-ATR module. Concentrations of unknown samples were calculated from the ratio of the vigabatrin band area (1321-1610 cm(-1)) and the IS band area (883-1215 cm(-1)) using a calibration standard. The ratio of the area of the vigabatrin peak to that of the IS was linear with the concentration in the range of interest (90-110 mg, in twofold; n=2). The accuracy of the method in this range was 99.7-100.5% (n=5) with a variability of 0.4-1.3% (n=5). The comparison of the presented method with an HPLC assay showed similar results; the analysis of five vigabatrin 100-mg capsules resulted in a mean concentration of 102 mg with a variation of 2% with both methods.

Structure and physicochemical properties of starches in lotus (Nelumbo nucifera Gaertn.) rhizome

PubMed Central

Yu, Huaguang; Cheng, Libao; Yin, Jingjing; Yan, Shunjun; Liu, Kejun; Zhang, Fengmin; Xu, Bin; Li, Liangjun

2013-01-01

The type and content of starch are believed to be the most critical factors in determining the storage and processing quality of lotus rhizome species, and the intention of this study is to survey the structure and properties of starches isolated from rhizomes of two lotus cultivars using X-ray powder diffraction, solid-state nuclear magnetic resonance spectroscopy, attenuated total reflectance-Fourier transform infrared spectroscopy, scanning electron microscope, differential scanning calorimetry, and rapid viscosity analyzer (RVA). Starch in rhizome of cultivar Meirenhong exhibited C-type X-ray diffraction pattern, while starch in rhizome of cultivar Wawalian showed A-type pattern. 13C cross-polarization magic-angle spinning nuclear magnetic resonance (13C CP-MAS NMR) also confirmed the polymorphs. The relative crystallinity of two starches was quantitatively estimated from two methods and compared. Attenuated total reflectance-Fourier transform infrared (ATR-FTIR) results indicated that the external regions of the starch granules had a great level of ordered structure. Starch granules in Meirenhong showed oval-shaped granules, while starch granules in Wawalian were elongated and oval in shape with relatively large size. Gelatinization temperatures of starch in Meirenhong and Wawalian were 330.5 and 342.4 K, respectively, and the gelatinization temperature range of Meirenhong was significantly wider than that of Wawalian. Starch in rhizome of cultivar Meirenhong showed lower pasting temperature, lower hot and cool viscosities, lower setback, and higher peak viscosity and breakdown than those of Wawalian in RVA pasting profiles at 6% starch concentration. PMID:24804031

Conformation, orientation, and adsorption kinetics of dermaseptin B2 onto synthetic supports at aqueous/solid interface.

PubMed

Noinville, S; Bruston, F; El Amri, C; Baron, D; Nicolas, P

2003-08-01

The antimicrobial activity of cationic amphipathic peptides is due mainly to the adsorption of peptides onto target membranes, which can be modulated by such physicochemical parameters as charge and hydrophobicity. We investigated the structure of dermaseptin B2 (Drs B2) at the aqueous/synthetic solid support interface and its adsorption kinetics using attenuated total reflection Fourier transform infrared spectroscopy and surface plasmon resonance. We determined the conformation and affinity of Drs B2 adsorbed onto negatively charged (silica or dextran) and hydrophobic supports. Synthetic supports of differing hydrophobicity were obtained by modifying silica or gold with omega-functionalized alkylsilanes (bromo, vinyl, phenyl, methyl) or alkylthiols. The peptide molecules adsorbed onto negatively charged supports mostly had a beta-type conformation. In contrast, a monolayer of Drs B2, mainly in the alpha-helical conformation, was adsorbed irreversibly onto the hydrophobic synthetic supports. The conformational changes during formation of the adsorbed monolayer were monitored by two-dimensional Fourier transform infrared spectroscopy correlation; they showed the influence of peptide-peptide interactions on alpha-helix folding on the most hydrophobic support. The orientation of the alpha-helical Drs B2 with respect to the hydrophobic support was determined by polarized attenuated total reflection; it was around 15 +/- 5 degrees. This orientation was confirmed and illustrated by a molecular dynamics study. These combined data demonstrate that specific chemical environments influence the structure of Drs B2, which could explain the many functions of antimicrobial peptides.

Spectral Mining for Discriminating Blood Origins in the Presence of Substrate Interference via Attenuated Total Reflection Fourier Transform Infrared Spectroscopy: Postmortem or Antemortem Blood?

PubMed

Takamura, Ayari; Watanabe, Ken; Akutsu, Tomoko; Ikegaya, Hiroshi; Ozawa, Takeaki

2017-09-19

Often in criminal investigations, discrimination of types of body fluid evidence is crucially important to ascertain how a crime was committed. Compared to current methods using biochemical techniques, vibrational spectroscopic approaches can provide versatile applicability to identify various body fluid types without sample invasion. However, their applicability is limited to pure body fluid samples because important signals from body fluids incorporated in a substrate are affected strongly by interference from substrate signals. Herein, we describe a novel approach to recover body fluid signals that are embedded in strong substrate interferences using attenuated total reflection Fourier transform infrared (ATR FT-IR) spectroscopy and an innovative multivariate spectral processing. This technique supported detection of covert features of body fluid signals, and then identified origins of body fluid stains on substrates. We discriminated between ATR FT-IR spectra of postmortem blood (PB) and those of antemortem blood (AB) by creating a multivariate statistics model. From ATR FT-IR spectra of PB and AB stains on interfering substrates (polyester, cotton, and denim), blood-originated signals were extracted by a weighted linear regression approach we developed originally using principal components of both blood and substrate spectra. The blood-originated signals were finally classified by the discriminant model, demonstrating high discriminant accuracy. The present method can identify body fluid evidence independently of the substrate type, which is expected to promote the application of vibrational spectroscopic techniques in forensic body fluid analysis.

Forensic Hair Differentiation Using Attenuated Total Reflection Fourier Transform Infrared (ATR FT-IR) Spectroscopy.

PubMed

Manheim, Jeremy; Doty, Kyle C; McLaughlin, Gregory; Lednev, Igor K

2016-07-01

Hair and fibers are common forms of trace evidence found at crime scenes. The current methodology of microscopic examination of potential hair evidence is absent of statistical measures of performance, and examiner results for identification can be subjective. Here, attenuated total reflection (ATR) Fourier transform-infrared (FT-IR) spectroscopy was used to analyze synthetic fibers and natural hairs of human, cat, and dog origin. Chemometric analysis was used to differentiate hair spectra from the three different species, and to predict unknown hairs to their proper species class, with a high degree of certainty. A species-specific partial least squares discriminant analysis (PLSDA) model was constructed to discriminate human hair from cat and dog hairs. This model was successful in distinguishing between the three classes and, more importantly, all human samples were correctly predicted as human. An external validation resulted in zero false positive and false negative assignments for the human class. From a forensic perspective, this technique would be complementary to microscopic hair examination, and in no way replace it. As such, this methodology is able to provide a statistical measure of confidence to the identification of a sample of human, cat, and dog hair, which was called for in the 2009 National Academy of Sciences report. More importantly, this approach is non-destructive, rapid, can provide reliable results, and requires no sample preparation, making it of ample importance to the field of forensic science. © The Author(s) 2016.

Comparison of Fiber Optic and Conduit Attenuated Total Reflection (ATR) Fourier Transform Infrared (FT-IR) Setup for In-Line Fermentation Monitoring.

PubMed

Koch, Cosima; Posch, Andreas E; Herwig, Christoph; Lendl, Bernhard

2016-12-01

The performance of a fiber optic and an optical conduit in-line attenuated total reflection mid-infrared (IR) probe during in situ monitoring of Penicillium chrysogenum fermentation were compared. The fiber optic probe was connected to a sealed, portable, Fourier transform infrared (FT-IR) process spectrometer via a plug-and-play interface. The optical conduit, on the other hand, was connected to a FT-IR process spectrometer via a knuckled probe with mirrors that had to be adjusted prior to each fermentation, which were purged with dry air. Penicillin V (PenV) and its precursor phenoxyacetic acid (POX) concentrations were determined by online high-performance liquid chromatography and the obtained concentrations were used as reference to build partial least squares regression models. Cross-validated root-mean-square errors of prediction were found to be 0.2 g L -1 (POX) and 0.19 g L -1 (PenV) for the fiber optic setup and 0.17 g L -1 (both POX and PenV) for the conduit setup. Higher noise-levels and spectrum-to-spectrum variations of the fiber optic setup lead to higher noise of estimated (i.e., unknown) POX and PenV concentrations than was found for the conduit setup. It seems that trade-off has to be made between ease of handling (fiber optic setup) and measurement accuracy (optical conduit setup) when choosing one of these systems for bioprocess monitoring. © The Author(s) 2016.

Source Determination of Red Gel Pen Inks using Raman Spectroscopy and Attenuated Total Reflectance Fourier Transform Infrared Spectroscopy combined with Pearson's Product Moment Correlation Coefficients and Principal Component Analysis.

PubMed

Mohamad Asri, Muhammad Naeim; Mat Desa, Wan Nur Syuhaila; Ismail, Dzulkiflee

2018-01-01

The potential combination of two nondestructive techniques, that is, Raman spectroscopy (RS) and attenuated total reflectance-fourier transform infrared (ATR-FTIR) spectroscopy with Pearson's product moment correlation (PPMC) coefficient (r) and principal component analysis (PCA) to determine the actual source of red gel pen ink used to write a simulated threatening note, was examined. Eighteen (18) red gel pens purchased from Japan and Malaysia from November to December 2014 where one of the pens was used to write a simulated threatening note were analyzed using RS and ATR-FTIR spectroscopy, respectively. The spectra of all the red gel pen inks including the ink deposited on the simulated threatening note gathered from the RS and ATR-FTIR analyses were subjected to PPMC coefficient (r) calculation and principal component analysis (PCA). The coefficients r = 0.9985 and r = 0.9912 for pairwise combination of RS and ATR-FTIR spectra respectively and similarities in terms of PC1 and PC2 scores of one of the inks to the ink deposited on the simulated threatening note substantiated the feasibility of combining RS and ATR-FTIR spectroscopy with PPMC coefficient (r) and PCA for successful source determination of red gel pen inks. The development of pigment spectral library had allowed the ink deposited on the threatening note to be identified as XSL Poppy Red (CI Pigment Red 112). © 2017 American Academy of Forensic Sciences.

An Experimental Characterization System for Deep Ultra-Violet (UV) Photoresists

NASA Astrophysics Data System (ADS)

Drako, Dean M.; Partlo, William N.; Oldham, William G.; Neureuther, Andrew R.

1989-08-01

A versatile system designed specifically for experimental automated photoresist characterization has been constructed utilizing an excimer laser source for exposure at 248nm. The system was assembled, as much as possible, from commercially available components in order to facilitate its replication. The software and hardware are completely documented in a University of California-Berkeley Engineering Research Lab Memo. An IBM PC-AT compatible computer controls an excimer laser, operates a Fourier Transform Infrared (FTIR) Spectrometer, measures and records the energy of each laser pulse (incident, reflected, and transmitted), opens and closes shutters, and operates two linear stages for sample movement. All operations (except FTIR data reduction) are managed by a control program written in the "C" language. The system is capable of measuring total exposure dose, performing bleaching measurements, creating and recording exposure pulse sequences, and generating exposure patterns suitable for multiple channel monitoring of the development. The total exposure energy, energy per pulse, and pulse rate are selectable over a wide range. The system contains an in-situ Fourier Transform Infrared Spectrometer for qualitative and quantitative analysis of the photoresist baking and exposure processes (baking is not done in-situ). FIIR may be performed in transmission or reflection. The FTIR data will form the basis of comprehensive multi-state resist models. The system's versatility facilitates the development of new automated and repeatable experiments. Simple controlling software, utilizing the provided interface sub-routines, can be written to control new experiments and collect data.

Improved methods of performing coherent optical correlation

NASA Technical Reports Server (NTRS)

Husain-Abidi, A. S.

1972-01-01

Coherent optical correlators are described in which complex spatial filters are recorded by a quasi-Fourier transform method. The high-pass spatial filtering effects (due to the dynamic range of photographic films) normally encountered in Vander Lugt type complex filters are not present in this system. Experimental results for both transmittive as well as reflective objects are presented. Experiments are also performed by illuminating the object with diffused light. A correlator using paraboloidal mirror segments as the Fourier-transforming element is also described.

Note: Modification of an FTIR spectrometer for optoelectronic characterizations.

PubMed

Puspitosari, N; Longeaud, C

2017-08-01

We propose a very simple system to be adapted to a Fourier Transform Infra-Red (FTIR) spectrometer with which three different types of characterizations can be done: the Fourier transform photocurrent spectroscopy, the recording of reflection-transmission spectra of thin film semiconductors, and the acquisition of spectral responses of solar cells. In addition to gather three techniques into a single apparatus, this FTIR-based system also significantly reduces the recording time and largely improves the resolution of the measured spectra compared to standard equipments.

Characterization of ceramic matrix composite degradation using Fourier transform infrared spectroscopy

NASA Astrophysics Data System (ADS)

Henry, Christine; Criner, Amanda Keck; Imel, Megan; King, Derek

2018-04-01

Data collected with a handheld Fourier Transform Infrared (FTIR) device is analyzed and considered as a useful method for detecting and quantifying oxidation on the surface of ceramic matrix composite (CMC) materials. Experiments examine silicon carbide (SiC) coupons, looking for changes in chemical composition before and after thermal exposure. Using mathematical, physical and statistical models for FTIR reflectance data, this research seeks to quantify any detected spectral changes as an indicator of surface oxidation on the CMC coupon.

Note: Modification of an FTIR spectrometer for optoelectronic characterizations

NASA Astrophysics Data System (ADS)

Puspitosari, N.; Longeaud, C.

2017-08-01

We propose a very simple system to be adapted to a Fourier Transform Infra-Red (FTIR) spectrometer with which three different types of characterizations can be done: the Fourier transform photocurrent spectroscopy, the recording of reflection-transmission spectra of thin film semiconductors, and the acquisition of spectral responses of solar cells. In addition to gather three techniques into a single apparatus, this FTIR-based system also significantly reduces the recording time and largely improves the resolution of the measured spectra compared to standard equipments.

Prepreg cure monitoring using diffuse reflectance-FTIR. [Fourier Transform Infrared Technique

NASA Technical Reports Server (NTRS)

Young, P. R.; Chang, A. C.

1984-01-01

An in situ diffuse reflectance-Fourier transform infrared technique was developed to determine infrared spectra of graphite fiber prepregs as they were being cured. A bismaleimide, an epoxy, and addition polyimide matrix resin prepregs were studied. An experimental polyimide adhesive was also examined. Samples were positioned on a small heater at the focal point of diffuse reflectance optics and programmed at 15 F/min while FTIR spectra were being scanned, averaged, and stored. An analysis of the resulting spectra provided basic insights into changes in matrix resin molecular structure which accompanied reactions such as imidization and crosslinking. An endo-exothermal isomerization involving reactive end-caps was confirmed for the addition polyimide prepregs. The results of this study contribute to a fundamental understanding of the processing of composites and adhesives. Such understanding will promote the development of more efficient cure cycles.

Fourier Transform Infrared Spectroscopy Part III. Applications.

ERIC Educational Resources Information Center

Perkins, W. D.

1987-01-01

Discusses the use of the FT-IR spectrometer in analyses that were previously avoided. Examines some of the applications of this spectroscopy with aqueous solutions, circular internal reflection, samples with low transmission, diffuse reflectance, infrared emission, and the infrared microscope. (TW)

Gas sensing properties and in situ diffuse reflectance infrared Fourier transform spectroscopy study of trichloroethylene adsorption and reactions on SnO2 films

NASA Astrophysics Data System (ADS)

Zhang, Zhenxin; Huang, Kaijin; Yuan, Fangli; Xie, Changsheng

2014-05-01

The detection of trichloroethylene has attracted much attention because it has an important effect on human health. The sensitivity of the SnO2 flat-type coplanar gas sensor arrays to 100 ppm trichloroethylene in air was investigated. The adsorption and surface reactions of trichloroethylene were investigated at 100-200 °C by in-situ diffuse reflection Fourier transform infrared spectroscopy (DIRFTS) on SnO2 films. Molecularly adsorbed trichloroethylene, dichloroacetyl chloride (DCAC), phosgene, HCl, CO, H2O, CHCl3, Cl2 and CO2 surface species are formed during trichloroethylene adsorption at 100-200 °C. A possible mechanism of the reaction process is discussed.

Analysis of reflection-peak wavelengths of sampled fiber Bragg gratings with large chirp.

PubMed

Zou, Xihua; Pan, Wei; Luo, Bin

2008-09-10

The reflection-peak wavelengths (RPWs) in the spectra of sampled fiber Bragg gratings with large chirp (SFBGs-LC) are theoretically investigated. Such RPWs are divided into two parts, the RPWs of equivalent uniform SFBGs (U-SFBGs) and the wavelength shift caused by the large chirp in the grating period (CGP). We propose a quasi-equivalent transform to deal with the CGP. That is, the CGP is transferred into quasi-equivalent phase shifts to directly derive the Fourier transform of the refractive index modulation. Then, in the case of both the direct and the inverse Talbot effect, the wavelength shift is obtained from the Fourier transform. Finally, the RPWs of SFBGs-LC can be achieved by combining the wavelength shift and the RPWs of equivalent U-SFBGs. Several simulations are shown to numerically confirm these predicted RPWs of SFBGs-LC.

Characterization of atmospheric pressure plasma treated wool/cashmere textiles: Treatment in nitrogen

NASA Astrophysics Data System (ADS)

Zanini, Stefano; Citterio, Attilio; Leonardi, Gabriella; Riccardi, Claudia

2018-01-01

We performed atmospheric pressure plasma treatments of wool/cashmere (15/85%) textiles with a dielectric barrier discharge (DBD) in nitrogen. The chemical properties of the plasma treated samples were investigated with attenuated total reflectance Fourier transform infrared (FTIR/ATR) spectroscopy, X-ray photoelectron microscopy (XPS), and fatty acid gas chromatographic analysis. Changes in mechanical properties and tactile performance of textiles after the plasma treatment were determined using the KES-F system. The analyses reveal significant surface modification of the treated fabrics, which enhances their surface wettability.

A novel collinear optical system with annulus mirrors for holographic disc driver

NASA Astrophysics Data System (ADS)

Wang, Ye

2008-12-01

This paper focus on a novel collinear lens system with annulus mirrors for holographic disc driver, both information beam and reference beam are use same laser beam. The expanded and parallel laser beam, center part of it as the information beam then through Fourier transform lens, the beam around center part as a reference beam. On this axis, the ring reference beam reflected by two annulus shaped mirrors, then became a convergent beam, together with the information beam which through the first Fourier transform lens then produce holographic pattern to be write into the holographic disc behind of them, this lens system with two mirrors made the angle between information beam and reference beam more wide, can improved the multiplex level of holographic storage. Pair of Fourier transform lens with advance performance is designed in this paper.

Rainbow Fourier Transform

NASA Technical Reports Server (NTRS)

Alexandrov, Mikhail D.; Cairns, Brian; Mishchenko, Michael I.

2012-01-01

We present a novel technique for remote sensing of cloud droplet size distributions. Polarized reflectances in the scattering angle range between 135deg and 165deg exhibit a sharply defined rainbow structure, the shape of which is determined mostly by single scattering properties of cloud particles, and therefore, can be modeled using the Mie theory. Fitting the observed rainbow with such a model (computed for a parameterized family of particle size distributions) has been used for cloud droplet size retrievals. We discovered that the relationship between the rainbow structures and the corresponding particle size distributions is deeper than it had been commonly understood. In fact, the Mie theory-derived polarized reflectance as a function of reduced scattering angle (in the rainbow angular range) and the (monodisperse) particle radius appears to be a proxy to a kernel of an integral transform (similar to the sine Fourier transform on the positive semi-axis). This approach, called the rainbow Fourier transform (RFT), allows us to accurately retrieve the shape of the droplet size distribution by the application of the corresponding inverse transform to the observed polarized rainbow. While the basis functions of the proxy-transform are not exactly orthogonal in the finite angular range, this procedure needs to be complemented by a simple regression technique, which removes the retrieval artifacts. This non-parametric approach does not require any a priori knowledge of the droplet size distribution functional shape and is computationally fast (no look-up tables, no fitting, computations are the same as for the forward modeling).

APPLICATION OF STANDARDIZED QUALITY CONTROL PROCEDURES TO OPEN-PATH FOURIER TRANSFORM INFRARED DATA COLLECTED AT A CONCENTRATED SWINE PRODUCTION FACILITY

EPA Science Inventory

Open-path Fourier transform infrared (OP/FT-IR) spectrometry was used to measure the concentrations of ammonia, methane, and other atmospheric eases at a concentrated swine production facility. A total of 2200 OP/FT-IR spectra were acquired along nine different monitoring paths d...

Qualitative and semiquantitative Fourier transformation using a noncoherent system.

PubMed

Rogers, G L

1979-09-15

A number of authors have pointed out that a system of zone plates combined with a diffuse source, transparent input, lens, and focusing screen will display on the output screen the Fourier transform of the input. Strictly speaking, the transform normally displayed is the cosine transform, and the bipolar output is superimposed on a dc gray level to give a positive-only intensity variation. By phase-shifting one zone plate the sine transform is obtained. Temporal modulation is possible. It is also possible to redesign the system to accept a diffusely reflecting input at the cost of introducing a phase gradient in the output. Results are given of the sine and cosine transforms of a small circular aperture. As expected, the sine transform is a uniform gray. Both transforms show unwanted artifacts beyond 0.1 rad off-axis. An analysis shows this is due to unwanted circularly symmetrical moire patterns between the zone plates.

Light diffusion in N-layered turbid media: steady-state domain.

PubMed

Liemert, André; Kienle, Alwin

2010-01-01

We deal with light diffusion in N-layered turbid media. The steady-state diffusion equation is solved for N-layered turbid media having a finite or an infinitely thick N'th layer. Different refractive indices are considered in the layers. The Fourier transform formalism is applied to derive analytical solutions of the fluence rate in Fourier space. The inverse Fourier transform is calculated using four different methods to test their performance and accuracy. Further, to avoid numerical errors, approximate formulas in Fourier space are derived. Fast solutions for calculation of the spatially resolved reflectance and transmittance from the N-layered turbid media ( approximately 10 ms) with small relative differences (<10(-7)) are found. Additionally, the solutions of the diffusion equation are compared to Monte Carlo simulations for turbid media having up to 20 layers.

Application of reflectance spectroscopies (FTIR-ATR & FT-NIR) coupled with multivariate methods for robust in vivo detection of begomovirus infection in papaya leaves

NASA Astrophysics Data System (ADS)

Haq, Quazi M. I.; Mabood, Fazal; Naureen, Zakira; Al-Harrasi, Ahmed; Gilani, Sayed A.; Hussain, Javid; Jabeen, Farah; Khan, Ajmal; Al-Sabari, Ruqaya S. M.; Al-khanbashi, Fatema H. S.; Al-Fahdi, Amira A. M.; Al-Zaabi, Ahoud K. A.; Al-Shuraiqi, Fatma A. M.; Al-Bahaisi, Iman M.

2018-06-01

Nucleic acid & serology based methods have revolutionized plant disease detection, however, they are not very reliable at asymptomatic stage, especially in case of pathogen with systemic infection, in addition, they need at least 1-2 days for sample harvesting, processing, and analysis. In this study, two reflectance spectroscopies i.e. Near Infrared reflectance spectroscopy (NIR) and Fourier-Transform-Infrared spectroscopy with Attenuated Total Reflection (FT-IR, ATR) coupled with multivariate exploratory methods like Principle Component Analysis (PCA) and Partial least square discriminant analysis (PLS-DA) have been deployed to detect begomovirus infection in papaya leaves. The application of those techniques demonstrates that they are very useful for robust in vivo detection of plant begomovirus infection. These methods are simple, sensitive, reproducible, precise, and do not require any lengthy samples preparation procedures.

Attenuated total reflection fourier transform infrared spectroscopy towards disclosing mechanism of bacterial adhesion on thermally stabilized titanium nano-interfaces.

PubMed

Gopal, Judy; Chun, Sechul; Doble, Mukesh

2016-08-01

Titanium is widely used as medical implant material and as condenser material in the nuclear industry where its integrity is questioned due to its susceptibility to bacterial adhesion. A systematic investigation on the influence of thermally (50-800 °C) stabilized titanium (TS-Ti) nano oxide towards bacterial adhesion was carried out. The results showed that below 350 °C significant bacterio-phobicity was observed, while above 500 °C significant affinity towards bacterial cells was recorded. Conventional characterization tools such as HR-TEM and XRD did not provide much insight on the changes occurring on the oxide film with heat treatment, however, attenuated total reflection fourier transform infrared spectroscopy (ATR-FTIR) of the surface showed significant changes in the spectral pattern as a function of increasing heat treatment. It was observed that elevated OH, N-H and C=O groups and rutile titania on the TS-Ti oxide films led to higher affinity for bacterial adhesion. On the other hand low temperature TS-Ti nanooxide films (<350 °C) showed high C-H groups and decreased OH groups on their surface, which possibly contributed towards their bacterio-phobicity. The TS-Ti nanooxide film grown at 50 °C was observed to be the most efficient anti-bacterial adhesion interface, while the 800 °C interface was the one showing highest affinity towards bacterial adhesion. This study confirms the successful application of ATR-FTIR technique for nano-oxide film characterization and towards understanding the variations in bacterial interaction of such nano interfaces.

Microscale Solubility Measurements of Matrix-Assisted Laser Desorption-Ionization (MALDI) Matrices Using Attenuated Total Reflection (ATR) Fourier Transform Infrared Spectroscopy (FT-IR) Coupled with Partial Least Squares (PLS) Analysis.

PubMed

Gorre, Elsa; Owens, Kevin G

2016-11-01

In this work an attenuated total reflection Fourier transform infrared (FT-IR) absorption based method is used to measure the solubility of two matrix-assisted laser desorption-ionization (MALDI) matrices in a few pure solvents and mixtures of acetonitrile and water using low microliter amounts of solution. Results from a method that averages the values obtained from multiple calibration curves created by manual peak picking are compared to those predicted using a partial least squares (PLS) chemometrics approach. The PLS method provided solubility values that were in good agreement with the manual method with significantly greater ease of analysis. As a test, the solubility of adipic acid in acetone was measured using the two methods of analysis, and the values are in good agreement with solubility values reported in literature. The solubilities of the MALDI matrices α-cyano-4-hydroxy cinnamic acid (CHCA) and sinapinic acid (SA) were measured in a series of mixtures made from acetonitrile (ACN) and water; surprisingly, the results show a highly nonlinear trend. While both CHCA and SA show solubility values of less than 10 mg/mL in the pure solvents, the solubility value for SA increases to 56.3 mg/mL in a 75:25 v/v ACN:water mixture. This can have a significant effect on the matrix-to-analyte ratios in the MALDI experiment when sample protocols call for preparation of a saturated solution of the matrix in the chosen solvent system. © The Author(s) 2016.

Pectin functionalised by fatty acids: Diffuse reflectance infrared Fourier transform (DRIFT) spectroscopic characterisation

NASA Astrophysics Data System (ADS)

Kamnev, Alexander A.; Calce, Enrica; Tarantilis, Petros A.; Tugarova, Anna V.; De Luca, Stefania

2015-01-01

Chemically modified pectin derivatives obtained by partial esterification of its hydroxyl moieties with fatty acids (FA; oleic, linoleic and palmitic acids), as well as the initial apple peel pectin were comparatively characterised using diffuse reflectance infrared Fourier transform (DRIFT) spectroscopy. Characteristic changes observed in DRIFT spectra in going from pectin to its FA esters are related to the corresponding chemical modifications. Comparing the DRIFT spectra with some reported data on FTIR spectra of the same materials measured in KBr or NaCl matrices has revealed noticeable shifts of several polar functional groups both in pectin and in its FA-esterified products induced by the halide salts. The results obtained have implications for careful structural analyses of biopolymers with hydrophilic functional groups by means of different FTIR spectroscopic methodologies.

Diffuse Reflectance Infrared Fourier Transform Spectroscopy for the Determination of Asbestos Species in Bulk Building Materials

PubMed Central

Accardo, Grazia; Cioffi, Raffaeke; Colangelo, Francesco; d’Angelo, Raffaele; De Stefano, Luca; Paglietti, Fderica

2014-01-01

Diffuse reflectance infrared Fourier transform (DRIFT) spectroscopy is a well-known technique for thin film characterization. Since all asbestos species exhibit intense adsorptions peaks in the 4000–400 cm−1 region of the infrared spectrum, a quantitative analysis of asbestos in bulk samples by DRIFT is possible. In this work, different quantitative analytical procedures have been used to quantify chrysotile content in bulk materials produced by building requalification: partial least squares (PLS) chemometrics, the Linear Calibration Curve Method (LCM) and the Method of Additions (MoA). Each method has its own pros and cons, but all give affordable results for material characterization: the amount of asbestos (around 10%, weight by weight) can be determined with precision and accuracy (errors less than 0.1). PMID:28788467

Detection and quantification of anionic detergent (lissapol) in milk using attenuated total reflectance-Fourier Transform Infrared spectroscopy.

PubMed

Jaiswal, Pranita; Jha, Shyam Narayan; Kaur, Jaspreet; Borah, Anjan

2017-04-15

Adulteration of milk to gain economic benefit is rampant. Addition of detergent in milk can cause food poisoning and other complications. Fourier Transform Infrared spectroscopy was evaluated as rapid method for detection and quantification of anionic detergent (lissapol) in milk. Spectra of pure and artificially adulterated milk (0.2-2.0% detergent) samples revealed clear differences in wavenumber range of 4000-500cm -1 . The apparent variations observed in region of 1600-995 and 3040-2851cm -1 corresponds to absorption frequencies of common constituents of detergent (linear alkyl benzene sulphonate). Principal component analysis showed discrete clustering of samples based on level of detergent (p⩽0.05) in milk. The classification efficiency for test samples were recorded to be >93% using Soft Independent Modelling of Class Analogy approach. Maximum coefficient of determination for prediction of detergent was 0.94 for calibration and 0.93 for validation, using partial least square regression in wavenumber combination of 1086-1056, 1343-1333, 1507-1456, 3040-2851cm -1 . Copyright © 2016 Elsevier Ltd. All rights reserved.

Fourier-transform infrared spectroscopy for rapid screening and live-cell monitoring: application to nanotoxicology

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

Sundaram, S. K.; Sacksteder, Colette A.; Weber, T. J.

2013-01-01

A significant challenge to realize the full potential of nanotechnology for therapeutic and diagnostic applications is to understand and evaluate how live-cells interact with an external stimulus, e.g., a nanosized particle (NSP), and the toxicity and broad risk associated with these stimuli. NSPs are increasingly used in medicine with largely undetermined hazards in complex cell dynamics and environments. It is difficult to capture the complexity and dynamics of these interactions by following an omics-based approach exclusively, which are expensive and time-consuming. Additionally, this approach needs destructive sampling methods. Live-cell attenuated total reflectance-Fourier transform infrared (ATR-FTIR) spectrometry is well suited tomore » provide noninvasive approach to provide rapid screening of cellular responses to potentially toxic NSPs or any stimuli. Herein we review the technical basis of the approach, the instrument configuration and interface with the biological media, and various effects that impact the data, data analysis, and toxicity. Our preliminary results on live-cell monitoring show promise for rapid screening the NSPs.« less

On-line database of voltammetric data of immobilized particles for identifying pigments and minerals in archaeometry, conservation and restoration (ELCHER database).

PubMed

Doménech-Carbó, Antonio; Doménech-Carbó, María Teresa; Valle-Algarra, Francisco Manuel; Gimeno-Adelantado, José Vicente; Osete-Cortina, Laura; Bosch-Reig, Francisco

2016-07-13

A web-based database of voltammograms is presented for characterizing artists' pigments and corrosion products of ceramic, stone and metal objects by means of the voltammetry of immobilized particles methodology. Description of the website and the database is provided. Voltammograms are, in most cases, accompanied by scanning electron microphotographs, X-ray spectra, infrared spectra acquired in attenuated total reflectance Fourier transform infrared spectroscopy mode (ATR-FTIR) and diffuse reflectance spectra in the UV-Vis-region. For illustrating the usefulness of the database two case studies involving identification of pigments and a case study describing deterioration of an archaeological metallic object are presented. Copyright © 2016 Elsevier B.V. All rights reserved.

Chemometric analysis of attenuated total reflectance infrared spectra of Proteus mirabilis strains with defined structures of LPS.

PubMed

Zarnowiec, Paulina; Mizera, Andrzej; Chrapek, Magdalena; Urbaniak, Mariusz; Kaca, Wieslaw

2016-07-01

Proteus spp. strains are some of the most important pathogens associated with complicated urinary tract infections and bacteremia affecting patients with immunodeficiency and long-term urinary catheterization. For epidemiological purposes, various molecular typing methods have been developed for this pathogen. However, these methods are labor intensive and time consuming. We evaluated a new method of differentiation between strains. A collection of Proteus spp. strains was analyzed by attenuated total reflectance Fourier transform infrared (ATR FT-IR) spectroscopy in the mid-infrared region. ATR FT-IR spectroscopy used in conjunction with a diamond ATR accessory directly produced the biochemical profile of the surface chemistry of bacteria. We conclude that a combination of ATR FT-IR spectroscopy and mathematical modeling provides a fast and reliable alternative for discrimination between Proteus isolates, contributing to epidemiological research. © The Author(s) 2016.

One-shot profile inspection for surfaces with depth, color and reflectivity discontinuities.

PubMed

Su, Wei-Hung; Chen, Sih-Yue

2017-05-01

A one-shot technique for surfaces with depth, color, and reflectivity discontinuities is presented. It uses windowed Fourier transform to extract the fringe phases and a binary-encoded scheme to unwrap the phases. Experiments show that absolute phases could be obtained with high reliability.

EPDM Rubber Modified by Nitrogen Plasma Immersion Ion Implantation.

PubMed

Kondyurin, Alexey

2018-04-24

Ethylene-propylene diene monomer rubber (EPDM) was treated by plasma immersion ion implantation (PIII) with nitrogen ions of 20 keV energy and fluence from 10 13 to 10 16 ions/cm². The Fourier-transform infrared attenuated total reflection spectra, atomic force microscopy and optical microscopy showed significant structure changes of the surface. The analysis of an interface of PIII treated EPDM rubber with polyurethane binder showed a cohesive character of the adhesion joint fracture at the presence of solvent and interpreted as covalent bond network formation between the PIII treated rubber and the adhesive.

EPDM Rubber Modified by Nitrogen Plasma Immersion Ion Implantation

PubMed Central

2018-01-01

Ethylene-propylene diene monomer rubber (EPDM) was treated by plasma immersion ion implantation (PIII) with nitrogen ions of 20 keV energy and fluence from 1013 to 1016 ions/cm2. The Fourier-transform infrared attenuated total reflection spectra, atomic force microscopy and optical microscopy showed significant structure changes of the surface. The analysis of an interface of PIII treated EPDM rubber with polyurethane binder showed a cohesive character of the adhesion joint fracture at the presence of solvent and interpreted as covalent bond network formation between the PIII treated rubber and the adhesive. PMID:29695109

Chemical modifications of liquid natural rubber

NASA Astrophysics Data System (ADS)

Azhar, Nur Hanis Adila; Rasid, Hamizah Md; Yusoff, Siti Fairus M.

2016-11-01

Liquid natural rubber (LNR) was synthesized via photosentisized degradation of natural rubber (NR). LNR was modified into epoxidized liquid natural rubber (LENR) and hydroxylated liquid natural rubber (LNR-OH) using Na2WO4/CH3COOH/H2O2 catalytic system. Chemical structures of LNR and modified LNRs were characterized using Attenuated Total Reflectance Fourier Transform Infrared (ATR-FTIR) and 1H Nuclear Magnetic Resonance (NMR) spectroscopies. Integration of 1H NMR was used to calculate the epoxy content (%) of LENR. 1H NMR detected the formation of LNR-OH after prolonged heating and increased of catalyst in oxidation reaction.

Biomimetic graphene sensors: functionalizing graphene with peptides

NASA Astrophysics Data System (ADS)

Ishigami, Masa; Nyon Kim, Sang; Naik, Rajesh; Tatulian, Suren A.; Katoch, Jyoti

2012-02-01

Non-covalent biomimetic functionalization of graphene using peptides is one of more promising methods for producing novel sensors with high sensitivity and selectivity. Here we combine atomic force microscopy, Raman spectroscopy, and attenuated total reflection Fourier transform infrared spectroscopy to investigate peptide binding to graphene and graphite. We choose to study a dodecamer peptide identified with phage display to possess affinities for graphite and we find that the peptide forms a complex mesh-like structure upon adsorption on graphene. Moreover, optical spectroscopy reveals that the peptide binds non-covalently to graphene and possesses an optical signature of an ?-helical conformation on graphene.

The effect of ultrasonic irradiation on the crystallinity of nano-hydroxyapatite produced via the wet chemical method.

PubMed

Barbosa, Michelle C; Messmer, Nigel R; Brazil, Tayra R; Marciano, Fernanda R; Lobo, Anderson O

2013-07-01

Nanohydroxyapatite (nHAp) powders were produced via aqueous precipitation by adopting four different experimental conditions, assisted or non-assisted by ultrasound irradiation (UI). The nHAp powders were characterized by X-ray diffraction, energy-dispersive X-ray fluorescence, Raman and attenuated total reflection Fourier transform infrared spectroscopies, which showed typical surface chemical compositions of nHAp. Analysis found strong connections between UI and the crystallization process, crystal growth properties, as well as correlations between calcination and substitution reactions. Copyright © 2013 Elsevier B.V. All rights reserved.

Real-time processing for full-range Fourier-domain optical-coherence tomography with zero-filling interpolation using multiple graphic processing units.

PubMed

Watanabe, Yuuki; Maeno, Seiya; Aoshima, Kenji; Hasegawa, Haruyuki; Koseki, Hitoshi

2010-09-01

The real-time display of full-range, 2048?axial pixelx1024?lateral pixel, Fourier-domain optical-coherence tomography (FD-OCT) images is demonstrated. The required speed was achieved by using dual graphic processing units (GPUs) with many stream processors to realize highly parallel processing. We used a zero-filling technique, including a forward Fourier transform, a zero padding to increase the axial data-array size to 8192, an inverse-Fourier transform back to the spectral domain, a linear interpolation from wavelength to wavenumber, a lateral Hilbert transform to obtain the complex spectrum, a Fourier transform to obtain the axial profiles, and a log scaling. The data-transfer time of the frame grabber was 15.73?ms, and the processing time, which includes the data transfer between the GPU memory and the host computer, was 14.75?ms, for a total time shorter than the 36.70?ms frame-interval time using a line-scan CCD camera operated at 27.9?kHz. That is, our OCT system achieved a processed-image display rate of 27.23 frames/s.

Dielectric Properties and Electrodynamic Process of Natural Ester-Based Insulating Nanofluid

NASA Astrophysics Data System (ADS)

Zou, Ping; Li, Jian; Sun, Cai-Xin; Zhang, Zhao-Tao; Liao, Rui-Jin

Natural ester is currently used as an insulating oil and coolant for medium-power transformers. The biodegradability of insulating natural ester makes it a preferable insulation liquid to mineral oils. In this work, Fe3O4 nanoparticles were used along with oleic acid to improve the performance of insulating natural ester. The micro-morphology of Fe3O4 nanoparticles before and after surface modification was observed through transmission electron microscopy. Attenuated total reflection-Fourier transform infrared spectroscopy, thermal gravimetric analysis, and differential thermal analysis were employed to investigate functional groups and their thermal stability on the surface-modified Fe3O4 nanoparticles. Basic dielectric properties of natural ester-based insulating nanofluid were measured. The electrodynamic process in the natural ester-based insulating nanofluid is also presented.

Preliminary investigations into macroscopic attenuated total reflection-fourier transform infrared imaging of intact spherical domains: spatial resolution and image distortion.

PubMed

Everall, Neil J; Priestnall, Ian M; Clarke, Fiona; Jayes, Linda; Poulter, Graham; Coombs, David; George, Michael W

2009-03-01

This paper describes preliminary investigations into the spatial resolution of macro attenuated total reflection (ATR) Fourier transform infrared (FT-IR) imaging and the distortions that arise when imaging intact, convex domains, using spheres as an extreme example. The competing effects of shallow evanescent wave penetration and blurring due to finite spatial resolution meant that spheres within the range 20-140 microm all appeared to be approximately the same size ( approximately 30-35 microm) when imaged with a numerical aperture (NA) of approximately 0.2. A very simple model was developed that predicted this extreme insensitivity to particle size. On the basis of these studies, it is anticipated that ATR imaging at this NA will be insensitive to the size of intact highly convex objects. A higher numerical aperture device should give a better estimate of the size of small spheres, owing to superior spatial resolution, but large spheres should still appear undersized due to the shallow sampling depth. An estimate of the point spread function (PSF) was required in order to develop and apply the model. The PSF was measured by imaging a sharp interface; assuming an Airy profile, the PSF width (distance from central maximum to first minimum) was estimated to be approximately 20 and 30 microm for IR bands at 1600 and 1000 cm(-1), respectively. This work has two significant limitations. First, underestimation of domain size only arises when imaging intact convex objects; if surfaces are prepared that randomly and representatively section through domains, the images can be analyzed to calculate parameters such as domain size, area, and volume. Second, the model ignores reflection and refraction and assumes weak absorption; hence, the predicted intensity profiles are not expected to be accurate; they merely give a rough estimate of the apparent sphere size. Much further work is required to place the field of quantitative ATR-FT-IR imaging on a sound basis.

Detection of creatinine enriched on a surface imprinted polystyrene film using FT-ATR-IR.

PubMed

Sreenivasan, K

2006-01-01

The surface of polystyrene (PS) was chemically modified by coating a thin layer of polyaniline (PANI) by oxidizing aniline using ammonium persulfate. Affinity sites for creatinine, a clinically relevant molecule, were created in the coated layer by adding creatinine as print molecules during the oxidation. The imprinted layer adsorbed creatinine was compared to non-imprinted surface reflecting the creation of creatinine-specific sites on the surface. The equilibrium was attained rapidly, indicating that a material of this kind is suitable for sensing applications. The adsorbed creatinine on the surface was detected using the technique of Fourier transform attenuated total internal reflection infra red spectroscopy (FT-ATR-IR). The results show that molecularly imprinted surface can enrich molecules of interest and the enriched molecules can be detected using FT-IR.

Single-particle characterization of summertime Antarctic aerosols collected at King George Island using quantitative energy-dispersive electron probe X-ray microanalysis and attenuated total reflection Fourier transform-infrared imaging techniques.

PubMed

Maskey, Shila; Geng, Hong; Song, Young-Chul; Hwang, Heejin; Yoon, Young-Jun; Ahn, Kang-Ho; Ro, Chul-Un

2011-08-01

Single-particle characterization of Antarctic aerosols was performed to investigate the impact of marine biogenic sulfur species on the chemical compositions of sea-salt aerosols in the polar atmosphere. Quantitative energy-dispersive electron probe X-ray microanalysis was used to characterize 2900 individual particles in 10 sets of aerosol samples collected between March 12 and 16, 2009 at King Sejong Station, a Korean scientific research station located at King George Island in the Antarctic. Two size modes of particles, i.e., PM(2.5-10) and PM(1.0-2.5), were analyzed, and four types of particles were identified, with sulfur-containing sea-salt particles being the most abundant, followed by genuine sea-salt particles without sulfur species, iron-containing particles, and other species including CaCO(3)/CaMg(CO(3))(2), organic carbon, and aluminosilicates. When a sulfur-containing sea-salt particle showed an atomic concentration ratio of sulfur to sodium of >0.083 (seawater ratio), it is regarded as containing nonsea-salt sulfate (nss-SO(4)(2-)) and/or methanesulfonate (CH(3)SO(3)(-)), which was supported by attenuated total reflection Fourier transform-infrared imaging measurements. These internal mixture particles of sea-salt/CH(3)SO(3)(-)/SO(4)(2-) were very frequently encountered. As nitrate-containing particles were not encountered, and the air-masses for all of the samples originated from the Pacific Ocean (based on 5-day backward trajectories), the oxidation of dimethylsulfide (DMS) emitted from phytoplanktons in the ocean is most likely to be responsible for the formation of the mixed sea-salt/CH(3)SO(3)(-)/SO(4)(2-) particles.

A simple, sensitive and non-destructive technique for characterizing bovine dental enamel erosion: attenuated total reflection Fourier transform infrared spectroscopy

PubMed Central

Kim, In-Hye; Son, Jun Sik; Min, Bong Ki; Kim, Young Kyoung; Kim, Kyo-Han; Kwon, Tae-Yub

2016-01-01

Although many techniques are available to assess enamel erosion in vitro, a simple, non-destructive method with sufficient sensitivity for quantifying dental erosion is required. This study characterized the bovine dental enamel erosion induced by various acidic beverages in vitro using attenuated total reflection Fourier transform infrared (ATR-FTIR) spectroscopy. Deionized water (control) and 10 acidic beverages were selected to study erosion, and the pH and neutralizable acidity were measured. Bovine anterior teeth (110) were polished with up to 1 200-grit silicon carbide paper to produce flat enamel surfaces, which were then immersed in 20 mL of the beverages for 30 min at 37 °C. The degree of erosion was evaluated using ATR-FTIR spectroscopy and Vickers' microhardness measurements. The spectra obtained were interpreted in two ways that focused on the ν1, ν3 phosphate contour: the ratio of the height amplitude of ν3 PO4 to that of ν1 PO4 (Method 1) and the shift of the ν3 PO4 peak to a higher wavenumber (Method 2). The percentage changes in microhardness after the erosion treatments were primarily affected by the pH of the immersion media. Regression analyses revealed highly significant correlations between the surface hardness change and the degree of erosion, as detected by ATR-FTIR spectroscopy (P<0.001). Method 1 was the most sensitive to these changes, followed by surface hardness change measurements and Method 2. This study suggests that ATR-FTIR spectroscopy is potentially advantageous over the microhardness test as a simple, non-destructive, sensitive technique for the quantification of enamel erosion. PMID:27025266

A simple, sensitive and non-destructive technique for characterizing bovine dental enamel erosion: attenuated total reflection Fourier transform infrared spectroscopy.

PubMed

Kim, In-Hye; Son, Jun Sik; Min, Bong Ki; Kim, Young Kyoung; Kim, Kyo-Han; Kwon, Tae-Yub

2016-03-30

Although many techniques are available to assess enamel erosion in vitro, a simple, non-destructive method with sufficient sensitivity for quantifying dental erosion is required. This study characterized the bovine dental enamel erosion induced by various acidic beverages in vitro using attenuated total reflection Fourier transform infrared (ATR-FTIR) spectroscopy. Deionized water (control) and 10 acidic beverages were selected to study erosion, and the pH and neutralizable acidity were measured. Bovine anterior teeth (110) were polished with up to 1 200-grit silicon carbide paper to produce flat enamel surfaces, which were then immersed in 20 mL of the beverages for 30 min at 37 °C. The degree of erosion was evaluated using ATR-FTIR spectroscopy and Vickers' microhardness measurements. The spectra obtained were interpreted in two ways that focused on the ν1, ν3 phosphate contour: the ratio of the height amplitude of ν3 PO4 to that of ν1 PO4 (Method 1) and the shift of the ν3 PO4 peak to a higher wavenumber (Method 2). The percentage changes in microhardness after the erosion treatments were primarily affected by the pH of the immersion media. Regression analyses revealed highly significant correlations between the surface hardness change and the degree of erosion, as detected by ATR-FTIR spectroscopy (P<0.001). Method 1 was the most sensitive to these changes, followed by surface hardness change measurements and Method 2. This study suggests that ATR-FTIR spectroscopy is potentially advantageous over the microhardness test as a simple, non-destructive, sensitive technique for the quantification of enamel erosion.

Chemical Functionalization of Germanium with Dextran Brushes for Immobilization of Proteins Revealed by Attenuated Total Reflection Fourier Transform Infrared Difference Spectroscopy.

PubMed

Schartner, Jonas; Hoeck, Nina; Güldenhaupt, Jörn; Mavarani, Laven; Nabers, Andreas; Gerwert, Klaus; Kötting, Carsten

2015-07-21

Protein immobilization studied by attenuated total reflection Fourier transform infrared (ATR-FT-IR) difference spectroscopy is an emerging field enabling the study of proteins at atomic detail. Gold or glass surfaces are frequently used for protein immobilization. Here, we present an alternative method for protein immobilization on germanium. Because of its high refractive index and broad spectral window germanium is the best material for ATR-FT-IR spectroscopy of thin layers. So far, this technique was mainly used for protein monolayers, which lead to a limited signal-to-noise ratio. Further, undesired protein-protein interactions can occur in a dense layer. Here, the germanium surface was functionalized with thiols and stepwise a dextran brush was generated. Each step was monitored by ATR-FT-IR spectroscopy. We compared a 70 kDa dextran with a 500 kDa dextran regarding the binding properties. All surfaces were characterized by atomic force microscopy, revealing thicknesses between 40 and 110 nm. To analyze the capability of our system we utilized N-Ras on mono-NTA (nitrilotriacetic acid) functionalized dextran, and the amount of immobilized Ras corresponded to several monolayers. The protein stability and loading capacity was further improved by means of tris-NTA for immobilization. Small-molecule-induced changes were revealed with an over 3 times higher signal-to-noise ratio compared to monolayers. This improvement may allow the observation of very small and so far hidden changes in proteins upon stimulus. Furthermore, we immobilized green fluorescent protein (GFP) and mCherry simultaneously enabling an analysis of the surface by fluorescence microscopy. The absence of a Förster resonance energy transfer (FRET) signal demonstrated a large protein-protein distance, indicating an even distribution of the protein within the dextran.

Monitoring 2-ethylhexyl-4-methoxycinnamate photoisomerization on skin using attenuated total reflection fourier transform infrared spectroscopy.

PubMed

Pangnakorn, P; Nonthabenjawan, R; Ekgasit, S; Thammacharoen, C; Pattanaargson Wanichwecharungruang, S

2007-02-01

Photoisomerization and photodimerization of a widely used UVB filter, 2-ethylhexy-4-methoxycinnamate (EHMC) on a ZnSe surface and baby mouse (Mus musculus Linn.) skin were monitored using attenuated total reflection Fourier transform infrared spectroscopy (ATR-FT-IR). Differentiation between the E- and the Z-EHMC could be achieved by examining the infrared (IR) peak at 981 cm(-1) (b peak), which corresponds to the CH rocking deformation vibration of Ph-CH=CH- detected only in the E configuration. By plotting the ratios of the peak area of the b peak and an internal standard peak (1060-998 cm(-1)) against mole percentage of Z-isomer in the E-Z mixtures, a linear calibration plot was obtained. Thus, a simple estimation of the mole percentage of each configuration in a sample was obtained. At the same UVB exposure, photostationary equilibrium of the E/Z isomerization on the surface varied with the applied amounts of EHMC. Photoisomerizations on ZnSe and on baby mouse skin were comparable. Less than 10% of E-EHMC changed configuration when the mouse skins applied with 1.0-4.0 mg/cm(2) E-EHMC were exposed to sunlight for 60 min (UVB radiant exposure of approximately 0.30 J/cm(2)). This corresponded to less than 5% loss in UV filtering efficiency. However, at a typical EHMC skin coverage ( approximately 0.2 mg/cm(2)), 0.30 J/cm(2) UVB exposure induced approximately 50% photoisomerization resulting in 25% loss of UV filtering efficiency. No photodimerization was detected even at the extreme EHMC coverage of 4.0 mg/cm(2) after a UVB exposure of 0.90 J/cm(2).

Attenuated total reflection-Fourier transform infrared imaging of large areas using inverted prism crystals and combining imaging and mapping.

PubMed

Chan, K L Andrew; Kazarian, Sergei G

2008-10-01

Attenuated total reflection-Fourier transform infrared (ATR-FT-IR) imaging is a very useful tool for capturing chemical images of various materials due to the simple sample preparation and the ability to measure wet samples or samples in an aqueous environment. However, the size of the array detector used for image acquisition is often limited and there is usually a trade off between spatial resolution and the field of view (FOV). The combination of mapping and imaging can be used to acquire images with a larger FOV without sacrificing spatial resolution. Previous attempts have demonstrated this using an infrared microscope and a Germanium hemispherical ATR crystal to achieve images of up to 2.5 mm x 2.5 mm but with varying spatial resolution and depth of penetration across the imaged area. In this paper, we demonstrate a combination of mapping and imaging with a different approach using an external optics housing for large ATR accessories and inverted ATR prisms to achieve ATR-FT-IR images with a large FOV and reasonable spatial resolution. The results have shown that a FOV of 10 mm x 14 mm can be obtained with a spatial resolution of approximately 40-60 microm when using an accessory that gives no magnification. A FOV of 1.3 mm x 1.3 mm can be obtained with spatial resolution of approximately 15-20 microm when using a diamond ATR imaging accessory with 4x magnification. No significant change in image quality such as spatial resolution or depth of penetration has been observed across the whole FOV with this method and the measurement time was approximately 15 minutes for an image consisting of 16 image tiles.

Direct determination of sorbitol and sodium glutamate by attenuated total reflectance Fourier transform infrared spectroscopy (ATR-FTIR) in the thermostabilizer employed in the production of yellow-fever vaccine.

PubMed

de Castro, Eduardo da S G; Cassella, Ricardo J

2016-05-15

Reference methods for quality control of vaccines usually require treatment of the samples before analysis. These procedures are expensive, time-consuming, unhealthy and require careful manipulation of the sample, making them a potential source of analytical errors. This work proposes a novel method for the quality control of thermostabilizer samples of the yellow fever vaccine employing attenuated total reflectance Fourier transform infrared spectrometry (ATR-FTIR). The main advantage of the proposed method is the possibility of direct determination of the analytes (sodium glutamate and sorbitol) without any pretreatment of the samples. Operational parameters of the FTIR technique, such as the number of accumulated scans and nominal resolution, were evaluated. The best conditions for sodium glutamate were achieved when 64 scans were accumulated using a nominal resolution of 4 cm(-1). The measurements for sodium glutamate were performed at 1347 cm(-1) (baseline correction between 1322 and 1369 cm(-1)). In the case of sorbitol, the measurements were done at 890cm(-1) (baseline correction between 825 and 910 cm(-1)) using a nominal resolution of 2 cm(-1) with 32 accumulated scans. In both cases, the quantitative variable was the band height. Recovery tests were performed in order to evaluate the accuracy of the method and recovery percentages in the range 93-106% were obtained. Also, the methods were compared with reference methods and no statistical differences were observed. The limits of detection and quantification for sodium glutamate were 0.20 and 0.62% (m/v), respectively, whereas for sorbitol they were 1 and 3.3% (m/v), respectively. Copyright © 2016 Elsevier B.V. All rights reserved.

Discerning some Tylenol brands using attenuated total reflection Fourier transform infrared data and multivariate analysis techniques.

PubMed

Msimanga, Huggins Z; Ollis, Robert J

2010-06-01

Principal component analysis (PCA) and partial least squares discriminant analysis (PLS-DA) were used to classify acetaminophen-containing medicines using their attenuated total reflection Fourier transform infrared (ATR-FT-IR) spectra. Four formulations of Tylenol (Arthritis Pain Relief, Extra Strength Pain Relief, 8 Hour Pain Relief, and Extra Strength Pain Relief Rapid Release) along with 98% pure acetaminophen were selected for this study because of the similarity of their spectral features, with correlation coefficients ranging from 0.9857 to 0.9988. Before acquiring spectra for the predictor matrix, the effects on spectral precision with respect to sample particle size (determined by sieve size opening), force gauge of the ATR accessory, sample reloading, and between-tablet variation were examined. Spectra were baseline corrected and normalized to unity before multivariate analysis. Analysis of variance (ANOVA) was used to study spectral precision. The large particles (35 mesh) showed large variance between spectra, while fine particles (120 mesh) indicated good spectral precision based on the F-test. Force gauge setting did not significantly affect precision. Sample reloading using the fine particle size and a constant force gauge setting of 50 units also did not compromise precision. Based on these observations, data acquisition for the predictor matrix was carried out with the fine particles (sieve size opening of 120 mesh) at a constant force gauge setting of 50 units. After removing outliers, PCA successfully classified the five samples in the first and second components, accounting for 45.0% and 24.5% of the variances, respectively. The four-component PLS-DA model (R(2)=0.925 and Q(2)=0.906) gave good test spectra predictions with an overall average of 0.961 +/- 7.1% RSD versus the expected 1.0 prediction for the 20 test spectra used.

Infrared maritime target detection using the high order statistic filtering in fractional Fourier domain

NASA Astrophysics Data System (ADS)

Zhou, Anran; Xie, Weixin; Pei, Jihong

2018-06-01

Accurate detection of maritime targets in infrared imagery under various sea clutter conditions is always a challenging task. The fractional Fourier transform (FRFT) is the extension of the Fourier transform in the fractional order, and has richer spatial-frequency information. By combining it with the high order statistic filtering, a new ship detection method is proposed. First, the proper range of angle parameter is determined to make it easier for the ship components and background to be separated. Second, a new high order statistic curve (HOSC) at each fractional frequency point is designed. It is proved that maximal peak interval in HOSC reflects the target information, while the points outside the interval reflect the background. And the value of HOSC relative to the ship is much bigger than that to the sea clutter. Then, search the curve's maximal target peak interval and extract the interval by bandpass filtering in fractional Fourier domain. The value outside the peak interval of HOSC decreases rapidly to 0, so the background is effectively suppressed. Finally, the detection result is obtained by the double threshold segmenting and the target region selection method. The results show the proposed method is excellent for maritime targets detection with high clutters.

Applicability of a Diffuse Reflectance Infrared Fourier Transform handheld spectrometer to perform in situ analyses on Cultural Heritage materials

NASA Astrophysics Data System (ADS)

Arrizabalaga, Iker; Gómez-Laserna, Olivia; Aramendia, Julene; Arana, Gorka; Madariaga, Juan Manuel

2014-08-01

This work studies the applicability of a Diffuse Reflectance Infrared Fourier Transform handheld device to perform in situ analyses on Cultural Heritage assets. This portable diffuse reflectance spectrometer has been used to characterise and diagnose the conservation state of (a) building materials of the Guevara Palace (15th century, Segura, Basque Country, Spain) and (b) different 19th century wallpapers manufactured by the Santa Isabel factory (Vitoria-Gasteiz, Basque Country, Spain) and by the well known Dufour and Leroy manufacturers (Paris, France), all of them belonging to the Torre de los Varona Castle (Villanañe, Basque Country, Spain). In all cases, in situ measurements were carried out and also a few samples were collected and measured in the laboratory by diffuse reflectance spectroscopy (DRIFT) in order to validate the information obtained by the handheld instrument. In the analyses performed in situ, distortions in the diffuse reflectance spectra can be observed due to the presence of specular reflection, showing the inverted bands caused by the Reststrahlen effect, in particular on those IR bands with the highest absorption coefficients. This paper concludes that the results obtained in situ by a diffuse reflectance handheld device are comparable to those obtained with laboratory diffuse reflectance spectroscopy equipment and proposes a few guidelines to acquire good spectra in the field, minimising the influence caused by the specular reflection.

The total column of CO2 and CH4 measured with a compact Fourier transform spectrometer at NASA Armstrong Flight Research Center and Railroad Valley, Nevada, USA

NASA Astrophysics Data System (ADS)

Kawakami, S.; Shiomi, K.; Suto, H.; Kuze, A.; Hillyard, P. W.; Tanaka, T.; Podolske, J. R.; Iraci, L. T.; Albertson, R. T.

2014-12-01

The total columns of carbon dioxide (XCO2) and methane (XCH4) were measured with a compact Fourier transform spectrometer (FTS) at NASA Armstrong Flight Research Center (AFRC) and Railroad Valley, Nevada, USA (RRV) during a vicarious calibration campaign in June 2014. The campaign was performed to estimate changes in the radiometric response of the Thermal and Near Infrared Sensor for carbon Observations Fourier Transform Spectrometer (TANSO-FTS) and the Cloud and Aerosol Imager (TANSO-CAI) aboard Greenhouse gases Observing SATellite (GOSAT). TANSO-FTS measures spectra of radiance scattered by the Earth surface with high- and medium-gain depending on the surface reflectance. At high reflectance areas, such as deserts over north Africa and Australia, TANSO-FTS collects spectra with medium-gain. There was differences on atmospheric pressure and XCO2 retrieved from spectra obtained between high-gain and medium-gain. Because the retrieved products are useful for evaluating the difference of spectral qualities between high- and medium-gain, this work is an attempt to collect validation data for spectra with medium-gain of TANSO-FTS at remote and desert area with a compact and medium-spectral resolution instrument. As a compact FTS, EM27/SUN was used. It was manufactured and newly released on April 1, 2014 by Bruker. It is robust and operable in a high temperature environment. It was housed in a steel box to protect from dust and rain and powered by Solar panels. It can be operated by such a remote and desert area, like a RRV. Over AFRC and RRV, vertical profiles of CO2 and CH4 were measured using the Alpha Jet research aircraft as part of the Alpha Jet Atmospheric eXperiment (AJAX) of ARC, NASA. The values were calibrated to standard gases. To make the results comparable to WMO (World Meteorological Organization) standards, the retrieved XCO2 and XCH4 values are divided by a calibration factor. This values were determined by comparisons with in situ profiles measured by the aircraft. At AFRC it was operated by the side of a ground-based Total Carbon Column Observing Network (TCCON) FTS (Bruker IFS 125HR) and the diurnal variation agreed well . In this presentation, we will show results on XCO2 and XCH4 observations made by a compact FTS at AFRC and RRV and comparison of GOSAT and TCCON FTS.

An optical Fourier transform coprocessor with direct phase determination.

PubMed

Macfaden, Alexander J; Gordon, George S D; Wilkinson, Timothy D

2017-10-20

The Fourier transform is a ubiquitous mathematical operation which arises naturally in optics. We propose and demonstrate a practical method to optically evaluate a complex-to-complex discrete Fourier transform. By implementing the Fourier transform optically we can overcome the limiting O(nlogn) complexity of fast Fourier transform algorithms. Efficiently extracting the phase from the well-known optical Fourier transform is challenging. By appropriately decomposing the input and exploiting symmetries of the Fourier transform we are able to determine the phase directly from straightforward intensity measurements, creating an optical Fourier transform with O(n) apparent complexity. Performing larger optical Fourier transforms requires higher resolution spatial light modulators, but the execution time remains unchanged. This method could unlock the potential of the optical Fourier transform to permit 2D complex-to-complex discrete Fourier transforms with a performance that is currently untenable, with applications across information processing and computational physics.

Investigation on H-containing shallow trap of hydrogenated TiO2 with in situ Fourier transform infrared diffuse reflection spectroscopy.

PubMed

Han, Bing; Hang Hu, Yun

2017-07-28

A novel technique, high temperature high pressure in situ Fourier transform infrared diffuse reflection spectroscopy, was successfully used to investigate the formation and stability of shallow trap states in P25 TiO 2 nanoparticles. Two types of shallow traps (with and without H atoms) were identified. The H-containing shallow trap can be easily generated by heating in H 2 atmosphere. However, the trap is unstable in vacuum at 600 °C. In contrast, the H-free shallow trap, which can be formed by heating in vacuum, is stable even at 600 °C. The energy gaps between shallow trap states and the conduction band are 0.09 eV for H-containing shallow trap and 0.13 eV for H-free shallow trap, indicating that the H-containing shallow trap state is closer to the conduction band than that without H.

The Delicate Analysis of Short-Term Load Forecasting

NASA Astrophysics Data System (ADS)

Song, Changwei; Zheng, Yuan

2017-05-01

This paper proposes a new method for short-term load forecasting based on the similar day method, correlation coefficient and Fast Fourier Transform (FFT) to achieve the precision analysis of load variation from three aspects (typical day, correlation coefficient, spectral analysis) and three dimensions (time dimension, industry dimensions, the main factors influencing the load characteristic such as national policies, regional economic, holidays, electricity and so on). First, the branch algorithm one-class-SVM is adopted to selection the typical day. Second, correlation coefficient method is used to obtain the direction and strength of the linear relationship between two random variables, which can reflect the influence caused by the customer macro policy and the scale of production to the electricity price. Third, Fourier transform residual error correction model is proposed to reflect the nature of load extracting from the residual error. Finally, simulation result indicates the validity and engineering practicability of the proposed method.

Determination of uronic acids in isolated hemicelluloses from kenaf using diffuse reflectance infrared fourier transform spectroscopy (DRIFTS) and the curve-fitting deconvolution method.

PubMed

Batsoulis, A N; Nacos, M K; Pappas, C S; Tarantilis, P A; Mavromoustakos, T; Polissiou, M G

2004-02-01

Hemicellulose samples were isolated from kenaf (Hibiscus cannabinus L.). Hemicellulosic fractions usually contain a variable percentage of uronic acids. The uronic acid content (expressed in polygalacturonic acid) of the isolated hemicelluloses was determined by diffuse reflectance infrared Fourier transform spectroscopy (DRIFTS) and the curve-fitting deconvolution method. A linear relationship between uronic acids content and the sum of the peak areas at 1745, 1715, and 1600 cm(-1) was established with a high correlation coefficient (0.98). The deconvolution analysis using the curve-fitting method allowed the elimination of spectral interferences from other cell wall components. The above method was compared with an established spectrophotometric method and was found equivalent for accuracy and repeatability (t-test, F-test). This method is applicable in analysis of natural or synthetic mixtures and/or crude substances. The proposed method is simple, rapid, and nondestructive for the samples.

Diagnostics of cancer tissues by fiber optic evanescent wave Fourier transform IR (FEW-FTIR) spectroscopy

NASA Astrophysics Data System (ADS)

Afanasyeva, Natalia I.; Kolyakov, Sergei F.; Letokhov, Vladilen S.; Golovkina, Viktoriya N.

1997-08-01

Fiber optic evanescent wave Fourier transform infrared (FEW- FTIR) spectroscopy using fiberoptic sensors operated in the attenuated total reflection (ATR) regime in the middle infrared (IR) region of the spectrum (850 - 1850 cm-1) has recently found application in the diagnostics of tissues. The method is suitable for noninvasive and rapid (seconds) direct measurements of the spectra of normal and pathological tissues in vitro, ex vivo and in vivo. The aim of our studies is the express testing of various tumor tissues at the early stages of their development. The method is expected to be further developed for endoscopic and biopsy applications. We measured in vivo the skin normal and malignant tissues on surface (directly on patients) in various cases of basaloma, melanoma and nevus. The experiments were performed in operating room for measurements of skin in the depth (under/in the layers of epidermis), human breast, stomach, lung, kidney tissues. The breast and skin tissues at different stages of tumor or cancer were distinguished very clearly in spectra of amide, side cyclic and noncyclic hydrogen bonded fragments of aminoacid residuals, phosphate groups and sugars. Computer monitoring is being developed for diagnostics.

Infrared Spectroscopy as a Tool to Study the Antioxidant Activity of Polyphenolic Compounds in Isolated Rat Enterocytes

PubMed Central

Barraza-Garza, Guillermo; Castillo-Michel, Hiram; de la Rosa, Laura A.; Martinez-Martinez, Alejandro; Pérez-León, Jorge A.; Cotte, Marine; Alvarez-Parrilla, Emilio

2016-01-01

The protective effect of different polyphenols, catechin (Cat), quercetin (Qc) (flavonoids), gallic acid (GA), caffeic acid (CfA), chlorogenic acid (ChA) (phenolic acids), and capsaicin (Cap), against H2O2-induced oxidative stress was evaluated in rat enterocytes using Attenuated Total Reflectance-Fourier Transform Infrared (ATR-FTIR) Spectroscopy and Fourier Transform Infrared Microspectroscopy (FTIRM), and results were compared to standard lipid peroxidation techniques: conjugated dienes (CD) and Thiobarbituric Acid Reactive Substances (TBARS). Analysis of ATR-FTIR and FTIRM spectral data allowed the simultaneous evaluation of the effects of H2O2 and polyphenols on lipid and protein oxidation. All polyphenols showed a protective effect against H2O2-induced oxidative stress in enterocytes, when administered before or after H2O2. Cat and capsaicin showed the highest protective effect, while phenolic acids had weaker effects and Qc presented a mild prooxidative effect (IR spectral profile of biomolecules between control and H2O2-treated cells) according to FTIR analyses. These results demonstrated the viability to use infrared spectroscopy to evaluate the oxidant and antioxidant effect of molecules in cell systems assays. PMID:27213031

Application of Fourier transform infrared spectroscopy with chemometrics on postmortem interval estimation based on pericardial fluids.

PubMed

Zhang, Ji; Li, Bing; Wang, Qi; Wei, Xin; Feng, Weibo; Chen, Yijiu; Huang, Ping; Wang, Zhenyuan

2017-12-21

Postmortem interval (PMI) evaluation remains a challenge in the forensic community due to the lack of efficient methods. Studies have focused on chemical analysis of biofluids for PMI estimation; however, no reports using spectroscopic methods in pericardial fluid (PF) are available. In this study, Fourier transform infrared (FTIR) spectroscopy with attenuated total reflectance (ATR) accessory was applied to collect comprehensive biochemical information from rabbit PF at different PMIs. The PMI-dependent spectral signature was determined by two-dimensional (2D) correlation analysis. The partial least square (PLS) and nu-support vector machine (nu-SVM) models were then established based on the acquired spectral dataset. Spectral variables associated with amide I, amide II, COO - , C-H bending, and C-O or C-OH vibrations arising from proteins, polypeptides, amino acids and carbohydrates, respectively, were susceptible to PMI in 2D correlation analysis. Moreover, the nu-SVM model appeared to achieve a more satisfactory prediction than the PLS model in calibration; the reliability of both models was determined in an external validation set. The study shows the possibility of application of ATR-FTIR methods in postmortem interval estimation using PF samples.

Fourier transform mid-infrared (MIR) and near-infrared (NIR) spectroscopy for rapid quality assessment of Chinese medicine preparation Honghua Oil.

PubMed

Wu, Yan-Wen; Sun, Su-Qin; Zhou, Qun; Leung, Hei-Wun

2008-02-13

Honghua Oil (HHO), a traditional Chinese medicine (TCM) oil preparation, is a mixture of several plant essential oils. In this text, the extended ranges of Fourier transform mid-infrared (FT-MIR) and near infrared (FT-NIR) were recorded for 48 commercially available HHOs of different batches from nine manufacturers. The qualitative and quantitative analysis of three marker components, alpha-pinene, methyl salicylate and eugenol, in different HHO products were performed rapidly by the two vibrational spectroscopic methods, i.e. MIR with horizontal attenuated total reflection (HATR) accessory and NIR with direct sampling technique, followed by partial least squares (PLS) regression treatment of the set of spectra obtained. The results indicated that it was successful to identify alpha-pinene, methyl salicylate and eugenol in all of the samples by simple inspection of the MIR-HATR spectra. Both PLS models established with MIR-HATR and NIR spectral data using gas chromatography (GC) peak areas as calibration reference showed a good linear correlation for each of all three target substances in HHO samples. The above spectroscopic techniques may be the promising methods for the rapid quality assessment/quality control (QA/QC) of TCM oil preparations.

Chemometric compositional analysis of phenolic compounds in fermenting samples and wines using different infrared spectroscopy techniques.

PubMed

Aleixandre-Tudo, Jose Luis; Nieuwoudt, Helene; Aleixandre, Jose Luis; du Toit, Wessel

2018-01-01

The wine industry requires reliable methods for the quantification of phenolic compounds during the winemaking process. Infrared spectroscopy appears as a suitable technique for process control and monitoring. The ability of Fourier transform near infrared (FT-NIR), attenuated total reflectance mid infrared (ATR-MIR) and Fourier transform infrared (FT-IR) spectroscopies to predict compositional phenolic levels during red wine fermentation and aging was investigated. Prediction models containing a large number of samples collected over two vintages from several industrial fermenting tanks as well as wine samples covering a varying number of vintages were validated. FT-NIR appeared as the most accurate technique to predict the phenolic content. Although slightly less accurate models were observed, ATR-MIR and FT-IR can also be used for the prediction of the majority of phenolic measurements. Additionally, the slope and intercept test indicated a systematic error for the three spectroscopies which seems to be slightly more pronounced for HPLC generated phenolics data than for the spectrophotometric parameters. However, the results also showed that the predictions made with the three instruments are statistically comparable. The robustness of the prediction models was also investigated and discussed. Copyright © 2017 Elsevier B.V. All rights reserved.

Implementation of quantum and classical discrete fractional Fourier transforms.

PubMed

Weimann, Steffen; Perez-Leija, Armando; Lebugle, Maxime; Keil, Robert; Tichy, Malte; Gräfe, Markus; Heilmann, René; Nolte, Stefan; Moya-Cessa, Hector; Weihs, Gregor; Christodoulides, Demetrios N; Szameit, Alexander

2016-03-23

Fourier transforms, integer and fractional, are ubiquitous mathematical tools in basic and applied science. Certainly, since the ordinary Fourier transform is merely a particular case of a continuous set of fractional Fourier domains, every property and application of the ordinary Fourier transform becomes a special case of the fractional Fourier transform. Despite the great practical importance of the discrete Fourier transform, implementation of fractional orders of the corresponding discrete operation has been elusive. Here we report classical and quantum optical realizations of the discrete fractional Fourier transform. In the context of classical optics, we implement discrete fractional Fourier transforms of exemplary wave functions and experimentally demonstrate the shift theorem. Moreover, we apply this approach in the quantum realm to Fourier transform separable and path-entangled biphoton wave functions. The proposed approach is versatile and could find applications in various fields where Fourier transforms are essential tools.

Implementation of quantum and classical discrete fractional Fourier transforms

PubMed Central

Weimann, Steffen; Perez-Leija, Armando; Lebugle, Maxime; Keil, Robert; Tichy, Malte; Gräfe, Markus; Heilmann, René; Nolte, Stefan; Moya-Cessa, Hector; Weihs, Gregor; Christodoulides, Demetrios N.; Szameit, Alexander

2016-01-01

Fourier transforms, integer and fractional, are ubiquitous mathematical tools in basic and applied science. Certainly, since the ordinary Fourier transform is merely a particular case of a continuous set of fractional Fourier domains, every property and application of the ordinary Fourier transform becomes a special case of the fractional Fourier transform. Despite the great practical importance of the discrete Fourier transform, implementation of fractional orders of the corresponding discrete operation has been elusive. Here we report classical and quantum optical realizations of the discrete fractional Fourier transform. In the context of classical optics, we implement discrete fractional Fourier transforms of exemplary wave functions and experimentally demonstrate the shift theorem. Moreover, we apply this approach in the quantum realm to Fourier transform separable and path-entangled biphoton wave functions. The proposed approach is versatile and could find applications in various fields where Fourier transforms are essential tools. PMID:27006089

Analysis of hard-to-cook red and black common beans using Fourier transform infrared spectroscopy.

PubMed

Maurer, Giselle A; Ozen, Banu F; Mauer, Lisa J; Nielsen, S Suzanne

2004-03-24

Extracted fractions from black and red common beans (Phaseolus vulgaris) were studied using Fourier transform infrared spectroscopy (FT-IR). Beans were stored under three conditions: control at 4 degrees C; hard-to-cook (HTC) at 29 degrees C, 65% RH for 3.5 months; and refrigerated at 2 degrees C, 79% RH for 3.5 months after a HTC period (called HTC-refrigerated). Two fractions isolated from the beans, the soluble pectin fraction (SPF) and the water insoluble residue of the cell wall (WIRCW), were analyzed using diffuse reflectance (DRIFTS) FT-IR. The soaking water and cooking water from the beans were also studied using attenuated total reflectance (ATR) FT-IR. The DRIFTS FT-IR results from the SPF and WIRCW fractions were consistent with previously published data for Carioca beans showing that in general, more phenolic compounds were associated with the SPF of HTC beans than in the control beans. Results also showed that HTC-refrigerated beans had higher concentrations of phenolic compounds than control beans in the SPF. The ATR FT-IR results for soaking and cooking waters from the HTC-refrigerated and HTC beans had higher concentrations of absorbing compounds than the control beans, indicating that they lost more constituents to the water. Additionally, results indicate that the mechanism(s) for reversibility of the HTC defect could be different than the one(s) involved in the development of the defect.

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

Hoffman, D. Mark

Here, three polymers are routinely used as binders for plastic bonded explosives by Lawrence Livermore National Laboratory, FK-800, Viton A 100, and Oxy 461. Attenuated total reflectance Fourier transform infrared measurements were performed on 10 different lots of FK-800, 5 different lots of Oxy 461, and 3 different lots of Viton A-100, one sample of Viton VTR 5883 and 2 Fluorel polymers of hexafluoropropene and vinylidene fluoride. The characteristic IR bands were measured. If possible, their vibrational modes were assigned based on literature data. Simple Mopac calculations were used to validate these vibrational mode assignments. Somewhat more sophisticated calculations weremore » run using Gaussian on the same structures.« less

The optical design of a far infrared imaging FTS for SPICA

NASA Astrophysics Data System (ADS)

Pastor, Carmen; Zuluaga, Pablo; Jellema, Willem; González Fernández, Luis Miguel; Belenguer, Tomas; Torres Redondo, Josefina; Kooijman, Peter Paul; Najarro, Francisco; Eggens, Martin; Roelfsema, Peter; Nakagawa, Takao

2014-08-01

This paper describes the optical design of the far infrared imaging spectrometer for the JAXA's SPICA mission. The SAFARI instrument, is a cryogenic imaging Fourier transform spectrometer (iFTS), designed to perform backgroundlimited spectroscopic and photometric imaging in the band 34-210 μm. The all-reflective optical system is highly modular and consists of three main modules; input optics module, interferometer module (FTS) and camera bay optics. A special study has been dedicated to the spectroscopic performance of the instrument, in which the spectral response and interference of the instrument have been modeled, as the FTS mechanism scans over the total desired OPD range.

Chemo-physical properties of renal capsules under ultraviolet-c exposure

NASA Astrophysics Data System (ADS)

Baghapour, Sh.; Parvin, P.; Reyhani, A.; Mortazavi, S. Z.; Mokhtari, S.; Amjadi, A.

2014-08-01

The renal capsule tissue of lamb was irradiated with ultraviolet-C light and the treated samples were analyzed by uniaxial tensile test, dynamic mechanical analysis, attenuated total reflectance Fourier transform infrared spectroscopy, X-ray photoelectron spectroscopy and contact angle measurements. It was shown that the skin cross-linking is dominant in low doses in accordance with the contact angle assessment. Conversely, the strong bulk degradation takes place at high doses. Similarly, the bulk cross-linking affects the mechanical tests as to enhance the stiffness at low doses, whereas strong degradation occurs at high doses that mainly arises from the strong bulk chain scission.

Recovery of Platinum from Dilute Chloride Media Using Biosorbents

NASA Astrophysics Data System (ADS)

Zeytuncu, B.; Morcali, M. H.; Yucel, O.

Pistachio nut shells and Rice husk, a biomass residue, were investigated as adsorbents for the platinum uptake from synthetically prepared dilute chloroplatinic acid solutions. The effects of the different uptake parameters on platinum uptake (%) were studied in detail on a batch sorption. Before the pistachio nut shell material was activated, platinum uptake (%) was poor compared with rice husk. However, after the pistachio nut shell material was activated at 1000°C under an argon atmosphere, the platinum uptake (%) increased two-fold. The pistachio nut shell (inactivated and activated) and rice husk were characterized by Attenuated Total Reflection-Fourier transform infrared spectroscopy (ATR-FTIR).

Antimicrobial Activities of Silver Nanoparticles Synthesized by Using Water Extract of Arnicae anthodium.

PubMed

Dobrucka, Renata; Długaszewska, Jolanta

2015-06-01

Green synthesis of nanoparticles has gained significant importance in recent years and has become the one of the most preferred methods. Also, green synthesis of nanoparticles is valuable branch of nanotechnology. Plant extracts are eco-friendly and can be an economic option for synthesis of nanoparticles. This study presents method the synthesis of silver nanoparticles using water extract of Arnicae anthodium. Formation of silver nanoparticles was confirmed by UV-visble spectroscopy, Fourier transform infrared spectroscopy and total reflection X-ray fluorescence analysis. The morphology of the synthesized silver nanoparticles was verified by SEM-EDS. The obtained silver nanoparticles were used to study their antimicrobial activity.

Annealing improves tribological property of poly(octadecene- alt -maleic anhydride) self-assembled film

NASA Astrophysics Data System (ADS)

Song, Shiyong; Liu, Lei; Zhang, Junyan

2011-09-01

A poly(octadecene-alt-maleic anhydride) (POMA) film was covalently immobilized on N-[3-(trimethoxylsilyl)propyl]ethylenediamine self-assembled monolayer modified silicon surface. Attenuated total reflectance Fourier transform infrared spectra were used to confirm the chemical bonding. Water contact angles and ellipsometric thicknesses were measured before and after annealing treatment. Atomic force microscopy was applied for top morphology, surface adhesion force and friction force. Anti-wear properties of the films were also evaluated on a ball-on-plate tribometer. It was found that annealing treatment which would evoke a conformation transform thermodynamically, was a critical step in the preparation of anti-wear films, especially for polymer ones. The correlation between structure and tribological property was revealed, which has profound meaning in designing excellent anti-wear nano-coatings used in microelectronic mechanical systems (MEMS).

A Unified Method of Finding Laplace Transforms, Fourier Transforms, and Fourier Series. [and] An Inversion Method for Laplace Transforms, Fourier Transforms, and Fourier Series. Integral Transforms and Series Expansions. Modules and Monographs in Undergraduate Mathematics and Its Applications Project. UMAP Units 324 and 325.

ERIC Educational Resources Information Center

Grimm, C. A.

This document contains two units that examine integral transforms and series expansions. In the first module, the user is expected to learn how to use the unified method presented to obtain Laplace transforms, Fourier transforms, complex Fourier series, real Fourier series, and half-range sine series for given piecewise continuous functions. In…

ATR-FTIR membrane-based sensor for the simultaneous determination of surfactant and oil total indices in industrial degreasing baths.

PubMed

Lucena, Rafael; Cárdenas, Soledad; Gallego, Mercedes; Valcárcel, Miguel

2006-03-01

Monitoring the exhaustion of alkaline degreasing baths is one of the main aspects in metal mechanizing industrial process control. The global level of surfactant, and mainly grease, can be used as ageing indicators. In this paper, an attenuated total reflection-Fourier transform infrared (ATR-FTIR) membrane-based sensor is presented for the determination of these parameters. The system is based on a micro-liquid-liquid extraction of the analytes through a polymeric membrane from the aqueous to the organic solvent layer which is in close contact with the internal reflection element and continuously monitored. Samples are automatically processed using a simple, robust sequential injection analysis (SIA) configuration, on-line coupled to the instrument. The global signal obtained for both families of compounds are processed via a multivariate calibration technique (partial least squares, PLS). Excellent correlation was obtained for the values given by the proposed method compared to those of the gravimetric reference one with very low error values for both calibration and validation.

Attenuated total reflectance-FT-IR spectroscopy for gunshot residue analysis: potential for ammunition determination.

PubMed

Bueno, Justin; Sikirzhytski, Vitali; Lednev, Igor K

2013-08-06

The ability to link a suspect to a particular shooting incident is a principal task for many forensic investigators. Here, we attempt to achieve this goal by analysis of gunshot residue (GSR) through the use of attenuated total reflectance (ATR) Fourier transform infrared spectroscopy (FT-IR) combined with statistical analysis. The firearm discharge process is analogous to a complex chemical process. Therefore, the products of this process (GSR) will vary based upon numerous factors, including the specific combination of the firearm and ammunition which was discharged. Differentiation of FT-IR data, collected from GSR particles originating from three different firearm-ammunition combinations (0.38 in., 0.40 in., and 9 mm calibers), was achieved using projection to latent structures discriminant analysis (PLS-DA). The technique was cross (leave-one-out), both internally and externally, validated. External validation was achieved via assignment (caliber identification) of unknown FT-IR spectra from unknown GSR particles. The results demonstrate great potential for ATR-FT-IR spectroscopic analysis of GSR for forensic purposes.

Attenuated Total Reflection Mid-Infrared (ATR-MIR) Spectroscopy and Chemometrics for the Identification and Classification of Commercial Tannins.

PubMed

Ricci, Arianna; Parpinello, Giuseppina P; Olejar, Kenneth J; Kilmartin, Paul A; Versari, Andrea

2015-11-01

Attenuated total reflection Fourier transform infrared (FT-IR) spectroscopy was used to characterize 40 commercial tannins, including condensed and hydrolyzable chemical classes, provided as powder extracts from suppliers. Spectral data were processed to detect typical molecular vibrations of tannins bearing different chemical groups and of varying botanical origin (univariate qualitative analysis). The mid-infrared region between 4000 and 520 cm(-1) was analyzed, with a particular emphasis on the vibrational modes in the fingerprint region (1800-520 cm(-1)), which provide detailed information about skeletal structures and specific substituents. The region 1800-1500 cm(-1) contained signals due to hydrolyzable structures, while bands due to condensed tannins appeared at 1300-900 cm(-1) and exhibited specific hydroxylation patterns useful to elucidate the structure of the flavonoid monomeric units. The spectra were investigated further using principal component analysis for discriminative purposes, to enhance the ability of infrared spectroscopy in the classification and quality control of commercial dried extracts and to enhance their industrial exploitation.

Characterization of Printing Inks Using DART-Q-TOF-MS and Attenuated Total Reflectance (ATR) FTIR.

PubMed

Williamson, Rhett; Raeva, Anna; Almirall, Jose R

2016-05-01

The rise in improved and widely accessible printing technology has resulted in an interest to develop rapid and minimally destructive chemical analytical techniques that can characterize printing inks for forensic document analysis. Chemical characterization of printing inks allows for both discrimination of inks originating from different sources and the association of inks originating from the same source. Direct analysis in real-time mass spectrometry (DART-MS) and attenuated total reflectance Fourier transform infrared spectroscopy (ATR-FTIR) were used in tandem to analyze four different classes of printing inks: inkjets, toners, offset, and intaglio. A total of 319 samples or ~ 80 samples from each class were analyzed directly on a paper substrate using the two methods. DART-MS was found to characterize the semi-volatile polymeric vehicle components, while ATR-FTIR provided chemical information associated with the bulk components of these inks. Complimentary data results in improved discrimination when both techniques are used in succession resulting in >96% discrimination for all toners, 95% for all inkjets, >92% for all offset, and >54% for all intaglio inks. © 2016 American Academy of Forensic Sciences.

Label-Free Determination of Protein Binding in Aqueous Solution using Overlayer Enhanced Attenuated Total Reflectance Fourier Transform Infrared Spectroscopy (OE-ATR-FTIR)

NASA Astrophysics Data System (ADS)

Ruthenburg, Travis; Aweda, Tolulope; Park, Simon; Meares, Claude; Land, Donald

2009-03-01

Protein binding/affinity studies are often performed using Surface Plasmon Resonance techniques that don't produce much spectral information. Measurement of protein binding affinity using FTIR is traditionally performed using high protein concentration or deuterated solvent. By immobilizing a protein near the surface of a gold-coated germanium internal reflection element interactions can be measured between an immobilized protein and free proteins or small molecules in aqueous solution. By monitoring the on and off rates of these interactions, the dissociation constant for the system can be determined. The dissociation constant for the molecule Yttrium-DOTA binding to the antibody 2D12.5 system was determined to be 100nM. Results will also be presented from our measurements of Bovine Serum Albumin (BSA) binding to anti-BSA.

Application of reflectance micro-Fourier Transform infrared analysis to the study of coal macerals: An example from the Late Jurassic to Early Cretaceous coals of the Mist Mountain Formation, British Columbia, Canada

USGS Publications Warehouse

Mastalerz, Maria; Bustin, R.M.

1996-01-01

The applicability of the reflectance micro-Fourier Transform infra-red spectroscopy (FTIR) technique for analyzing the distribution of functional groups in coal macerals is discussed. High quality of spectra, comparable to those obtained using other FTIR techniques (KBr pellet and transmission micro-FTIR), indicate this technique can be applied to characterizing functional groups under most conditions. The ease of sample preparation, the potential to analyze large intact samples, and ability to characterize organic matter in areas as small as 20 ??m are the main advantages of reflectance micro-FTIR. The quantitative aspects of reflectance micro-FTIR require further study. The examples from the coal seams of the Mist Mountain Formation, British Columbia show that at high volatile bituminous rank, reflectance micro-FTIR provides valuable information on the character of aliphatic chains of vitrinite and liptinite macerals. Because the character of aliphatic chains influences bond disassociation energies, such information is useful from a hydrocarbon generation viewpoint. In medium volatile bituminous coal liptinite macerals are usually not detectable but this technique can be used to study the degree of oxidation and reactivity of vitrinite and semifusinite.

Applicability of a Diffuse Reflectance Infrared Fourier Transform handheld spectrometer to perform in situ analyses on Cultural Heritage materials.

PubMed

Arrizabalaga, Iker; Gómez-Laserna, Olivia; Aramendia, Julene; Arana, Gorka; Madariaga, Juan Manuel

2014-08-14

This work studies the applicability of a Diffuse Reflectance Infrared Fourier Transform handheld device to perform in situ analyses on Cultural Heritage assets. This portable diffuse reflectance spectrometer has been used to characterise and diagnose the conservation state of (a) building materials of the Guevara Palace (15th century, Segura, Basque Country, Spain) and (b) different 19th century wallpapers manufactured by the Santa Isabel factory (Vitoria-Gasteiz, Basque Country, Spain) and by the well known Dufour and Leroy manufacturers (Paris, France), all of them belonging to the Torre de los Varona Castle (Villanañe, Basque Country, Spain). In all cases, in situ measurements were carried out and also a few samples were collected and measured in the laboratory by diffuse reflectance spectroscopy (DRIFT) in order to validate the information obtained by the handheld instrument. In the analyses performed in situ, distortions in the diffuse reflectance spectra can be observed due to the presence of specular reflection, showing the inverted bands caused by the Reststrahlen effect, in particular on those IR bands with the highest absorption coefficients. This paper concludes that the results obtained in situ by a diffuse reflectance handheld device are comparable to those obtained with laboratory diffuse reflectance spectroscopy equipment and proposes a few guidelines to acquire good spectra in the field, minimising the influence caused by the specular reflection. Copyright © 2014 Elsevier B.V. All rights reserved.

Plant-based Food and Feed Protein Structure Changes Induced by Gene-transformation heating and bio-ethanol processing: A Synchrotron-based Molecular Structure and Nutrition Research Program

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

P Yu

Unlike traditional 'wet' analytical methods which during processing for analysis often result in destruction or alteration of the intrinsic protein structures, advanced synchrotron radiation-based Fourier transform infrared microspectroscopy has been developed as a rapid and nondestructive and bioanalytical technique. This cutting-edge synchrotron-based bioanalytical technology, taking advantages of synchrotron light brightness (million times brighter than sun), is capable of exploring the molecular chemistry or structure of a biological tissue without destruction inherent structures at ultra-spatial resolutions. In this article, a novel approach is introduced to show the potential of the advanced synchrotron-based analytical technology, which can be used to study plant-basedmore » food or feed protein molecular structure in relation to nutrient utilization and availability. Recent progress was reported on using synchrotron-based bioanalytical technique synchrotron radiation-based Fourier transform infrared microspectroscopy and diffused reflectance infrared Fourier transform spectroscopy to detect the effects of gene-transformation (Application 1), autoclaving (Application 2), and bio-ethanol processing (Application 3) on plant-based food and feed protein structure changes on a molecular basis. The synchrotron-based technology provides a new approach for plant-based protein structure research at ultra-spatial resolutions at cellular and molecular levels.« less

Swept source optical coherence tomography of objects with arbitrary reflectivity profiles

NASA Astrophysics Data System (ADS)

Mezgebo, Biniyam; Nagib, Karim; Fernando, Namal; Kordi, Behzad; Sherif, Sherif

2018-03-01

Swept Source optical coherence tomography (SS-OCT) has become a well established imaging modality for both medical and industrial diagnostic applications. A cross-sectional SS-OCT image is obtained by applying an inverse discrete Fourier transform (DFT) to axial interferogram measured in the frequency domain (k-space). Fourier inversion of the obtained interferogram typically produces a potentially overlapping conjugate mirror image, whose overlap could be avoided by restricting the object to have its highest reflectivity at its surface. However, this restriction may not be fulfilled when imaging a very thin object that is placed on a highly reflective surface, or imaging an object containing a contrast agent with high reflectivity. In this paper, we show that oversampling of the SS-OCT signal in k-space would overcome the need for such restriction on the object. Our result is demonstrated using SS-OCT images of Axolotl salamander eggs.

New Insights into CO2 Adsorption on Layered Double Hydroxide (LDH)-Based Nanomaterials

NASA Astrophysics Data System (ADS)

Tang, Nian; He, Tingyu; Liu, Jie; Li, Li; Shi, Han; Cen, Wanglai; Ye, Zhixiang

2018-02-01

The interlamellar spacing of layered double hydroxides (LDHs) was enlarged by dodecyl sulfonate ions firstly, and then, (3-aminopropyl)triethoxysilane (APS) was chemically grafted (APS/LDHs). The structural characteristics and thermal stability of these prepared samples were characterized by X-ray diffraction (XRD), transmission electron microscopy (TEM), reflectance Fourier transform infrared spectrometer (FTIR), thermogravimetric analysis (TG), and elemental analysis (EA) respectively. The CO2 adsorption performance was investigated adopting TG and diffuse reflectance infrared Fourier transform spectroscopy (DRIFTS). The results presented that the CO2 adsorption capacity on APS/LDHs was as high as 90 mg/g and showed no obvious reduction during a five cyclic adsorption-desorption test, indicating its superior performance stability. The DRIFTS results showed that both carbamates and weakly bounded CO2 species were generated on APS/LDHs. The weakly adsorbed species was due to the different local chemical environment for CO2 capture provided by the surface moieties of LDHs like free silanol and hydrogen bonds.

Accurate Transmittance Measurements of Thick, High-Index, High- Dispersion, IR Windows, Using a Fourier Transform IR Spectrometer

NASA Astrophysics Data System (ADS)

Kupferberg, Lenn C.

1996-03-01

Fourier transform IR [FT-IR] spectrometers have virtually replaced scanned grating IR spectrometers in the commercial market. While FTIR spectrometers have been a boon for the chemist, they present problems for the measurement of transmittance of thick, high-index, high-dispersion, IR windows. Reflection and refraction of light by the windows introduce measurement errors. The principles of the FT-IR spectrometer will be briefly reviewed. The origins of the measurement errors will be discussed. Simple modifications to the operation of commercially available instruments will be presented. These include using strategically placed apertures and the use of collimated vs. focused beams at the sample position. They are essential for removing the effects of reflected light entering the interferometer and limiting the divergence angle of light in the interferometer. The latter minimizes refractive effects and insures consistent underfilling of the detector. Data will be shown from FT-IR spectrometers made by four manufactures and compared to measurements from a dispersive spectrometer.

Differentiation of Body Fluid Stains on Fabrics Using External Reflection Fourier Transform Infrared Spectroscopy (FT-IR) and Chemometrics.

PubMed

Zapata, Félix; de la Ossa, Ma Ángeles Fernández; García-Ruiz, Carmen

2016-04-01

Body fluids are evidence of great forensic interest due to the DNA extracted from them, which allows genetic identification of people. This study focuses on the discrimination among semen, vaginal fluid, and urine stains (main fluids in sexual crimes) placed on different colored cotton fabrics by external reflection Fourier transform infrared spectroscopy (FT-IR) combined with chemometrics. Semen-vaginal fluid mixtures and potential false positive substances commonly found in daily life such as soaps, milk, juices, and lotions were also studied. Results demonstrated that the IR spectral signature obtained for each body fluid allowed its identification and the correct classification of unknown stains by means of principal component analysis (PCA) and soft independent modeling of class analogy (SIMCA). Interestingly, results proved that these IR spectra did not show any bands due to the color of the fabric and no substance of those present in daily life which were analyzed, provided a false positive. © The Author(s) 2016.

Analysis of grain boundary phase devitrification of Y2O3- and Al2O3-doped Si3N4

NASA Technical Reports Server (NTRS)

Hench, L. L.; Vaidyanathan, P. N.

1983-01-01

The present study has the objective to show that a Fourier Transform IR (FTIR) spectrometer in a single-beam reflection mode can be used for direct comparison of fractured vs nonfractured Si3N4 surfaces. This can be done because the FTIR method permits a digital summation of nearly 1000 scans of the fracture surface. Commercial-grade Si3N4, Y2O3, and Al2O3 were used in the study. The samples were heat treated in a vacuum induction heating furnace at either 1000 C for 10 h or 1200 C for 10 h each. Use of Fourier transform IR reflection spectroscopic analysis and X-ray diffraction shows that 10 h at 1200 C is sufficient to devitrify the amorphous grain boundary phase of Si3N4 containing 15 percent Y2O3 + 2 percent Al2O3 densification aids.

Stain-etched porous silicon nanostructures for multicrystalline silicon-based solar cells

NASA Astrophysics Data System (ADS)

Ben Rabha, M.; Hajji, M.; Belhadj Mohamed, S.; Hajjaji, A.; Gaidi, M.; Ezzaouia, H.; Bessais, B.

2012-02-01

In this paper, we study the optical, optoelectronic and photoluminescence properties of stain-etched porous silicon nanostructures obtained with different etching times. Special attention is given to the use of the stain-etched PS as an antireflection coating as well as for surface passivating capabilities. The surface morphology has been analyzed by scanning electron microscopy. The evolution of the Si-O and Si-H absorption bands was analyzed by Fourier transform infrared spectrometry before and after PS treatment. Results show that stain etching of the silicon surface drops the total reflectivity to about 7% in the 400-1100 nm wavelength range and the minority carrier lifetime enhances to about 48 μs.

Mechanism of wiggling enhancement due to HBr gas addition during amorphous carbon etching

NASA Astrophysics Data System (ADS)

Kofuji, Naoyuki; Ishimura, Hiroaki; Kobayashi, Hitoshi; Une, Satoshi

2015-06-01

The effect of gas chemistry during etching of an amorphous carbon layer (ACL) on wiggling has been investigated, focusing especially on the changes in residual stress. Although the HBr gas addition reduces critical dimension loss, it enhances the surface stress and therefore increases wiggling. Attenuated total reflectance Fourier transform infrared spectroscopy revealed that the increase in surface stress was caused by hydrogenation of the ACL surface with hydrogen radicals. Three-dimensional (3D) nonlinear finite element method analysis confirmed that the increase in surface stress is large enough to cause the wiggling. These results also suggest that etching with hydrogen compound gases using an ACL mask has high potential to cause the wiggling.

Assembly of Ring-Shaped Phosphorus within Carbon Nanotube Nanoreactors.

PubMed

Zhang, Jinying; Zhao, Dan; Xiao, Dingbin; Ma, Chuansheng; Du, Hongchu; Li, Xin; Zhang, Lihui; Huang, Jialiang; Huang, Hongyang; Jia, Chun-Lin; Tománek, David; Niu, Chunming

2017-02-06

A phosphorus allotrope that has not been observed so far, ring-shaped phosphorus consisting of alternate P 8 and P 2 structural units, has been assembled inside multi-walled carbon nanotube nanoreactors with inner diameters of 5-8 nm by a chemical vapor transport and reaction of red phosphorus at 500 °C. The ring-shaped nanostructures with surrounding graphene walls are stable under ambient conditions. The nanostructures were characterized by high-resolution transmission electron microscopy, scanning transmission electron microscopy, energy-dispersive X-ray spectroscopy, Raman scattering, attenuated total reflectance Fourier transform infrared spectroscopy, and X-ray photoelectron spectroscopy. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

Infrared properties of three plastic bonded explosive binders

DOE PAGES

Hoffman, D. Mark

2017-08-02

Here, three polymers are routinely used as binders for plastic bonded explosives by Lawrence Livermore National Laboratory, FK-800, Viton A 100, and Oxy 461. Attenuated total reflectance Fourier transform infrared measurements were performed on 10 different lots of FK-800, 5 different lots of Oxy 461, and 3 different lots of Viton A-100, one sample of Viton VTR 5883 and 2 Fluorel polymers of hexafluoropropene and vinylidene fluoride. The characteristic IR bands were measured. If possible, their vibrational modes were assigned based on literature data. Simple Mopac calculations were used to validate these vibrational mode assignments. Somewhat more sophisticated calculations weremore » run using Gaussian on the same structures.« less

Electroactive polymer actuator based on a reduced graphene electrode

NASA Astrophysics Data System (ADS)

Im, Ki Hong; Choi, Hyonkwang

2014-03-01

We report an electroactive polymer (EAP) actuator using a reduced graphene electrode for a ionic polymer-metal composite actuator. Aqueous-reduced graphene is deposited to both sides of the ionic polymer membranes by using a simple inkjet printing process. The electrical and the optical properties of the reduced graphene were evaluated by using a four-point probe system, Raman spectroscopy, and Fourier-transform infrared attenuated total reflection spectroscopy. The actuator properties were evaluated from the curvatures of the ionic polymer graphene composite (IPGC) for various input voltages. From the results, we propose a new and simple isosceles trapezoidal element model for analyzing the relations among the input voltage, thickness, and curvature of IPGC.

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

Corbey, Jordan F.; Rapko, Brian M.; Wang, Zheming

Abstract The crystal structures of americium species containing a common multi-functional phosphine oxide ligand, reported for its ability to extract f elements from acidic solutions, namely 2,6-[Ph2P(O)CH2]2C5H3-NO, L, have finally been determined after over three decades of separations studies involving these species and their surrogates. The molecular compounds Am(L)(NO3)3, Am 1:1, and [Am(L)2(NO3)][NO3]2, Am 2:1, along with their neodymium and europium analogs were synthesized and characterized using single-crystal X-ray crystallography, attenuated total reflectance Fourier transform infrared (ATR) spectroscopy and luminescence spectroscopy to provide a comprehensive comparison with new and known analogous complexes.

Vibrational structure of the polyunsaturated fatty acids eicosapentaenoic acid and arachidonic acid studied by infrared spectroscopy

NASA Astrophysics Data System (ADS)

Kiefer, Johannes; Noack, Kristina; Bartelmess, Juergen; Walter, Christian; Dörnenburg, Heike; Leipertz, Alfred

2010-02-01

The spectroscopic discrimination of the two structurally similar polyunsaturated C 20 fatty acids (PUFAs) 5,8,11,14,17-eicosapentaenoic acid and 5,8,11,14-eicosatetraenoic acid (arachidonic acid) is shown. For this purpose their vibrational structures are studied by means of attenuated total reflection (ATR) Fourier-transform infrared (FT-IR) spectroscopy. The fingerprint regions of the recorded spectra are found to be almost identical, while the C-H stretching mode regions around 3000 cm -1 show such significant differences as results of electronic and molecular structure alterations based on the different degree of saturation that both fatty acids can be clearly distinguished from each other.

Segment density profiles of polyelectrolyte brushes determined by Fourier transform ellipsometry

NASA Astrophysics Data System (ADS)

Biesalski, Markus; Rühe, Jürgen; Johannsmann, Diethelm

1999-10-01

We describe a method for the explicit determination of the segment density profile φ(z) of surface-attached polymer brushes with multiple angle of incidence null-ellipsometry. Because the refractive index contrast between the brush layer and the solvent is weak, multiple reflections are of minor influence and the ellipsometric spectrum is closely related to the Fourier transform of the refractive index profile, thereby allowing for explicit inversion of the ellipsometric data. We chose surface-attached monolayers of polymethacrylic acid (PMAA), a weak polyelectrolyte, as a model system and determined the segment density profile of this system as a function of the pH value of the surrounding medium by the Fourier method. Complementary to the Fourier analysis, fits with error functions are given as well. The brushes were prepared on the bases of high refractive index prisms with the "grafting-from" technique. In water, the brushes swell by more than a factor of 30. The swelling increases with increasing pH because of a growing fraction of dissociated acidic groups leading to a larger electrostatic repulsion.

Analysis and correction of ground reflection effects in measured narrowband sound spectra using cepstral techniques

NASA Technical Reports Server (NTRS)

Miles, J. H.; Stevens, G. H.; Leininger, G. G.

1975-01-01

Ground reflections generate undesirable effects on acoustic measurements such as those conducted outdoors for jet noise research, aircraft certification, and motor vehicle regulation. Cepstral techniques developed in speech processing are adapted to identify echo delay time and to correct for ground reflection effects. A sample result is presented using an actual narrowband sound pressure level spectrum. The technique can readily be adapted to existing fast Fourier transform type spectrum measurement instrumentation to provide field measurements/of echo time delays.

A Short Biography of Joseph Fourier and Historical Development of Fourier Series and Fourier Transforms

ERIC Educational Resources Information Center

Debnath, Lokenath

2012-01-01

This article deals with a brief biographical sketch of Joseph Fourier, his first celebrated work on analytical theory of heat, his first great discovery of Fourier series and Fourier transforms. Included is a historical development of Fourier series and Fourier transforms with their properties, importance and applications. Special emphasis is made…

Portable device for generation of ultra-pure water vapor feeds

NASA Astrophysics Data System (ADS)

Velin, P.; Stenman, U.; Skoglundh, M.; Carlsson, P.-A.

2017-11-01

A portable device for the generation of co-feeds of water vapor has been designed, constructed, and evaluated for flexible use as an add-on component to laboratory chemical reactors. The vapor is formed by catalytic oxidation of hydrogen, which benefits the formation of well-controlled minute concentrations of ultra-pure water. Analysis of the effluent stream by on-line mass spectrometry and Fourier transform infrared spectroscopy confirms that water vapor can be, with high precision, generated both rapidly and steadily over extended periods in the range of 100 ppm to 3 vol. % (limited by safety considerations) using a total flow of 100 to 1500 ml/min at normal temperature and pressure. Further, the device has been used complementary to a commercial water evaporator and mixing system to span water concentrations up to 12 vol. %. Finally, an operando diffuse reflective infrared Fourier transform spectroscopic measurement of palladium catalysed methane oxidation in the absence and presence of up to 1.0 vol. % water has been carried out to demonstrate the applicability of the device for co-feeding well-controlled low concentrations of water vapor to a common type of spectroscopic experiment. The possibilities of creating isotopically labeled water vapor as well as using tracer gases for dynamic experiments are discussed.

Portable device for generation of ultra-pure water vapor feeds.

PubMed

Velin, P; Stenman, U; Skoglundh, M; Carlsson, P-A

2017-11-01

A portable device for the generation of co-feeds of water vapor has been designed, constructed, and evaluated for flexible use as an add-on component to laboratory chemical reactors. The vapor is formed by catalytic oxidation of hydrogen, which benefits the formation of well-controlled minute concentrations of ultra-pure water. Analysis of the effluent stream by on-line mass spectrometry and Fourier transform infrared spectroscopy confirms that water vapor can be, with high precision, generated both rapidly and steadily over extended periods in the range of 100 ppm to 3 vol. % (limited by safety considerations) using a total flow of 100 to 1500 ml/min at normal temperature and pressure. Further, the device has been used complementary to a commercial water evaporator and mixing system to span water concentrations up to 12 vol. %. Finally, an operando diffuse reflective infrared Fourier transform spectroscopic measurement of palladium catalysed methane oxidation in the absence and presence of up to 1.0 vol. % water has been carried out to demonstrate the applicability of the device for co-feeding well-controlled low concentrations of water vapor to a common type of spectroscopic experiment. The possibilities of creating isotopically labeled water vapor as well as using tracer gases for dynamic experiments are discussed.

Fourier Transform Infrared Spectroscopy (FT-IR) and Simple Algorithm Analysis for Rapid and Non-Destructive Assessment of Developmental Cotton Fibers.

PubMed

Liu, Yongliang; Kim, Hee-Jin

2017-06-22

With cotton fiber growth or maturation, cellulose content in cotton fibers markedly increases. Traditional chemical methods have been developed to determine cellulose content, but it is time-consuming and labor-intensive, mostly owing to the slow hydrolysis process of fiber cellulose components. As one approach, the attenuated total reflection Fourier transform infrared (ATR FT-IR) spectroscopy technique has also been utilized to monitor cotton cellulose formation, by implementing various spectral interpretation strategies of both multivariate principal component analysis (PCA) and 1-, 2- or 3-band/-variable intensity or intensity ratios. The main objective of this study was to compare the correlations between cellulose content determined by chemical analysis and ATR FT-IR spectral indices acquired by the reported procedures, among developmental Texas Marker-1 (TM-1) and immature fiber ( im ) mutant cotton fibers. It was observed that the R value, CI IR , and the integrated intensity of the 895 cm -1 band exhibited strong and linear relationships with cellulose content. The results have demonstrated the suitability and utility of ATR FT-IR spectroscopy, combined with a simple algorithm analysis, in assessing cotton fiber cellulose content, maturity, and crystallinity in a manner which is rapid, routine, and non-destructive.

Servomechanism for Doppler shift compensation in optical correlator for synthetic aperture radar

NASA Technical Reports Server (NTRS)

Constaninides, N. J.; Bicknell, T. J. (Inventor)

1980-01-01

A method and apparatus for correcting Doppler shifts in synthetic aperture radar data is described. An optical correlator for synthetic aperture radar data has a means for directing a laser beam at a signal film having radar return pulse intensity information recorded on it. A resultant laser beam passes through a range telescope, an azimuth telescope, and a Fourier transform filter located between the range and azimuth telescopes, and forms an image for recording on an image film. A compensation means for Doppler shift in the radar return pulse intensity information includes a beam splitter for reflecting the modulated laser beam, after having passed through the Fourier transform filter, to a detection screen having two photodiodes mounted on it.

Advantages of infrared transflection micro spectroscopy and paraffin-embedded sample preparation for biological studies

NASA Astrophysics Data System (ADS)

Yao, Jie; Li, Qian; Zhou, Bo; Wang, Dan; Wu, Rie

2018-04-01

Fourier-Transform Infrared micro-spectroscopy is an excellent method for biological analyses. In this paper, series metal coating films on ITO glass were prepared by the electrochemical method and the different thicknesses of paraffin embedding rat's brain tissue on the substrates were studied by IR micro-spetroscopy in attenuated total reflection (ATR) mode and transflection mode respectively. The Co-Ni-Cu alloy coating film with low cost is good reflection substrates for the IR analysis. The infrared microscopic transflection mode needs not to touch the sample at all and can get the IR spectra with higher signal to noise ratios. The Paraffin-embedding method allows tissues to be stored for a long time for re-analysis to ensure the traceability of the sample. Also it isolates the sample from the metal and avoids the interaction of biological tissue with the metals. The best thickness of the tissues is 4 μm.

Two novel cocrystals of lamotrigine with isomeric bipyridines and in situ monitoring of the cocrystallization.

PubMed

Du, Shichao; Wang, Yan; Wu, Songgu; Yu, Bo; Shi, Peng; Bian, Lin; Zhang, Dejiang; Hou, Jie; Wang, Jingkang; Gong, Junbo

2017-12-15

Crystal engineering strategy was applied to develop new solid forms of lamotrigine. Two novel cocrystals of lamotrigine forming with 4,4'-bipyridine (2:1) and 2,2'-bipyridine cocrystal (1:1.5) were successfully obtained by neat grinding and liquid assisted grinding. The novel cocrystals were fully characterized and confirmed by X-ray diffraction, thermal and spectroscopic analysis. DXRxi Raman microscope was also used to identify the cocrystals. The factors such as solvent and the structure of coformers which influenced the cocrystal formation were discussed. Furthermore, the novel cocrystals were both obtained by slurry crystallization. Process analytical technologies including focused beam reflectance measurement and attenuated total reflectance Fourier Transform Infrared were applied to investigate the cocrystallization process and the mechanism. HPLC analysis showed that the dissolution rate and the solubility of the two novel cocrystals were both improved. Copyright © 2017 Elsevier B.V. All rights reserved.

A Discussion of the Discrete Fourier Transform Execution on a Typical Desktop PC

NASA Technical Reports Server (NTRS)

White, Michael J.

2006-01-01

This paper will discuss and compare the execution times of three examples of the Discrete Fourier Transform (DFT). The first two examples will demonstrate the direct implementation of the algorithm. In the first example, the Fourier coefficients are generated at the execution of the DFT. In the second example, the coefficients are generated prior to execution and the DFT coefficients are indexed at execution. The last example will demonstrate the Cooley- Tukey algorithm, better known as the Fast Fourier Transform. All examples were written in C executed on a PC using a Pentium 4 running at 1.7 Ghz. As a function of N, the total complex data size, the direct implementation DFT executes, as expected at order of N2 and the FFT executes at order of N log2 N. At N=16K, there is an increase in processing time beyond what is expected. This is not caused by implementation but is a consequence of the effect that machine architecture and memory hierarchy has on implementation. This paper will include a brief overview of digital signal processing, along with a discussion of contemporary work with discrete Fourier processing.

Generation of dark hollow beam by use of phase-only filtering

NASA Astrophysics Data System (ADS)

Liu, Zhengjun; Dai, Jingmin; Zhao, Xiaoyi; Sun, Xiaogang; Liu, Shutian; Ashfaq Ahmad, Muhammad

2009-11-01

A simple but effective scheme to generate dark hollow beams is proposed by use of phase-only filtering and optical Fourier transform. A Gaussian beam of fundamental mode is modulated by a pre-designed phase mask, which is a piecewise modification of an axicon lens, and followed by a Fourier transform to generate an ideal dark hollow beam at the focal plane. This method has an advantage that the total energy of the beam is conserved under paraxial approximation. Numerical calculations are provided to show the validity of the proposed scheme.

Extracting Micro-Doppler Radar Signatures from Rotating Targets Using Fourier-Bessel Transform and Time-Frequency Analysis

DTIC Science & Technology

2014-10-16

Time-Frequency analysis, Short-Time Fourier Transform, Wigner Ville Distribution, Fourier Bessel Transform, Fractional Fourier Transform. I...INTRODUCTION Most widely used time-frequency transforms are short-time Fourier Transform (STFT) and Wigner Ville distribution (WVD). In STFT, time and...frequency resolutions are limited by the size of window function used in calculating STFT. For mono-component signals, WVD gives the best time and frequency

Attenuated total internal reflection infrared microspectroscopic imaging using a large-radius germanium internal reflection element and a linear array detector.

PubMed

Patterson, Brian M; Havrilla, George J

2006-11-01

The number of techniques and instruments available for Fourier transform infrared (FT-IR) microspectroscopic imaging has grown significantly over the past few years. Attenuated total internal reflectance (ATR) FT-IR microspectroscopy reduces sample preparation time and has simplified the analysis of many difficult samples. FT-IR imaging has become a powerful analytical tool using either a focal plane array or a linear array detector, especially when coupled with a chemometric analysis package. The field of view of the ATR-IR microspectroscopic imaging area can be greatly increased from 300 x 300 microm to 2500 x 2500 microm using a larger internal reflection element of 12.5 mm radius instead of the typical 1.5 mm radius. This gives an area increase of 70x before aberrant effects become too great. Parameters evaluated include the change in penetration depth as a function of beam displacement, measurements of the active area, magnification factor, and change in spatial resolution over the imaging area. Drawbacks such as large file size will also be discussed. This technique has been successfully applied to the FT-IR imaging of polydimethylsiloxane foam cross-sections, latent human fingerprints, and a model inorganic mixture, which demonstrates the usefulness of the method for pharmaceuticals.

Imaging through ground-level turbulence by Fourier telescopy: Simulations and preliminary experiments

NASA Astrophysics Data System (ADS)

Randunu Pathirannehelage, Nishantha

Fourier telescopy imaging is a recently-developed imaging method that relies on active structured-light illumination of the object. Reflected/scattered light is measured by a large "light bucket" detector; processing of the detected signal yields the magnitude and phase of spatial frequency components of the object reflectance or transmittance function. An inverse Fourier transform results in the image. In 2012 a novel method, known as time-average Fourier telescopy (TAFT), was introduced by William T. Rhodes as a means for diffraction-limited imaging through ground-level atmospheric turbulence. This method, which can be applied to long horizontal-path terrestrial imaging, addresses a need that is not solved by the adaptive optics methods being used in astronomical imaging. Field-experiment verification of the TAFT concept requires instrumentation that is not available at Florida Atlantic University. The objective of this doctoral research program is thus to demonstrate, in the absence of full-scale experimentation, the feasibility of time-average Fourier telescopy through (a) the design, construction, and testing of small-scale laboratory instrumentation capable of exploring basic Fourier telescopy data-gathering operations, and (b) the development of MATLAB-based software capable of demonstrating the effect of kilometer-scale passage of laser beams through ground-level turbulence in a numerical simulation of TAFT.

Planar metasurface retroreflector

NASA Astrophysics Data System (ADS)

Arbabi, Amir; Arbabi, Ehsan; Horie, Yu; Kamali, Seyedeh Mahsa; Faraon, Andrei

2017-07-01

Metasurfaces are two-dimensional arrangements of subwavelength scatterers that control the propagation of optical waves. Here, we show that cascaded metasurfaces, each performing a predefined mathematical transformation, provide a new optical design framework that enables new functionalities not yet demonstrated with single metasurfaces. Specifically, we demonstrate that retroreflection can be achieved with two vertically stacked planar metasurfaces, the first performing a spatial Fourier transform and its inverse, and the second imparting a spatially varying momentum to the Fourier transform of the incident light. Using this concept, we fabricate and test a planar monolithic near-infrared retroreflector composed of two layers of silicon nanoposts, which reflects light along its incident direction with a normal incidence efficiency of 78% and a large half-power field of view of 60°. The metasurface retroreflector demonstrates the potential of cascaded metasurfaces for implementing novel high-performance components, and enables low-power and low-weight passive optical transmitters.

Attenuated Total Reflection Fourier Transform Infrared (ATR FT-IR) Spectroscopy as an Analytical Method to Investigate the Secondary Structure of a Model Protein Embedded in Solid Lipid Matrices.

PubMed

Zeeshan, Farrukh; Tabbassum, Misbah; Jorgensen, Lene; Medlicott, Natalie J

2018-02-01

Protein drugs may encounter conformational perturbations during the formulation processing of lipid-based solid dosage forms. In aqueous protein solutions, attenuated total reflection Fourier transform infrared (ATR FT-IR) spectroscopy can investigate these conformational changes following the subtraction of spectral interference of solvent with protein amide I bands. However, in solid dosage forms, the possible spectral contribution of lipid carriers to protein amide I band may be an obstacle to determine conformational alterations. The objective of this study was to develop an ATR FT-IR spectroscopic method for the analysis of protein secondary structure embedded in solid lipid matrices. Bovine serum albumin (BSA) was chosen as a model protein, while Precirol AT05 (glycerol palmitostearate, melting point 58 ℃) was employed as the model lipid matrix. Bovine serum albumin was incorporated into lipid using physical mixing, melting and mixing, or wet granulation mixing methods. Attenuated total reflection FT-IR spectroscopy and size exclusion chromatography (SEC) were performed for the analysis of BSA secondary structure and its dissolution in aqueous media, respectively. The results showed significant interference of Precirol ATO5 with BSA amide I band which was subtracted up to 90% w/w lipid content to analyze BSA secondary structure. In addition, ATR FT-IR spectroscopy also detected thermally denatured BSA solid alone and in the presence of lipid matrix indicating its suitability for the detection of denatured protein solids in lipid matrices. Despite being in the solid state, conformational changes occurred to BSA upon incorporation into solid lipid matrices. However, the extent of these conformational alterations was found to be dependent on the mixing method employed as indicated by area overlap calculations. For instance, the melting and mixing method imparted negligible effect on BSA secondary structure, whereas the wet granulation mixing method promoted more changes. Size exclusion chromatography analysis depicted the complete dissolution of BSA in the aqueous media employed in the wet granulation method. In conclusion, an ATR FT-IR spectroscopic method was successfully developed to investigate BSA secondary structure in solid lipid matrices following the subtraction of lipid spectral interference. The ATR FT-IR spectroscopy could further be applied to investigate the secondary structure perturbations of therapeutic proteins during their formulation development.

Influence of site and soil properties on the DRIFT spectra of northern cold-region soils

USDA-ARS?s Scientific Manuscript database

We investigated the influence of site characteristics and soil properties on the chemical composition of organic matter in soils collected from a latitudinal transect across Alaska through analysis of diffuse reflectance infrared Fourier transform mid infrared (MidIR) spectra of bulk soils. The stud...

Thermal stabilization of static single-mirror Fourier transform spectrometers

NASA Astrophysics Data System (ADS)

Schardt, Michael; Schwaller, Christian; Tremmel, Anton J.; Koch, Alexander W.

2017-05-01

Fourier transform spectroscopy has become a standard method for spectral analysis of infrared light. With this method, an interferogram is created by two beam interference which is subsequently Fourier-transformed. Most Fourier transform spectrometers used today provide the interferogram in the temporal domain. In contrast, static Fourier transform spectrometers generate interferograms in the spatial domain. One example of this type of spectrometer is the static single-mirror Fourier transform spectrometer which offers a high etendue in combination with a simple, miniaturized optics design. As no moving parts are required, it also features a high vibration resistance and high measurement rates. However, it is susceptible to temperature variations. In this paper, we therefore discuss the main sources for temperature-induced errors in static single-mirror Fourier transform spectrometers: changes in the refractive index of the optical components used, variations of the detector sensitivity, and thermal expansion of the housing. As these errors manifest themselves in temperature-dependent wavenumber shifts and intensity shifts, they prevent static single-mirror Fourier transform spectrometers from delivering long-term stable spectra. To eliminate these shifts, we additionally present a work concept for the thermal stabilization of the spectrometer. With this stabilization, static single-mirror Fourier transform spectrometers are made suitable for infrared process spectroscopy under harsh thermal environmental conditions. As the static single-mirror Fourier transform spectrometer uses the so-called source-doubling principle, many of the mentioned findings are transferable to other designs of static Fourier transform spectrometers based on the same principle.

Tooth-meshing-harmonic static-transmission-error amplitudes of helical gears

NASA Astrophysics Data System (ADS)

Mark, William D.

2018-01-01

The static transmission errors of meshing gear pairs arise from deviations of loaded tooth working surfaces from equispaced perfect involute surfaces. Such deviations consist of tooth-pair elastic deformations and geometric deviations (modifications) of tooth working surfaces. To a very good approximation, the static-transmission-error tooth-meshing-harmonic amplitudes of helical gears are herein expressed by superposition of Fourier transforms of the quantities: (1) the combination of tooth-pair elastic deformations and geometric tooth-pair modifications and (2) fractional mesh-stiffness fluctuations, each quantity (1) and (2) expressed as a function of involute "roll distance." Normalization of the total roll-distance single-tooth contact span to unity allows tooth-meshing-harmonic amplitudes to be computed for different shapes of the above-described quantities (1) and (2). Tooth-meshing harmonics p = 1, 2, … are shown to occur at Fourier-transform harmonic values of Qp, p = 1, 2, …, where Q is the actual (total) contact ratio, thereby verifying its importance in minimizing transmission-error tooth-meshing-harmonic amplitudes. Two individual shapes and two series of shapes of the quantities (1) and (2) are chosen to illustrate a wide variety of shapes. In most cases representative of helical gears, tooth-meshing-harmonic values p = 1, 2, … are shown to occur in Fourier-transform harmonic regions governed by discontinuities arising from tooth-pair-contact initiation and termination, thereby showing the importance of minimizing such discontinuities. Plots and analytical expressions for all such Fourier transforms are presented, thereby illustrating the effects of various types of tooth-working-surface modifications and tooth-pair stiffnesses on transmission-error generation.

The Fourier analysis of biological transients.

PubMed

Harris, C M

1998-08-31

With modern computing technology the digital implementation of the Fourier transform is widely available, mostly in the form of the fast Fourier transform (FFT). Although the FFT has become almost synonymous with the Fourier transform, it is a fast numerical technique for computing the discrete Fourier transform (DFT) of a finite sequence of sampled data. The DFT is not directly equivalent to the continuous Fourier transform of the underlying biological signal, which becomes important when analyzing biological transients. Although this distinction is well known by some, for many it leads to confusion in how to interpret the FFT of biological data, and in how to precondition data so as to yield a more accurate Fourier transform using the FFT. We review here the fundamentals of Fourier analysis with emphasis on the analysis of transient signals. As an example of a transient, we consider the human saccade to illustrate the pitfalls and advantages of various Fourier analyses.

Development of an ultra-compact mid-infrared attenuated total reflectance spectrophotometer

NASA Astrophysics Data System (ADS)

Kim, Dong Soo; Lee, Tae-Ro; Yoon, Gilwon

2014-07-01

Mid-infrared spectroscopy has been an important tool widely used for qualitative analysis in various fields. However, portable or personal use is size and cost prohibitive for either Fourier transform infrared or attenuated total reflectance (ATR) spectrophotometers. In this study, we developed an ultra-compact ATR spectrophotometer whose frequency band was 5.5-11.0 μm. We used miniature components, such as a light source fabricated by semiconductor technology, a linear variable filter, and a pyro-electric array detector. There were no moving parts. Optimal design based on two light sources, a zippered configuration of the array detector and ATR optics could produce absorption spectra that might be used for qualitative analysis. A microprocessor synchronized the pulsed light sources and detector, and all the signals were processed digitally. The size was 13.5×8.5×3.5 cm3 and the weight was 300 grams. Due to its low cost, our spectrophotometer can replace many online monitoring devices. Another application could be for a u-healthcare system installed in the bathroom or attached to a smartphone for monitoring substances in body fluids.

Speciation of individual mineral particles of micrometer size by the combined use of attenuated total reflectance-Fourier transform-infrared imaging and quantitative energy-dispersive electron probe X-ray microanalysis techniques.

PubMed

Jung, Hae-Jin; Malek, Md Abdul; Ryu, JiYeon; Kim, BoWha; Song, Young-Chul; Kim, HyeKyeong; Ro, Chul-Un

2010-07-15

Our previous work demonstrated for the first time the potential of the combined use of two techniques, attenuated total reflectance FT-IR (ATR-FT-IR) imaging and a quantitative energy-dispersive electron probe X-ray microanalysis, low-Z particle EPMA, for the characterization of individual aerosol particles. In this work, the speciation of mineral particles was performed on a single particle level for 24 mineral samples, including kaolinite, montmorillonite, vermiculite, talc, quartz, feldspar, calcite, gypsum, and apatite, by the combined use of ATR-FT-IR imaging and low-Z particle EPMA techniques. These two single particle analytical techniques provide complementary information, the ATR-FT-IR imaging on mineral types and low-Z particle EPMA on the morphology and elemental concentrations, on the same individual particles. This work demonstrates that the combined use of the two single particle analytical techniques can powerfully characterize externally heterogeneous mineral particle samples in detail and has great potential for the characterization of airborne mineral dust particles.

Fourier transform infra-red spectroscopy using an attenuated total reflection probe to distinguish between Japanese larch, pine and citrus plants in healthy and diseased states

NASA Astrophysics Data System (ADS)

Gandolfo, D. S.; Mortimer, H.; Woodhall, J. W.; Boonham, N.

2016-06-01

FTIR spectroscopy coupled with an Attenuated Total Reflection (ATR) sampling probe has been demonstrated as a technique for detecting disease in plants. Spectral differences were detected in Japanese Larch (Larix kaempferi) infected with Phytophthora ramorum at 3403 cm-1 and 1730 cm-1, from pine (Pinus spp.) infected with Bursaphelenchus xylophilus at 1070 cm-1, 1425 cm-1, 1621 cm-1 and 3403 cm-1 and from citrus (Citrus spp.) infected with 'Candidatus liberibacter' at 960 cm-1, 1087 cm-1, 1109 cm-1, 1154 cm-1, 1225 cm-1, 1385 cm-1, 1462 cm-1, 1707 cm-1, 2882 cm-1, 2982 cm-1 and 3650 cm-1. A spectral marker in healthy citrus has been identified as Pentanone but is absent from the diseased sample spectra. This agrees with recent work by Aksenov, 2014. Additionally, the spectral signature of Cutin was identified in the spectra of Pinus spp. and Citrus spp. and is consistent with work by Dubis, 1999 and Heredia-Guerrero, 2014.

Fourier transform magnitudes are unique pattern recognition templates.

PubMed

Gardenier, P H; McCallum, B C; Bates, R H

1986-01-01

Fourier transform magnitudes are commonly used in the generation of templates in pattern recognition applications. We report on recent advances in Fourier phase retrieval which are relevant to pattern recognition. We emphasise in particular that the intrinsic form of a finite, positive image is, in general, uniquely related to the magnitude of its Fourier transform. We state conditions under which the Fourier phase can be reconstructed from samples of the Fourier magnitude, and describe a method of achieving this. Computational examples of restoration of Fourier phase (and hence, by Fourier transformation, the intrinsic form of the image) from samples of the Fourier magnitude are also presented.

Reducing aberration effect of Fourier transform lens by modifying Fourier spectrum of diffractive optical element in beam shaping optical system.

PubMed

Zhang, Fang; Zhu, Jing; Song, Qiang; Yue, Weirui; Liu, Jingdan; Wang, Jian; Situ, Guohai; Huang, Huijie

2015-10-20

In general, Fourier transform lenses are considered as ideal in the design algorithms of diffractive optical elements (DOEs). However, the inherent aberrations of a real Fourier transform lens disturb the far field pattern. The difference between the generated pattern and the expected design will impact the system performance. Therefore, a method for modifying the Fourier spectrum of DOEs without introducing other optical elements to reduce the aberration effect of the Fourier transform lens is proposed. By applying this method, beam shaping performance is improved markedly for the optical system with a real Fourier transform lens. The experiments carried out with a commercial Fourier transform lens give evidence for this method. The method is capable of reducing the system complexity as well as improving its performance.

Fractional finite Fourier transform.

PubMed

Khare, Kedar; George, Nicholas

2004-07-01

We show that a fractional version of the finite Fourier transform may be defined by using prolate spheroidal wave functions of order zero. The transform is linear and additive in its index and asymptotically goes over to Namias's definition of the fractional Fourier transform. As a special case of this definition, it is shown that the finite Fourier transform may be inverted by using information over a finite range of frequencies in Fourier space, the inversion being sensitive to noise. Numerical illustrations for both forward (fractional) and inverse finite transforms are provided.

Topics In Chemical Instrumentation: Fourier Transformations for Chemists Part I. Introduction to the Fourier Transform.

ERIC Educational Resources Information Center

Glasser, L.

1987-01-01

This paper explores how Fourier Transform (FT) mimics spectral transformation, how this property can be exploited to advantage in spectroscopy, and how the FT can be used in data treatment. A table displays a number of important FT serial/spectral pairs related by Fourier Transformations. A bibliography and listing of computer software related to…

Fourier transform spectroscopy of the nu3 band of the N3 radical

NASA Technical Reports Server (NTRS)

Brazier, C. R.; Bernath, P. F.; Burkholder, James B.; Howard, Carleton J.

1988-01-01

The nu3 transitions of N3 radicals produced by HN3-Cl reactions in a multipass cell (effective path length 100 m) are investigated experimentally using a Fourier-transform spectrometer with maximum resolution 0.004/cm. A total of 176 rotation-vibration lines are listed in a table and used, in combination with published data on 240 optical lines (Douglas and Jones, 1965), to determine the nu3 molecular constants. The lower-than-expected value of the nu3 fundamental frequency (1644.6784/cm) is attributed to the vibronic interaction discussed by Kawaguchi et al. (1981).

Tribology study of reduced graphene oxide sheets on silicon substrate synthesized via covalent assembly.

PubMed

Ou, Junfei; Wang, Jinqing; Liu, Sheng; Mu, Bo; Ren, Junfang; Wang, Honggang; Yang, Shengrong

2010-10-19

Reduced graphene oxide (RGO) sheets were covalently assembled onto silicon wafers via a multistep route based on the chemical adsorption and thermal reduction of graphene oxide (GO). The formation and microstructure of RGO were analyzed by X-ray photoelectron spectroscopy (XPS), attenuated total reflectance Fourier transform infrared (ATR-FTIR) spectroscopy, Raman spectroscopy, and water contact angle (WCA) measurements. Characterization by atomic force microscopy (AFM) was performed to evaluate the morphology and microtribological behaviors of the samples. Macrotribological performance was tested on a ball-on-plate tribometer. Results show that the assembled RGO possesses good friction reduction and antiwear ability, properties ascribed to its intrinsic structure, that is, the covalent bonding to the substrate and self-lubricating property of RGO.

Preparation and characterizations of EGDE crosslinked chitosan electrospun membranes.

PubMed

Aqil, A; Tchemtchoua, V T; Colige, A; Atanasova, G; Poumay, Y; Jérôme, C

2015-01-01

Composite Crosslinked nanofibrous membranes of chitosan, ethylene glycol diglycidyl ether (EGDE) and polyethylene oxide was successfully prepared with bead free morphology via electrospinning technique followed by heat mediated chemical crosslinking. Architectural stability of nanofiber mat in aqueous medium was achieved by chemical crosslinking of only 1% EGDE, and tensile strength tests revealed that increasing EGDE content has considerably enhance the elastic modulus of nanofibers. The structure, morphology and mechanical properties of nanofibers were characterized by Attenuated Total Reflection-Fourier Transform Infrared spectroscopy (ATR-FTIR), scanning electron microscopy (SEM) and Instron machine, respectively. Skin fibroblasts and endothelial cells showed good attachment, proliferation and viability on crosslinked electrospun membranes. The results indicate a good biocompatibility and non-toxic nature of the resulted membrane.

Development of Noninvasive Blood Glucose Sensor Using the Infrared Spectroscopy

NASA Astrophysics Data System (ADS)

Fujita, Keiichi; Tamura, Kazuto; Kaneko, Wataru; Ishizawa, Hiroaki; Toba, Eiji

Recently, diabetics have been steadily increasing, because change of diet, lack of exercise, increase an alcoholic intake, and increase a stress. It is a very serious problem for us. About 23.6 millions of people in Japan approach the danger of diabetes. Therefore, it is necessary to get insulin injection. And they have to measure blood glucose again and again a day. So, they are burden too heavy. This paper describes a new noninvasive measurement of blood glucose based on optical sensing. This uses Fourier transform infrared spectroscopy of attenuated total reflection. Non-invasive measurement was carried out by using 3 methods. And standard error of prediction is about ±20mg/dl by 3 method. This paper also describes practical application of this method.

Rapid and quantitative detection of the microbial spoilage of meat by fourier transform infrared spectroscopy and machine learning.

PubMed

Ellis, David I; Broadhurst, David; Kell, Douglas B; Rowland, Jem J; Goodacre, Royston

2002-06-01

Fourier transform infrared (FT-IR) spectroscopy is a rapid, noninvasive technique with considerable potential for application in the food and related industries. We show here that this technique can be used directly on the surface of food to produce biochemically interpretable "fingerprints." Spoilage in meat is the result of decomposition and the formation of metabolites caused by the growth and enzymatic activity of microorganisms. FT-IR was exploited to measure biochemical changes within the meat substrate, enhancing and accelerating the detection of microbial spoilage. Chicken breasts were purchased from a national retailer, comminuted for 10 s, and left to spoil at room temperature for 24 h. Every hour, FT-IR measurements were taken directly from the meat surface using attenuated total reflectance, and the total viable counts were obtained by classical plating methods. Quantitative interpretation of FT-IR spectra was possible using partial least-squares regression and allowed accurate estimates of bacterial loads to be calculated directly from the meat surface in 60 s. Genetic programming was used to derive rules showing that at levels of 10(7) bacteria.g(-1) the main biochemical indicator of spoilage was the onset of proteolysis. Thus, using FT-IR we were able to acquire a metabolic snapshot and quantify, noninvasively, the microbial loads of food samples accurately and rapidly in 60 s, directly from the sample surface. We believe this approach will aid in the Hazard Analysis Critical Control Point process for the assessment of the microbiological safety of food at the production, processing, manufacturing, packaging, and storage levels.

Computationally efficient method for Fourier transform of highly chirped pulses for laser and parametric amplifier modeling.

PubMed

Andrianov, Alexey; Szabo, Aron; Sergeev, Alexander; Kim, Arkady; Chvykov, Vladimir; Kalashnikov, Mikhail

2016-11-14

We developed an improved approach to calculate the Fourier transform of signals with arbitrary large quadratic phase which can be efficiently implemented in numerical simulations utilizing Fast Fourier transform. The proposed algorithm significantly reduces the computational cost of Fourier transform of a highly chirped and stretched pulse by splitting it into two separate transforms of almost transform limited pulses, thereby reducing the required grid size roughly by a factor of the pulse stretching. The application of our improved Fourier transform algorithm in the split-step method for numerical modeling of CPA and OPCPA shows excellent agreement with standard algorithms.

In vitro studies of PBT Nonwoven Fabrics adsorbent for the removal of low density lipoprotein from hyperlipemia plasma

NASA Astrophysics Data System (ADS)

Cao, Ye; Wang, Hong; Yang, Chao; Zhong, Rui; Lei, Yu; Sun, Kang; Liu, Jiaxin

2011-06-01

Polyanion ligands such as acrylic acid (AA) and heparin were grafted on PBT Nonwoven Fabrics (PBTNF) to study their effect on the adsorption of low density lipoprotein (LDL). These modified PBTNFs were characterized by Horizontal Attenuated Total Reflectance Fourier Transform Infrared spectroscopy and X-ray Photoelectron spectroscopy. The blood compatibilities of the modified PBTNFs were examined using in vitro hemolysis rate (HR), platelet adhesion, total protein (TP) and activated partial thromboplastin time. The results showed that direct immobilized heparin could improve PBTNF-PAA's blood compatibility and decrease the adsorption capability of useful high density lipoprotein, but would possess so low bioactivity that could not further improve the absorption of LDL and TC. Since the PBTNF-PAA55-Heparin adsorbent had quite good adsorption selectivity for these proteins, it can be an excellent candidate for depletion of LDL with good blood compatibility.

Study of Surface Wettability Change of Unconsolidated Sand Using Diffuse Reflectance Infrared Fourier Transform Spectroscopy and Thermogravimetric Analysis.

PubMed

Gómora-Herrera, Diana; Navarrete Bolaños, Juan; Lijanova, Irina V; Olivares-Xometl, Octavio; Likhanova, Natalya V

2018-04-01

The effects exerted by the adsorption of vapors of a non-polar compound (deuterated benzene) and a polar compound (water) on the surface of Ottawa sand and a sample of reservoir sand (Channel), which was previously impregnated with silicon oil or two kinds of surfactants, (2-hydroxyethyl) trimethylammonium oleate (HETAO) and (2-hydroxyethyl)trimethylammonium azelate (HETAA), were studied by diffuse reflectance infrared Fourier transform spectroscopy (DRIFTS) and thermogravimetric analysis (TGA). The surface chemistry of the sandstone rocks was elucidated by X-ray photoelectron spectroscopy (XPS) and scanning electron microscopy (SEM) with energy dispersive X-ray spectroscopy (EDX). Terminal surface groups such as hydroxyls can strongly adsorb molecules that interact with these surface groups (surfactants), resulting in a wettability change. The wettability change effect suffered by the surface after treating it with surfactants was possible to be detected by the DRIFTS technique, wherein it was observed that the surface became more hydrophobic after being treated with silicon oil and HETAO; the surface became more hydrophilic after treating it with HETAA.

Non-invasive characterization of colorants by portable diffuse reflectance infrared Fourier transform (DRIFT) spectroscopy and chemometrics

NASA Astrophysics Data System (ADS)

Manfredi, Marcello; Barberis, Elettra; Aceto, Maurizio; Marengo, Emilio

2017-06-01

During the last years the need for non-invasive and non-destructive analytical methods brought to the development and application of new instrumentation and analytical methods for the in-situ analysis of cultural heritage objects. In this work we present the application of a portable diffuse reflectance infrared Fourier transform (DRIFT) method for the non-invasive characterization of colorants prepared according to ancient recipes and using egg white and Gum Arabic as binders. Approximately 50 colorants were analyzed with the DRIFT spectroscopy: we were able to identify and discriminate the most used yellow (i.e. yellow ochres, Lead-tin Yellow, Orpiment, etc.), red (i.e. red ochres, Hematite) and blue (i.e. Lapis Lazuli, Azurite, indigo) colorants, creating a complete DRIFT spectral library. The Principal Component Analysis-Discriminant Analysis (PCA-DA) was then employed for the colorants classification according to the chemical/mineralogical composition. The DRIFT analysis was also performed on a gouache painting of the artist Sutherland; and the colorants used by the painter were identified directly in-situ and in a non-invasive manner.

Application of Diffuse Reflectance FT-IR Spectroscopy for the Surface Study of Kevlar Fibers

NASA Astrophysics Data System (ADS)

Chatzi, E. G.; Ishida, H.; Koenig, J. L.

1985-12-01

The surfaces of Kevlar-49 aramid fibers, being used in high-performance composite materials, have been characterized by diffuse reflectance Fourier transform infrared (FT-IR) spectroscopy. Enhancement of the surface selectivity of the technique has been achieved using KBr overlayers. The water absorbed by both the skin and the core of the fibers has been characterized by using this technique and the accessibility of the fiber functional groups has been evaluated.

Diffuse Reflectance Mid-Infrared Spectroscopy as a Tool for the Identification of Surface Contamination on Sandblasted Metals

NASA Technical Reports Server (NTRS)

Powell, Louis G.; Barber, Tye E.; Neu, John T.; Nerren, Billy H.

1997-01-01

The SOC 400 Surface Inspection Machine/Infrared (SIMIR) is a small, ruggedized Fourier transform infrared spectrometer having dedicated diffuse reflectance optics. The SOC 400 was designed for the purpose of detecting (qualitatively and quantitatively) oil stains on the inside surface of solid rocket motor casings in the as-sandblasted and cleaned condition at levels approaching 1 mg. sq ft. The performance of this instrument is described using spectral mapping techniques.

Fourier transform-infrared spectroscopic methods for microbial ecology: analysis of bacteria, bacteria-polymer mixtures and biofilms

NASA Technical Reports Server (NTRS)

Nichols, P. D.; Henson, J. M.; Guckert, J. B.; Nivens, D. E.; White, D. C.

1985-01-01

Fourier transform-infrared (FT-IR) spectroscopy has been used to rapidly and nondestructively analyze bacteria, bacteria-polymer mixtures, digester samples and microbial biofilms. Diffuse reflectance FT-IR (DRIFT) analysis of freeze-dried, powdered samples offered a means of obtaining structural information. The bacteria examined were divided into two groups. The first group was characterized by a dominant amide I band and the second group of organisms displayed an additional strong carbonyl stretch at approximately 1740 cm-1. The differences illustrated by the subtraction spectra obtained for microbes of the two groups suggest that FT-IR spectroscopy can be utilized to recognize differences in microbial community structure. Calculation of specific band ratios has enabled the composition of bacteria and extracellular or intracellular storage product polymer mixtures to be determined for bacteria-gum arabic (amide I/carbohydrate C-O approximately 1150 cm-1) and bacteria-poly-beta-hydroxybutyrate (amide I/carbonyl approximately 1740 cm-1). The key band ratios correlate with the compositions of the material and provide useful information for the application of FT-IR spectroscopy to environmental biofilm samples and for distinguishing bacteria grown under differing nutrient conditions. DRIFT spectra have been obtained for biofilms produced by Vibrio natriegens on stainless steel disks. Between 48 and 144 h, an increase in bands at approximately 1440 and 1090 cm-1 was seen in FT-IR spectra of the V. natriegens biofilm. DRIFT spectra of mixed culture effluents of anaerobic digesters show differences induced by shifts in input feedstocks. The use of flow-through attenuated total reflectance has permitted in situ real-time changes in biofilm formation to be monitored and provides a powerful tool for understanding the interactions within adherent microbial consortia.

The fractional Fourier transform and applications

NASA Technical Reports Server (NTRS)

Bailey, David H.; Swarztrauber, Paul N.

1991-01-01

This paper describes the 'fractional Fourier transform', which admits computation by an algorithm that has complexity proportional to the fast Fourier transform algorithm. Whereas the discrete Fourier transform (DFT) is based on integral roots of unity e exp -2(pi)i/n, the fractional Fourier transform is based on fractional roots of unity e exp -2(pi)i(alpha), where alpha is arbitrary. The fractional Fourier transform and the corresponding fast algorithm are useful for such applications as computing DFTs of sequences with prime lengths, computing DFTs of sparse sequences, analyzing sequences with noninteger periodicities, performing high-resolution trigonometric interpolation, detecting lines in noisy images, and detecting signals with linearly drifting frequencies. In many cases, the resulting algorithms are faster by arbitrarily large factors than conventional techniques.

The τq-Fourier transform: Covariance and uniqueness

NASA Astrophysics Data System (ADS)

Kalogeropoulos, Nikolaos

2018-05-01

We propose an alternative definition for a Tsallis entropy composition-inspired Fourier transform, which we call “τq-Fourier transform”. We comment about the underlying “covariance” on the set of algebraic fields that motivates its introduction. We see that the definition of the τq-Fourier transform is automatically invertible in the proper context. Based on recent results in Fourier analysis, it turns that the τq-Fourier transform is essentially unique under the assumption of the exchange of the point-wise product of functions with their convolution.

Hypercomplex Fourier transforms of color images.

PubMed

Ell, Todd A; Sangwine, Stephen J

2007-01-01

Fourier transforms are a fundamental tool in signal and image processing, yet, until recently, there was no definition of a Fourier transform applicable to color images in a holistic manner. In this paper, hypercomplex numbers, specifically quaternions, are used to define a Fourier transform applicable to color images. The properties of the transform are developed, and it is shown that the transform may be computed using two standard complex fast Fourier transforms. The resulting spectrum is explained in terms of familiar phase and modulus concepts, and a new concept of hypercomplex axis. A method for visualizing the spectrum using color graphics is also presented. Finally, a convolution operational formula in the spectral domain is discussed.

FT-IR/ATR univariate and multivariate calibration models for in situ monitoring of sugars in complex microalgal culture media.

PubMed

Girard, Jean-Michel; Deschênes, Jean-Sébastien; Tremblay, Réjean; Gagnon, Jonathan

2013-09-01

The objective of this work is to develop a quick and simple method for the in situ monitoring of sugars in biological cultures. A new technology based on Attenuated Total Reflectance-Fourier Transform Infrared (FT-IR/ATR) spectroscopy in combination with an external light guiding fiber probe was tested, first to build predictive models from solutions of pure sugars, and secondly to use those models to monitor the sugars in the complex culture medium of mixotrophic microalgae. Quantification results from the univariate model were correlated with the total dissolved solids content (R(2)=0.74). A vector normalized multivariate model was used to proportionally quantify the different sugars present in the complex culture medium and showed a predictive accuracy of >90% for sugars representing >20% of the total. This method offers an alternative to conventional sugar monitoring assays and could be used at-line or on-line in commercial scale production systems. Copyright © 2013 Elsevier Ltd. All rights reserved.

Effect of selective growth media on the differentiation of Salmonella enterica serovars by Fourier-Transform Mid-Infrared Spectroscopy.

PubMed

Baldauf, Nathan A; Rodriguez-Romo, Luis A; Männig, Annegret; Yousef, Ahmed E; Rodriguez-Saona, Luis E

2007-01-01

Salmonella enterica serovars are prevalent foodborne pathogens responsible for high numbers of salmonellosis each year. Complex Fourier-transform infrared (FTIR) spectra offer unique biochemical fingerprints of bacteria with bands due to major cellular components. Growth media effects on discrimination of Salmonella serovars by FTIR spectroscopy were investigated and a novel sample preparation technique was developed. S. enterica strains from six serovars were grown on xylose lysine desoxycholate (XLD), Miller-Mallinson (MM), and plate count (PCA) agar as a control (37 degrees C, 24 h). Isolated colonies were suspended in 50% acetonitrile and centrifuged; the remaining pellet was placed on an AMTIR (attenuated total reflectance) crystal and dried under vacuum. Classification models (Soft Independent Modeling of Class Analogy, SIMCA), generated from derivatized infrared spectra (1300-900 cm-1 or 1200-900 cm-1), successfully discriminated among Salmonella strains with major discrimination from 1000-970 cm-1 associated to stretching modes of O-specific polysaccharide chains of lipopolysaccharides. Sample treatment with acetonitrile enhanced safe handling of the bacteria, removed interfering signals and improved the discriminating ability of SIMCA. All media were able to discriminate the S. enterica strains studied, varying in discriminating peaks and class distances in SIMCA classification. This methodology, with the production of large libraries of pathogenic bacteria, could be applied for the rapid monitoring of bacterial contamination in food with minimal sample manipulation.

A Fourier-Transform Infrared Study of Biochar Aging in Soils

PubMed Central

Singh, B.; Fang, Y.; Johnston, C.T.

2018-01-01

We used diffuse reflectance Fourier-transform infrared (DR-FTIR) spectroscopy, X-ray diffraction (XRD), and chemical and isotopic analyses to characterize the light fraction of four contrasting soils (control and biocharamended soils) to determine changes in biochar properties after aging. Two Eucalyptus saligna Sm. wood biochars, produced at 450°C (B450) and 550°C (B550), were incubated separately in each of the four soils for up to 12 mo at 20, 40, and 60°C. Total C and isotopic (δ13C) methods were used to quantify the amounts of biochar C and native C mineralized during incubation. The DR-FTIR spectra of the light fraction showed distinct absorption bands representing native soil organic C, biochar C, and mineral constituents present in the soils; the mineral bands were consistent with XRD data of the clay fraction of the four soils. Analysis of the DR-FTIR spectra in the ν(C–H) bands showed that the ratio of the aromatic ν(C–H) bands systematically increased relative to the aliphatic ν(C–H) bands with increasing mineralization of biochar C in the B550 amended soils, and this relationship was unique for each soil type. In contrast, this relationship was not observed for the B450 amended soils that contained a relatively smaller proportion of aromatic C. PMID:29657354

Analysis of Moisture Content in Beetroot using Fourier Transform Infrared Spectroscopy and by Principal Component Analysis.

PubMed

Nesakumar, Noel; Baskar, Chanthini; Kesavan, Srinivasan; Rayappan, John Bosco Balaguru; Alwarappan, Subbiah

2018-05-22

The moisture content of beetroot varies during long-term cold storage. In this work, we propose a strategy to identify the moisture content and age of beetroot using principal component analysis coupled Fourier transform infrared spectroscopy (FTIR). Frequent FTIR measurements were recorded directly from the beetroot sample surface over a period of 34 days for analysing its moisture content employing attenuated total reflectance in the spectral ranges of 2614-4000 and 1465-1853 cm -1 with a spectral resolution of 8 cm -1 . In order to estimate the transmittance peak height (T p ) and area under the transmittance curve [Formula: see text] over the spectral ranges of 2614-4000 and 1465-1853 cm -1 , Gaussian curve fitting algorithm was performed on FTIR data. Principal component and nonlinear regression analyses were utilized for FTIR data analysis. Score plot over the ranges of 2614-4000 and 1465-1853 cm -1 allowed beetroot quality discrimination. Beetroot quality predictive models were developed by employing biphasic dose response function. Validation experiment results confirmed that the accuracy of the beetroot quality predictive model reached 97.5%. This research work proves that FTIR spectroscopy in combination with principal component analysis and beetroot quality predictive models could serve as an effective tool for discriminating moisture content in fresh, half and completely spoiled stages of beetroot samples and for providing status alerts.

Improved full analytical polygon-based method using Fourier analysis of the three-dimensional affine transformation.

PubMed

Pan, Yijie; Wang, Yongtian; Liu, Juan; Li, Xin; Jia, Jia

2014-03-01

Previous research [Appl. Opt.52, A290 (2013)] has revealed that Fourier analysis of three-dimensional affine transformation theory can be used to improve the computation speed of the traditional polygon-based method. In this paper, we continue our research and propose an improved full analytical polygon-based method developed upon this theory. Vertex vectors of primitive and arbitrary triangles and the pseudo-inverse matrix were used to obtain an affine transformation matrix representing the spatial relationship between the two triangles. With this relationship and the primitive spectrum, we analytically obtained the spectrum of the arbitrary triangle. This algorithm discards low-level angular dependent computations. In order to add diffusive reflection to each arbitrary surface, we also propose a whole matrix computation approach that takes advantage of the affine transformation matrix and uses matrix multiplication to calculate shifting parameters of similar sub-polygons. The proposed method improves hologram computation speed for the conventional full analytical approach. Optical experimental results are demonstrated which prove that the proposed method can effectively reconstruct three-dimensional scenes.

Causal Correlation Functions and Fourier Transforms: Application in Calculating Pressure Induced Shifts

NASA Technical Reports Server (NTRS)

Ma, Q.; Tipping, R. H.; Lavrentieva, N. N.

2012-01-01

By adopting a concept from signal processing, instead of starting from the correlation functions which are even, one considers the causal correlation functions whose Fourier transforms become complex. Their real and imaginary parts multiplied by 2 are the Fourier transforms of the original correlations and the subsequent Hilbert transforms, respectively. Thus, by taking this step one can complete the two previously needed transforms. However, to obviate performing the Cauchy principal integrations required in the Hilbert transforms is the greatest advantage. Meanwhile, because the causal correlations are well-bounded within the time domain and band limited in the frequency domain, one can replace their Fourier transforms by the discrete Fourier transforms and the latter can be carried out with the FFT algorithm. This replacement is justified by sampling theory because the Fourier transforms can be derived from the discrete Fourier transforms with the Nyquis rate without any distortions. We apply this method in calculating pressure induced shifts of H2O lines and obtain more reliable values. By comparing the calculated shifts with those in HITRAN 2008 and by screening both of them with the pair identity and the smooth variation rules, one can conclude many of shift values in HITRAN are not correct.

The biocorrosion of copper by biopolymers as examined in situ, in real time FT-IR/CIR/ATR in conjunction with pre and post XPS/AES

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

Gianotto, A.K.; Wichlacz, P.L.; Jolley, J.G.

1989-01-01

Thin films of copper (2.0 nm on germanium internal reflection elements (IREs) and 3.4 nm on germanium discs) were exposed to 10% gum arabic (aqueous solution), 2% alginic acid (aqueous solution), 1% bacterial culture supernatant (BCS, simulated seawater solution) and 0.5% Pseudomonas atlantica exopolymer (simulated seawater solution). The IREs were monitored in situ, in real time using fourier transform infrared/cylindrical internal reflection/attenuated total reflection spectroscopy as a function of time at ambient conditions. The discs were characterized (pre- and post-exposure) by x-ray photoelectron and Auger electron spectroscopies. Ancillary graphite furnace atomic absorption spectroscopy was used to monitor the removal processmore » of the copper thin film from the germanium substrates. Results indicate that Cu was oxidized by gum arabic, alginic acid and BCS. Furthermore, Cu was removed from the Cu/Ge interface by all four polymers. The Cu was found associated with the polymer solutions. 20 refs., 6 figs., 1 tab.« less

[Study on predicting sugar content and valid acidity of apples by near infrared diffuse reflectance technique].

PubMed

Liu, Yan-de; Ying, Yi-bin; Fu, Xia-ping

2005-11-01

The nondestructive method for quantifying sugar content (SC) and available acid (VA) of intact apples using diffuse near infrared reflectance and optical fiber sensing techniques were explored in the present research. The standard sample sets and prediction models were established by partial least squares analysis (PLS). A total of 120 Shandong Fuji apples were tested in the wave number of 12,500 - 4000 cm(-1) using Fourier transform near infrared spectroscopy. The results of the research indicated that the nondestructive quantification of SC and VA, gave a high correlation coefficient 0.970 and 0.906, a low root mean square error of prediction (RMSEP) 0.272 and 0.056 2, a low root mean square error of calibration (RMSEC) 0.261 and 0.0677, and a small difference between RMSEP and RMSEC 0.011 a nd 0.0115. It was suggested that the diffuse nearinfrared reflectance technique be feasible for nondestructive determination of apple sugar content in the wave number range of 10,341 - 5461 cm(-1) and for available acid in the wave number range of 10,341 - 3818 cm(-1).

PASSIVELY ESTIMATING INDEX OF REFRACTION FOR SPECULAR REFLECTORS USING POLARIMETRIC HYPERSPECTRAL IMAGING

DTIC Science & Technology

2016-12-22

23 6 Band-averaged radiance image with checkerboard is shown in the upper left. The 2-D Fourier transform of the image is...red is 1) that is multiplied by the Fourier transform of the original image. The inverse Fourier transform is then taken to get the final image with...Polarization . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 15 IFTS Imaging Fourier Transform Spectrometer

Two-dimensional auto-correlation analysis and Fourier-transform analysis of second-harmonic-generation image for quantitative analysis of collagen fiber in human facial skin

NASA Astrophysics Data System (ADS)

Ogura, Yuki; Tanaka, Yuji; Hase, Eiji; Yamashita, Toyonobu; Yasui, Takeshi

2018-02-01

We compare two-dimensional auto-correlation (2D-AC) analysis and two-dimensional Fourier transform (2D-FT) for evaluation of age-dependent structural change of facial dermal collagen fibers caused by intrinsic aging and extrinsic photo-aging. The age-dependent structural change of collagen fibers for female subjects' cheek skin in their 20s, 40s, and 60s were more noticeably reflected in 2D-AC analysis than in 2D-FT analysis. Furthermore, 2D-AC analysis indicated significantly higher correlation with the skin elasticity measured by Cutometer® than 2D-AC analysis. 2D-AC analysis of SHG image has a high potential for quantitative evaluation of not only age-dependent structural change of collagen fibers but also skin elasticity.

The Simulation Realization of Pavement Roughness in the Time Domain

NASA Astrophysics Data System (ADS)

XU, H. L.; He, L.; An, D.

2017-10-01

As the needs for the dynamic study on the vehicle-pavement system and the simulated vibration table test, how to simulate the pavement roughness actually is important guarantee for whether calculation and test can reflect the actual situation or not. Using the power spectral density function, the simulation of pavement roughness can be realized by Fourier inverse transform. The main idea of this method was that the spectrum amplitude and random phase were obtained separately according to the power spectrum, and then the simulation of pavement roughness was obtained in the time domain through the Fourier inverse transform (IFFT). In the process, the sampling interval (Δl) was 0.1m, and the sampling points(N) was 4096, which satisfied the accuracy requirements. Using this method, the simulate results of pavement roughness (A~H grades) were obtain in the time domain.

On the electromagnetic scattering from infinite rectangular grids with finite conductivity

NASA Technical Reports Server (NTRS)

Christodoulou, C. G.; Kauffman, J. F.

1986-01-01

A variety of methods can be used in constructing solutions to the problem of mesh scattering. However, each of these methods has certain drawbacks. The present paper is concerned with a new technique which is valid for all spacings. The new method involved, called the fast Fourier transform-conjugate gradient method (FFT-CGM), represents an iterative technique which employs the conjugate gradient method to improve upon each iterate, utilizing the fast Fourier transform. The FFT-CGM method provides a new accurate model which can be extended and applied to the more difficult problems of woven mesh surfaces. The formulation of the FFT-conjugate gradient method for aperture fields and current densities for a planar periodic structure is considered along with singular operators, the formulation of the FFT-CG method for thin wires with finite conductivity, and reflection coefficients.

New Substrate-Guided Method of Predicting Slow Conducting Isthmuses of Ventricular Tachycardia: Preliminary Analysis to the Combined Use of Voltage Limit Adjustment and Fast-Fourier Transform Analysis.

PubMed

Kuroki, Kenji; Nogami, Akihiko; Igarashi, Miyako; Masuda, Keita; Kowase, Shinya; Kurosaki, Kenji; Komatsu, Yuki; Naruse, Yoshihisa; Machino, Takeshi; Yamasaki, Hiro; Xu, Dongzhu; Murakoshi, Nobuyuki; Sekiguchi, Yukio; Aonuma, Kazutaka

2018-04-01

Several conducting channels of ventricular tachycardia (VT) can be identified using voltage limit adjustment (VLA) of substrate mapping. However, the sensitivity or specificity to predict a VT isthmus is not high by using VLA alone. This study aimed to evaluate the efficacy of the combined use of VLA and fast-Fourier transform analysis to predict VT isthmuses. VLA and fast-Fourier transform analyses of local ventricular bipolar electrograms during sinus rhythm were performed in 9 postinfarction patients who underwent catheter ablation for a total of 13 monomorphic VTs. Relatively higher voltage areas on an electroanatomical map were defined as high voltage channels (HVCs), and relatively higher fast-Fourier transform areas were defined as high-frequency channels (HFCs). HVCs were classified into full or partial HVCs (the entire or >30% of HVC can be detectable, respectively). Twelve full HVCs were identified in 7 of 9 patients. HFCs were located on 7 of 12 full HVCs. Five VT isthmuses (71%) were included in the 7 full HVC+/HFC+ sites, whereas no VT isthmus was found in the 5 full HVC+/HFC- sites. HFCs were identical to 9 of 16 partial HVCs. Eight VT isthmuses (89%) were included in the 9 partial HVC+/HFC+ sites, whereas no VT isthmus was found in the 7 partial HVC+/HFC- sites. All HVC+/HFC+ sites predicted VT isthmus with a sensitivity of 100% and a specificity of 80%. Combined use of VLA and fast-Fourier transform analysis may be a useful method to detect VT isthmuses. © 2018 American Heart Association, Inc.

Fourier Transforms Simplified: Computing an Infrared Spectrum from an Interferogram

ERIC Educational Resources Information Center

Hanley, Quentin S.

2012-01-01

Fourier transforms are used widely in chemistry and allied sciences. Examples include infrared, nuclear magnetic resonance, and mass spectroscopies. A thorough understanding of Fourier methods assists the understanding of microscopy, X-ray diffraction, and diffraction gratings. The theory of Fourier transforms has been presented in this "Journal",…

Molecular recognition in gas sensing: Results from acoustic wave and in-situ FTIR measurements

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

Hierlemann, A.; Ricco, A.J.; Bodenhoefer, K.

Surface acoustic wave (SAW) measurements were combined with direct, in-situ molecular spectroscopy to understand the interactions of surface-confined sensing films with gas-phase analytes. This was accomplished by collecting Fourier-transform infrared external-reflectance spectra (FTIR-ERS) on operating SAW devices during dosing of their specifically coated surfaces with key analytes.

A fast algorithm for vertex-frequency representations of signals on graphs

PubMed Central

Jestrović, Iva; Coyle, James L.; Sejdić, Ervin

2016-01-01

The windowed Fourier transform (short time Fourier transform) and the S-transform are widely used signal processing tools for extracting frequency information from non-stationary signals. Previously, the windowed Fourier transform had been adopted for signals on graphs and has been shown to be very useful for extracting vertex-frequency information from graphs. However, high computational complexity makes these algorithms impractical. We sought to develop a fast windowed graph Fourier transform and a fast graph S-transform requiring significantly shorter computation time. The proposed schemes have been tested with synthetic test graph signals and real graph signals derived from electroencephalography recordings made during swallowing. The results showed that the proposed schemes provide significantly lower computation time in comparison with the standard windowed graph Fourier transform and the fast graph S-transform. Also, the results showed that noise has no effect on the results of the algorithm for the fast windowed graph Fourier transform or on the graph S-transform. Finally, we showed that graphs can be reconstructed from the vertex-frequency representations obtained with the proposed algorithms. PMID:28479645

Simulation of the modulation transfer function dependent on the partial Fourier fraction in dynamic contrast enhancement magnetic resonance imaging.

PubMed

Takatsu, Yasuo; Ueyama, Tsuyoshi; Miyati, Tosiaki; Yamamura, Kenichirou

2016-12-01

The image characteristics in dynamic contrast-enhanced magnetic resonance imaging (DCE-MRI) depend on the partial Fourier fraction and contrast medium concentration. These characteristics were assessed and the modulation transfer function (MTF) was calculated by computer simulation. A digital phantom was created from signal intensity data acquired at different contrast medium concentrations on a breast model. The frequency images [created by fast Fourier transform (FFT)] were divided into 512 parts and rearranged to form a new image. The inverse FFT of this image yielded the MTF. From the reference data, three linear models (low, medium, and high) and three exponential models (slow, medium, and rapid) of the signal intensity were created. Smaller partial Fourier fractions, and higher gradients in the linear models, corresponded to faster MTF decline. The MTF more gradually decreased in the exponential models than in the linear models. The MTF, which reflects the image characteristics in DCE-MRI, was more degraded as the partial Fourier fraction decreased.

Missing texture reconstruction method based on error reduction algorithm using Fourier transform magnitude estimation scheme.

PubMed

Ogawa, Takahiro; Haseyama, Miki

2013-03-01

A missing texture reconstruction method based on an error reduction (ER) algorithm, including a novel estimation scheme of Fourier transform magnitudes is presented in this brief. In our method, Fourier transform magnitude is estimated for a target patch including missing areas, and the missing intensities are estimated by retrieving its phase based on the ER algorithm. Specifically, by monitoring errors converged in the ER algorithm, known patches whose Fourier transform magnitudes are similar to that of the target patch are selected from the target image. In the second approach, the Fourier transform magnitude of the target patch is estimated from those of the selected known patches and their corresponding errors. Consequently, by using the ER algorithm, we can estimate both the Fourier transform magnitudes and phases to reconstruct the missing areas.

Perturbation of the Secondary Structure of the Scrapie Prion Protein Under Conditions that Alter Infectivity

NASA Astrophysics Data System (ADS)

Gasset, Maria; Baldwin, Michael A.; Fletterick, Robert J.; Prusiner, Stanley B.

1993-01-01

Limited proteolysis of the scrapie prion protein (PrPSc) generates PrP 27-30, which polymerizes into amyloid. By attenuated total reflection-Fourier transform infrared spectroscopy, PrP 27-30 polymers contained 54% β-sheet, 25% α-helix, 10% turns, and 11% random coil; dispersion into detergent-lipid-protein-complexes preserved infectivity and secondary structure. Almost 60% of the β-sheet was low-frequency infrared-absorbing, reflecting intermolecular aggregation. Decreased low-frequency β-sheet and increased turn content were found after SDS/PAGE, which disassembled the amyloid polymers, denatured PrP 27-30, and diminished scrapie infectivity. Acid-induced transitions were reversible, whereas alkali produced an irreversible transition centered at pH 10 under conditions that diminished infectivity. Whether PrPSc synthesis involves a transition in the secondary structure of one or more domains of the cellular prion protein from α-helical, random coil, or turn into β-sheet remains to be established.

Infrared spectroscopy and spectroscopic imaging in forensic science.

PubMed

Ewing, Andrew V; Kazarian, Sergei G

2017-01-16

Infrared spectroscopy and spectroscopic imaging, are robust, label free and inherently non-destructive methods with a high chemical specificity and sensitivity that are frequently employed in forensic science research and practices. This review aims to discuss the applications and recent developments of these methodologies in this field. Furthermore, the use of recently emerged Fourier transform infrared (FT-IR) spectroscopic imaging in transmission, external reflection and Attenuated Total Reflection (ATR) modes are summarised with relevance and potential for forensic science applications. This spectroscopic imaging approach provides the opportunity to obtain the chemical composition of fingermarks and information about possible contaminants deposited at a crime scene. Research that demonstrates the great potential of these techniques for analysis of fingerprint residues, explosive materials and counterfeit drugs will be reviewed. The implications of this research for the examination of different materials are considered, along with an outlook of possible future research avenues for the application of vibrational spectroscopic methods to the analysis of forensic samples.

Applications of Quantum Cascade Laser Spectroscopy in the Analysis of Pharmaceutical Formulations.

PubMed

Galán-Freyle, Nataly J; Pacheco-Londoño, Leonardo C; Román-Ospino, Andrés D; Hernandez-Rivera, Samuel P

2016-09-01

Quantum cascade laser spectroscopy was used to quantify active pharmaceutical ingredient content in a model formulation. The analyses were conducted in non-contact mode by mid-infrared diffuse reflectance. Measurements were carried out at a distance of 15 cm, covering the spectral range 1000-1600 cm(-1) Calibrations were generated by applying multivariate analysis using partial least squares models. Among the figures of merit of the proposed methodology are the high analytical sensitivity equivalent to 0.05% active pharmaceutical ingredient in the formulation, high repeatability (2.7%), high reproducibility (5.4%), and low limit of detection (1%). The relatively high power of the quantum-cascade-laser-based spectroscopic system resulted in the design of detection and quantification methodologies for pharmaceutical applications with high accuracy and precision that are comparable to those of methodologies based on near-infrared spectroscopy, attenuated total reflection mid-infrared Fourier transform infrared spectroscopy, and Raman spectroscopy. © The Author(s) 2016.

In Situ Infrared Spectroscopy of Oligoaniline Intermediates Created under Alkaline Conditions.

PubMed

Šeděnková, Ivana; Stejskal, Jaroslav; Trchová, Miroslava

2014-12-26

The progress of the oxidation of aniline with ammonium peroxydisulfate in an alkaline aqueous medium has been monitored in situ by attenuated total reflection (ATR) Fourier transform infrared spectroscopy. The growth of the microspheres and of the film at the ATR crystal surface, as well as the changes proceeding in the surrounding aqueous medium, are reflected in the spectra. The evolution of the spectra and the changes in the molecular structure occurring during aniline oxidation in alkaline medium are discussed with the help of differential spectra. Several processes connected with the various stages of aniline oxidation were distinguished. The progress of hydrolysis of the aniline in water and further an oxidation of aminophenol to benzoquinone imines in the presence of peroxydisulfate in alkaline medium have been detected in the spectra in real time. The precipitated solid oxidation product was analyzed by mass spectrometry. It is composed of oligomers, mainly trimers to octamers, of various molecular structures incorporating in addition to aniline constitutional units also p-benzoquinone or p-benzoquinoneimine moieties.

(abstract) Topographic Signatures in Geology

NASA Technical Reports Server (NTRS)

Farr, Tom G.; Evans, Diane L.

1996-01-01

Topographic information is required for many Earth Science investigations. For example, topography is an important element in regional and global geomorphic studies because it reflects the interplay between the climate-driven processes of erosion and the tectonic processes of uplift. A number of techniques have been developed to analyze digital topographic data, including Fourier texture analysis. A Fourier transform of the topography of an area allows the spatial frequency content of the topography to be analyzed. Band-pass filtering of the transform produces images representing the amplitude of different spatial wavelengths. These are then used in a multi-band classification to map units based on their spatial frequency content. The results using a radar image instead of digital topography showed good correspondence to a geologic map, however brightness variations in the image unrelated to topography caused errors. An additional benefit to the use of Fourier band-pass images for the classification is that the textural signatures of the units are quantative measures of the spatial characteristics of the units that may be used to map similar units in similar environments.

The Fourier transforms for the spatially homogeneous Boltzmann equation and Landau equation

NASA Astrophysics Data System (ADS)

Meng, Fei; Liu, Fang

2018-03-01

In this paper, we study the Fourier transforms for two equations arising in the kinetic theory. The first equation is the spatially homogeneous Boltzmann equation. The Fourier transform of the spatially homogeneous Boltzmann equation has been first addressed by Bobylev (Sov Sci Rev C Math Phys 7:111-233, 1988) in the Maxwellian case. Alexandre et al. (Arch Ration Mech Anal 152(4):327-355, 2000) investigated the Fourier transform of the gain operator for the Boltzmann operator in the cut-off case. Recently, the Fourier transform of the Boltzmann equation is extended to hard or soft potential with cut-off by Kirsch and Rjasanow (J Stat Phys 129:483-492, 2007). We shall first establish the relation between the results in Alexandre et al. (2000) and Kirsch and Rjasanow (2007) for the Fourier transform of the Boltzmann operator in the cut-off case. Then we give the Fourier transform of the spatially homogeneous Boltzmann equation in the non cut-off case. It is shown that our results cover previous works (Bobylev 1988; Kirsch and Rjasanow 2007). The second equation is the spatially homogeneous Landau equation, which can be obtained as a limit of the Boltzmann equation when grazing collisions prevail. Following the method in Kirsch and Rjasanow (2007), we can also derive the Fourier transform for Landau equation.

Effect of epoxidation on 30% poly(methyl methacrylate)-grafted natural rubber polymer electrolytes

NASA Astrophysics Data System (ADS)

Nazir, Khuzaimah; Aziz, Ahmad Fairoz; Adam, Nurul Ilham; Yahya, Muhd Zu Azhan; Ali, Ab Malik Marwan

2015-08-01

Epoxidized 30% poly(methyl methacrylate)-grafted natural rubber (EMG 30) as a polymer host in solid polymer electrolytes (SPEs) has been investigated. EMG30 was synthesized via performicepoxidation method onto 30% poly(methyl methacrylate)-grafted natural rubber (MG30) and the formations of epoxy group were discussed. The EMG30 were characterized by proton nuclear magnetic resonance (1HNMR) to investigate their chemical structure and differential scanning calorimeter to determine their crystallinity. A new peak in 1HNMR spectra (2.71 ppm) confirmed the appearance of epoxy group. SPE based on EMG30 doped with 40 wt% LiCF3SO3 show the highest conductivity. The complexation between EMG30 and LiCF3SO3 were confirmed by attenuated total reflection Fourier transform infrared (ATR-FTIR).

Fabrication of anticoagulation layer on titanium surface by sequential immobilization of poly (ethylene glycol) and albumin.

PubMed

Pan, Chang-Jiang; Hou, Yan-Hua; Zhang, Bin-Bin; Zhang, Lin-Cai

2014-01-01

This paper presents a simple method to sequentially immobilize poly (ethylene glycol) (PEG) and albumin on titanium surface to enhance the blood compatibility. Attenuated total reflectance Fourier transform infrared spectroscopy (ATR-FTIR) analysis indicated that PEG and albumin were successfully immobilized on the titanium surface. Water contact angle results showed a better hydrophilic surface after the immobilization. The immobilized PEG or albumin can not only obviously prevent platelet adhesion and activation but also prolong activated partial thromboplastin time (APTT), leading to the improved anticoagulation. Moreover, immobilization of albumin on PEG-modified surface can further improve the anticoagulation. The approach in the present study provides an effective and efficient method to improve the anticoagulation of blood-contact biomedical devices such as coronary stents.

Surface damage studies of ETFE polymer bombarded with low energy Si ions (⩽100 keV)

NASA Astrophysics Data System (ADS)

Minamisawa, Renato Amaral; Almeida, Adelaide De; Budak, Satilmis; Abidzina, Volha; Ila, Daryush

2007-08-01

Surface studies of ethylenetetrafluoroethylene (ETFE), bombarded with Si in a high-energy tandem Pelletron accelerator, have recently been reported. Si ion bombardment with a few MeV to a few hundred keV energies was shown to be sufficient to produce damage on ETFE film. We report here the use of a low energy implanter with Si ion energies lower than 100 keV, to induce changes on ETFE films. In order to determine the radiation damage, ETFE bombarded films were simulated with SRIM software and analyzed with optical absorption photometry (OAP), Raman and Fourier transform infrared-attenuated total reflectance (FTIR-ATR) spectroscopy to show quantitatively the physical and chemical property changes. Carbonization occurs following higher dose implantation, and hydroperoxides were formed following dehydroflorination of the polymer.

Host-guest inclusion system of ferulic acid with p-Sulfonatocalix[n]arenes: Preparation, characterization and antioxidant activity

NASA Astrophysics Data System (ADS)

Chao, Jianbin; Wang, Huijuan; Song, Kailun; Wang, Yongzhao; Zuo, Ying; Zhang, Liwei; Zhang, Bingtai

2017-02-01

The inclusion complexes of ferulic acid (FA) with p-Sulfonatocalix[n]arenes (SCXn, n = 4, 6, 8) were prepared and characterized both in the solid state and in solution using fluorescence spectroscopy, 1H nuclear magnetic resonance (1H NMR), attenuated total reflectance-fourier transform infrared spectroscopy (ATR-FTIR), atomic force microscopy (AFM) and differential scanning calorimetry (DSC). The results show that FA is able to form inclusion complexes with SCXn in a molar ratio of 1:1, causing a significant decrease in the fluorescence intensity of FA. The association constant of the inclusion complexes was calculated from the fluorescence titration data. 1H NMR spectroscopy analysis demonstrates that the aromatic ring and methoxy group of FA are partially covered by SCXn.

Synthesis and characterization of polyurethane-cellulose acetate blend membrane for chromium (VI) removal.

PubMed

Riaz, Tabinda; Ahmad, Adnan; Saleemi, Sidra; Adrees, Muhammad; Jamshed, Fahad; Hai, Abdul Moqeet; Jamil, Tahir

2016-11-20

Blended membranes of polyurethane and cellulose acetate were prepared, characterized and investigated for their performance. Various ratios of cellulose acetate were employed to prepare four different blend membranes. The characteristics of both pure and blend membranes were investigated and results were compared to distinguish their properties. Functional group analysis was carried out by attenuated total reflectance Fourier transform infrared spectroscopy (ATR-FTIR) of pure and blend samples. Contact angle measurement and water content were evaluated to determine the membrane hydrophilicity. Moreover, the membrane morphology was studied by scanning electron microscopy (SEM). The membrane permeation properties and ability to reject chromium (VI) ions were tested at various pH and pressure by utilizing different salt concentrations. Copyright © 2016 Elsevier Ltd. All rights reserved.

Precise and fast spatial-frequency analysis using the iterative local Fourier transform.

PubMed

Lee, Sukmock; Choi, Heejoo; Kim, Dae Wook

2016-09-19

The use of the discrete Fourier transform has decreased since the introduction of the fast Fourier transform (fFT), which is a numerically efficient computing process. This paper presents the iterative local Fourier transform (ilFT), a set of new processing algorithms that iteratively apply the discrete Fourier transform within a local and optimal frequency domain. The new technique achieves 2¹⁰ times higher frequency resolution than the fFT within a comparable computation time. The method's superb computing efficiency, high resolution, spectrum zoom-in capability, and overall performance are evaluated and compared to other advanced high-resolution Fourier transform techniques, such as the fFT combined with several fitting methods. The effectiveness of the ilFT is demonstrated through the data analysis of a set of Talbot self-images (1280 × 1024 pixels) obtained with an experimental setup using grating in a diverging beam produced by a coherent point source.

The effect of benzalkonium chloride additions to AH Plus sealer. Antimicrobial, physical and chemical properties.

PubMed

Arias-Moliz, M T; Ruiz-Linares, M; Cassar, G; Ferrer-Luque, C M; Baca, P; Ordinola-Zapata, R; Camilleri, J

2015-07-01

The aim of this study was to determine the antimicrobial and antibiofilm activities and physicochemical properties of AH Plus sealer mixed with different concentrations of benzalkonium chloride (BC). AH Plus was tested alone and mixed with 1%, 2% and 3% of BC. The antimicrobial and antibiofilm activities of the sealers against Enterococcus faecalis were evaluated by the direct contact test (DCT) and by confocal laser scanning microscopy, respectively. Setting time, flow and solubility were assessed according to ANSI/ADA specifications. Microhardness and contact angle tests were also performed. The chemical changes of the sealers were evaluated by X-ray diffraction analysis, and both Fourier transform infrared spectroscopy (FT-IR) and attenuated total reflectance Fourier transform infrared (ATR FT-IR). AH Plus+3% BC was the only sealer to promote total elimination of E. faecalis and the biovolume in this group was significantly lower than in the rest of the sealers (p>0.05). The physical properties of the sealers were according to the ANSI/ADA specifications. The microhardness decreased significantly when BC was added and a significant reduction in contact angle was obtained when incorporating 2% and 3% BC (p<0.05). No phase changes were observed with the modified sealers. The addition of 2% or higher concentrations BC to AH Plus showed antimicrobial and antibiofilm activities without affecting the properties specified in ANSI/ADA standards. However, additives to the root canal sealer altered other physical and chemical properties that are not commonly found in the literature to evaluate filling materials. The present study highlights that the antimicrobial properties of AH Plus can be significantly improved with the addition of BC. Testing beyond what is specified in standards may be indicated. Copyright © 2015 Elsevier Ltd. All rights reserved.

Properties of the Magnitude Terms of Orthogonal Scaling Functions.

PubMed

Tay, Peter C; Havlicek, Joseph P; Acton, Scott T; Hossack, John A

2010-09-01

The spectrum of the convolution of two continuous functions can be determined as the continuous Fourier transform of the cross-correlation function. The same can be said about the spectrum of the convolution of two infinite discrete sequences, which can be determined as the discrete time Fourier transform of the cross-correlation function of the two sequences. In current digital signal processing, the spectrum of the contiuous Fourier transform and the discrete time Fourier transform are approximately determined by numerical integration or by densely taking the discrete Fourier transform. It has been shown that all three transforms share many analogous properties. In this paper we will show another useful property of determining the spectrum terms of the convolution of two finite length sequences by determining the discrete Fourier transform of the modified cross-correlation function. In addition, two properties of the magnitude terms of orthogonal wavelet scaling functions are developed. These properties are used as constraints for an exhaustive search to determine an robust lower bound on conjoint localization of orthogonal scaling functions.

Number of terms required in the Fourier expansion of the reflection function for optically thick atmospheres

NASA Technical Reports Server (NTRS)

King, M. D.

1983-01-01

Computational results are presented for the separate terms in the Fourier expansion of the phase function and the reflection function of a semiinfinite, conservatively scattering atmosphere composed of cloud particles. The calculations involve successive applications of invariant imbedding, doubling, and asymptotic fitting methods to cover the range from very thin to very thick atmospheres. From the results, the ratio of the total reflection function to the first-order reflection function is determined as well as the number of terms required to describe the reflection function to an accuracy of 0.1 percent. The number of terms required depends strongly on the zenith angles of incidence and reflection as well as on details of the phase function. These results are compared with similar results obtained for a Henyey-Greenstein phase function having the same asymmetry factor as in the cloud model.

Astigmatism error modification for absolute shape reconstruction using Fourier transform method

NASA Astrophysics Data System (ADS)

He, Yuhang; Li, Qiang; Gao, Bo; Liu, Ang; Xu, Kaiyuan; Wei, Xiaohong; Chai, Liqun

2014-12-01

A method is proposed to modify astigmatism errors in absolute shape reconstruction of optical plane using Fourier transform method. If a transmission and reflection flat are used in an absolute test, two translation measurements lead to obtain the absolute shapes by making use of the characteristic relationship between the differential and original shapes in spatial frequency domain. However, because the translation device cannot guarantee the test and reference flats rigidly parallel to each other after the translations, a tilt error exists in the obtained differential data, which caused power and astigmatism errors in the reconstructed shapes. In order to modify the astigmatism errors, a rotation measurement is added. Based on the rotation invariability of the form of Zernike polynomial in circular domain, the astigmatism terms are calculated by solving polynomial coefficient equations related to the rotation differential data, and subsequently the astigmatism terms including error are modified. Computer simulation proves the validity of the proposed method.

Optical alignment of high resolution Fourier transform spectrometers

NASA Technical Reports Server (NTRS)

Breckinridge, J. B.; Ocallaghan, F. G.; Cassie, A. G.

1980-01-01

Remote sensing, high resolution FTS instruments often contain three primary optical subsystems: Fore-Optics, Interferometer Optics, and Post, or Detector Optics. We discuss the alignment of a double-pass FTS containing a cat's-eye retro-reflector. Also, the alignment of fore-optics containing confocal paraboloids with a reflecting field stop which relays a field image onto a camera is discussed.

Cloud point extraction and diffuse reflectance-Fourier transform infrared spectroscopic determination of chromium(VI): A probe to adulteration in food stuffs.

PubMed

Tiwari, Swapnil; Deb, Manas Kanti; Sen, Bhupendra K

2017-04-15

A new cloud point extraction (CPE) method for the determination of hexavalent chromium i.e. Cr(VI) in food samples is established with subsequent diffuse reflectance-Fourier transform infrared (DRS-FTIR) analysis. The method demonstrates enrichment of Cr(VI) after its complexation with 1,5-diphenylcarbazide. The reddish-violet complex formed showed λ max at 540nm. Micellar phase separation at cloud point temperature of non-ionic surfactant, Triton X-100 occurred and complex was entrapped in surfactant and analyzed using DRS-FTIR. Under optimized conditions, the limit of detection (LOD) and quantification (LOQ) were 1.22 and 4.02μgmL -1 , respectively. Excellent linearity with correlation coefficient value of 0.94 was found for the concentration range of 1-100μgmL -1 . At 10μgmL -1 the standard deviation for 7 replicate measurements was found to be 0.11μgmL -1 . The method was successfully applied to commercially marketed food stuffs, and good recoveries (81-112%) were obtained by spiking the real samples. Copyright © 2016 Elsevier Ltd. All rights reserved.

Ceramic femoral component fracture in total knee arthroplasty: an analysis using fractography, fourier-transform infrared microscopy, contact radiography and histology.

PubMed

Krueger, Alexander P; Singh, Gurpal; Beil, Frank Timo; Feuerstein, Bernd; Ruether, Wolfgang; Lohmann, Christoph H

2014-05-01

Ceramic components in total knee arthroplasty (TKA) are evolving. We analyze the first case of BIOLOX delta ceramic femoral component fracture. A longitudinal midline fracture in the patellar groove was present, with an intact cement mantle and no bony defects. Fractographic analysis with laser scanning microscopy and white light interferometry showed no evidence of arrest lines, hackles, wake hackles, material flaws, fatigue or crack propagation. Analysis of periprosthetic tissues with Fourier-transform infrared (FT-IR) microscopy, contact radiography, histology, and subsequent digestion and high-speed centrifugation did not show ceramic debris. A macrophage-dominated response was present around polyethylene debris. We conclude that ceramic femoral component failure in this case was related to a traumatic event. Further research is needed to determine the suitability of ceramic components in TKA. Copyright © 2014 Elsevier Inc. All rights reserved.

Flow-through Fourier transform infrared sensor for total hydrocarbons determination in water.

PubMed

Pérez-Palacios, David; Armenta, Sergio; Lendl, Bernhard

2009-09-01

A new flow-through Fourier transform infrared (FT-IR) sensor for oil in water analysis based on solid-phase spectroscopy on octadecyl (C18) silica particles has been developed. The C18 non-polar sorbent is placed inside the sensor and is able to retain hydrocarbons from water samples. The system does not require the use of chlorinated solvents, reducing the environmental impact, and the minimal sample handling stages serve to ensure sample integrity whilst reducing exposure of the analyst to any toxic hydrocarbons present within the samples. Fourier transform infrared (FT-IR) spectra were recorded by co-adding 32 scans at a resolution of 4 cm(-1) and the band located at 1462 cm(-1) due to the CH(2) bending was integrated from 1475 to 1450 cm(-1) using a baseline correction established between 1485 and 1440 cm(-1) using the areas as analytical signal. The technique, which provides a limit of detection (LOD) of 22 mg L(-1) and a precision expressed as relative standard deviation (RSD) lower than 5%, is considerably rapid and allows for a high level of automation.

[Study on Differential Optical Absorption Spectroscopy Data Processing Based on Chirp-Z Transformation].

PubMed

Zheng, Hai-ming; Li, Guang-jie; Wu, Hao

2015-06-01

Differential optical absorption spectroscopy (DOAS) is a commonly used atmospheric pollution monitoring method. Denoising of monitoring spectral data will improve the inversion accuracy. Fourier transform filtering method is effectively capable of filtering out the noise in the spectral data. But the algorithm itself can introduce errors. In this paper, a chirp-z transform method is put forward. By means of the local thinning of Fourier transform spectrum, it can retain the denoising effect of Fourier transform and compensate the error of the algorithm, which will further improve the inversion accuracy. The paper study on the concentration retrieving of SO2 and NO2. The results show that simple division causes bigger error and is not very stable. Chirp-z transform is proved to be more accurate than Fourier transform. Results of the frequency spectrum analysis show that Fourier transform cannot solve the distortion and weakening problems of characteristic absorption spectrum. Chirp-z transform shows ability in fine refactoring of specific frequency spectrum.

Fourier removal of stripe artifacts in IRAS images

NASA Technical Reports Server (NTRS)

Van Buren, Dave

1987-01-01

By working in the Fourier plane, approximate removal of stripe artifacts in IRAS images can be effected. The image of interest is smoothed and subtracted from the original, giving the high-spatial-frequency part. This 'filtered' image is then clipped to remove point sources and then Fourier transformed. Subtracting the Fourier components contributing to the stripes in this image from the Fourier transform of the original and transforming back to the image plane yields substantial removal of the stripes.

Identification of chemical components in Baidianling Capsule based on gas chromatography-mass spectrometry and high-performance liquid chromatography combined with Fourier transform ion cyclotron resonance mass spectrometry.

PubMed

Wu, Wenying; Chen, Yu; Wang, Binjie; Sun, Xiaoyang; Guo, Ping; Chen, Xiaohui

2017-08-01

Baidianling Capsule, which is made from 16 Chinese herbs, has been widely used for treating vitiligo clinically. In this study, the sensitive and rapid method has been developed for the analysis of chemical components in Baidianling Capsule by gas chromatography-mass spectrometry in combination with retention indices and high-performance liquid chromatography combined with Fourier transform ion cyclotron resonance mass spectrometry. Firstly, a total of 110 potential volatile compounds obtained from different extraction procedures including alkanes, alkenes, alkynes, ketones, ethers, aldehydes, alcohols, phenols, organic acids, esters, furans, pyrrole, acid amides, heterocycles, and oxides were detected from Baidianling Capsule by gas chromatography-mass spectrometry, of which 75 were identified by mass spectrometry in combination with the retention index. Then, a total of 124 components were tentatively identified by high-performance liquid chromatography combined with Fourier transform ion cyclotron resonance mass spectrometry. Fifteen constituents from Baidianling Capsule were accurately identified by comparing the retention times with those of reference compounds, others were identified by comparing the retention times and mass spectrometry data, as well as retrieving the reference literature. This study provides a practical strategy for rapidly screening and identifying the multiple constituents of a complex traditional Chinese medicine. © 2017 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

HIGH-RESOLUTION FOURIER TRANSFORM SPECTROSCOPY OF Nb i IN THE NEAR-INFRARED

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

Er, A.; Güzelçimen, F.; Başar, Gö.

In this study, a Fourier Transform spectrum of Niobium (Nb) is investigated in the near-infrared spectral range from 6000 to 12,000 cm{sup −1} (830–1660 nm). The Nb spectrum is produced using a hollow cathode discharge lamp in an argon atmosphere. Both Nb and Ar spectral lines are visible in the spectrum. A total of 110 spectral lines are assigned to the element Nb. Of these lines, 90 could be classified as transitions between known levels of atomic Nb. From these classified Nb i transitions, 27 have not been listed in literature previously. Additionally, 8 lines are classified for the firstmore » time.« less

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.

Quantitative determination of polyphosphate in sediments using Attenuated Total Reflectance-Fourier Transform Infrared (ATR-FTIR) spectroscopy and partial least squares regression.

PubMed

Khoshmanesh, Aazam; Cook, Perran L M; Wood, Bayden R

2012-08-21

Phosphorus (P) is a major cause of eutrophication and subsequent loss of water quality in freshwater ecosystems. A major part of the flux of P to eutrophic lake sediments is organically bound or of biogenic origin. Despite the broad relevance of polyphosphate (Poly-P) in bioremediation and P release processes in the environment, its quantification is not yet well developed for sediment samples. Current methods possess significant disadvantages because of the difficulties associated with using a single extractant to extract a specific P compound without altering others. A fast and reliable method to estimate the quantitative contribution of microorganisms to sediment P release processes is needed, especially when an excessive P accumulation in the form of polyphosphate (Poly-P) occurs. Development of novel approaches for application of emerging spectroscopic techniques to complex environmental matrices such as sediments significantly contributes to the speciation models of P mobilization, biogeochemical nutrient cycling and development of nutrient models. In this study, for the first time Attenuated Total Reflectance-Fourier Transform Infrared (ATR-FTIR) spectroscopy in combination with partial least squares (PLS) was used to quantify Poly-P in sediments. To reduce the high absorption matrix components in sediments such as silica, a physical extraction method was developed to separate sediment biological materials from abiotic particles. The aim was to achieve optimal separation of the biological materials from sediment abiotic particles with minimum chemical change in the sample matrix prior to ATR-FTIR analysis. Using a calibration set of 60 samples for the PLS prediction models in the Poly-P concentration range of 0-1 mg g(-1) d.w. (dry weight of sediment) (R(2) = 0.984 and root mean square error of prediction RMSEP = 0.041 at Factor-1) Poly-P could be detected at less than 50 μg g(-l) d.w. Using this technique, there is no solvent extraction or chemical treatment required, sample preparation is minimal and simple, and the analysis time is greatly reduced. The results from this study demonstrated the potential of ATR FT-IR spectroscopy as an alternative method to study Poly-P in sediments.

Fourier transform infrared spectroscopy for Kona coffee authentication.

PubMed

Wang, Jun; Jun, Soojin; Bittenbender, H C; Gautz, Loren; Li, Qing X

2009-06-01

Kona coffee, the variety of "Kona typica" grown in the north and south districts of Kona-Island, carries a unique stamp of the region of Big Island of Hawaii, U.S.A. The excellent quality of Kona coffee makes it among the best coffee products in the world. Fourier transform infrared (FTIR) spectroscopy integrated with an attenuated total reflectance (ATR) accessory and multivariate analysis was used for qualitative and quantitative analysis of ground and brewed Kona coffee and blends made with Kona coffee. The calibration set of Kona coffee consisted of 10 different blends of Kona-grown original coffee mixture from 14 different farms in Hawaii and a non-Kona-grown original coffee mixture from 3 different sampling sites in Hawaii. Derivative transformations (1st and 2nd), mathematical enhancements such as mean centering and variance scaling, multivariate regressions by partial least square (PLS), and principal components regression (PCR) were implemented to develop and enhance the calibration model. The calibration model was successfully validated using 9 synthetic blend sets of 100% Kona coffee mixture and its adulterant, 100% non-Kona coffee mixture. There were distinct peak variations of ground and brewed coffee blends in the spectral "fingerprint" region between 800 and 1900 cm(-1). The PLS-2nd derivative calibration model based on brewed Kona coffee with mean centering data processing showed the highest degree of accuracy with the lowest standard error of calibration value of 0.81 and the highest R(2) value of 0.999. The model was further validated by quantitative analysis of commercial Kona coffee blends. Results demonstrate that FTIR can be a rapid alternative to authenticate Kona coffee, which only needs very quick and simple sample preparations.

Identification of microplastic in effluents of waste water treatment plants using focal plane array-based micro-Fourier-transform infrared imaging.

PubMed

Mintenig, S M; Int-Veen, I; Löder, M G J; Primpke, S; Gerdts, G

2017-01-01

The global presence of microplastic (MP) in aquatic ecosystems has been shown by various studies. However, neither MP concentrations nor their sources or sinks are completely known. Waste water treatment plants (WWTPs) are considered as significant point sources discharging MP to the environment. This study investigated MP in the effluents of 12 WWTPs in Lower Saxony, Germany. Samples were purified by a plastic-preserving enzymatic-oxidative procedure and subsequent density separation using a zinc chloride solution. For analysis, attenuated total reflection Fourier-transform infrared spectroscopy (ATR-FT-IR) and focal plane array (FPA)-based transmission micro-FT-IR imaging were applied. This allowed the identification of polymers of all MP down to a size of 20 μm. In all effluents MP was found with quantities ranging from 0 to 5 × 10 1  m -3  MP > 500 μm and 1 × 10 1 to 9 × 10 3  m -3  MP < 500 μm. By far, polyethylene was the most frequent polymer type in both size classes. Quantities of synthetic fibres ranged from 9 × 10 1 to 1 × 10 3  m -3 and were predominantly made of polyester. Considering the annual effluxes of tested WWTPs, total discharges of 9 × 10 7 to 4 × 10 9  MP particles and fibres per WWTP could be expected. Interestingly, one tertiary WWTP had an additionally installed post-filtration that reduced the total MP discharge by 97%. Furthermore, the sewage sludge of six WWTPs was examined and the existence of MP, predominantly polyethylene, revealed. Our findings suggest that WWTPs could be a sink but also a source of MP and thus can be considered to play an important role for environmental MP pollution. Copyright © 2016 The Authors. Published by Elsevier Ltd.. All rights reserved.

Electro-Optical Imaging Fourier-Transform Spectrometer

NASA Technical Reports Server (NTRS)

Chao, Tien-Hsin; Zhou, Hanying

2006-01-01

An electro-optical (E-O) imaging Fourier-transform spectrometer (IFTS), now under development, is a prototype of improved imaging spectrometers to be used for hyperspectral imaging, especially in the infrared spectral region. Unlike both imaging and non-imaging traditional Fourier-transform spectrometers, the E-O IFTS does not contain any moving parts. Elimination of the moving parts and the associated actuator mechanisms and supporting structures would increase reliability while enabling reductions in size and mass, relative to traditional Fourier-transform spectrometers that offer equivalent capabilities. Elimination of moving parts would also eliminate the vibrations caused by the motions of those parts. Figure 1 schematically depicts a traditional Fourier-transform spectrometer, wherein a critical time delay is varied by translating one the mirrors of a Michelson interferometer. The time-dependent optical output is a periodic representation of the input spectrum. Data characterizing the input spectrum are generated through fast-Fourier-transform (FFT) post-processing of the output in conjunction with the varying time delay.

Supervision of Ethylene Propylene Diene M-Class (EPDM) Rubber Vulcanization and Recovery Processes Using Attenuated Total Reflection Fourier Transform Infrared (ATR FT-IR) Spectroscopy and Multivariate Analysis.

PubMed

Riba Ruiz, Jordi-Roger; Canals, Trini; Cantero, Rosa

2017-01-01

Ethylene propylene diene monomer (EPDM) rubber is widely used in a diverse type of applications, such as the automotive, industrial and construction sectors among others. Due to its appealing features, the consumption of vulcanized EPDM rubber is growing significantly. However, environmental issues are forcing the application of devulcanization processes to facilitate recovery, which has led rubber manufacturers to implement strict quality controls. Consequently, it is important to develop methods for supervising the vulcanizing and recovery processes of such products. This paper deals with the supervision process of EPDM compounds by means of Fourier transform mid-infrared (FT-IR) spectroscopy and suitable multivariate statistical methods. An expedited and nondestructive classification approach was applied to a sufficient number of EPDM samples with different applied processes, that is, with and without application of vulcanizing agents, vulcanized samples, and microwave treated samples. First the FT-IR spectra of the samples is acquired and next it is processed by applying suitable feature extraction methods, i.e., principal component analysis and canonical variate analysis to obtain the latent variables to be used for classifying test EPDM samples. Finally, the k nearest neighbor algorithm was used in the classification stage. Experimental results prove the accuracy of the proposed method and the potential of FT-IR spectroscopy in this area, since the classification accuracy can be as high as 100%.

Diagnostic segregation of human brain tumours using Fourier-transform infrared and/or Raman spectroscopy coupled with discriminant analysis†

PubMed Central

Gajjar, Ketan; Heppenstall, Lara D.; Pang, Weiyi; Ashton, Katherine M.; Trevisan, Júlio; Patel, Imran I.; Llabjani, Valon; Stringfellow, Helen F.; Martin-Hirsch, Pierre L.; Dawson, Timothy; Martin, Francis L.

2013-01-01

The most common initial treatment received by patients with a brain tumour is surgical removal of the growth. Precise histopathological diagnosis of brain tumours is to some extent subjective. Furthermore, currently available diagnostic imaging techniques to delineate the excision border during cytoreductive surgery lack the required spatial precision to aid surgeons. We set out to determine whether infrared (IR) and/or Raman spectroscopy combined with multivariate analysis could be applied to discriminate between normal brain tissue and different tumour types (meningioma, glioma and brain metastasis) based on the unique spectral “fingerprints” of their biochemical composition. Formalin-fixed paraffin-embedded tissue blocks of normal brain and different brain tumours were de-waxed, mounted on low-E slides and desiccated before being analyzed using attenuated total reflection Fourier-transform IR (ATR-FTIR) and Raman spectroscopy. ATR-FTIR spectroscopy showed a clear segregation between normal and different tumour subtypes. Discrimination of tumour classes was also apparent with Raman spectroscopy. Further analysis of spectral data revealed changes in brain biochemical structure associated with different tumours. Decreased tentatively-assigned lipid-to-protein ratio was associated with increased tumour progression. Alteration in cholesterol esters-to-phenylalanine ratio was evident in grade IV glioma and metastatic tumours. The current study indicates that IR and/or Raman spectroscopy have the potential to provide a novel diagnostic approach in the accurate diagnosis of brain tumours and have potential for application in intra-operative diagnosis. PMID:24098310

Multiparametric approach to unravel the mechanism of Strombolian activity at a multivent system: Mt. Etna case study

NASA Astrophysics Data System (ADS)

Cannata, Andrea; Del Bello, Elisabetta; Kueppers, Ulrich; Privitera, Eugenio; Ricci, Tullio; Scarlato, Piergiorgio; Sciotto, Mariangela; Spina, Laura; Taddeucci, Jacopo; Pena Fernandez, Juan Jose; Sesterhenn, Joern

2016-04-01

On 5th July 2014 an eruptive fissure (hereafter referred to as EF) opened at the base of North-East Crater (NEC) of Mt. Etna. EF produced both Strombolian explosions and lava effusion. Thanks to the multiparametric experiment planned in the framework of MEDSUV project, we had the chance to acquire geophysical and volcanological data, in order to investigate the ongoing volcanic activity at EF. Temporary instruments (2 broadband seismometers, 2 microphones, 3-microphone arrays, a high-speed video camera and a thermal-camera) were deployed near the active vents during 15-16 July 2014 and were integrated with the data recorded by the permanent networks. Several kinds of studies are currently in progress, such as: frequency analysis by Fourier Transform and Short Time Fourier Transform to evaluate the spectral content of both seismic and acoustic signals; partitioning of seismic and acoustic energies, whose time variations could reflect changes in the volcanic dynamics; investigation on the intertimes between explosions to investigate their recurrence behaviour; classification of the waveforms of infrasound events. Furthermore, joint analysis of video signals and seismic-acoustic wavefields outlined relationships between pyroclasts ejection velocity, total erupted mass, peak explosion pressure, and air-ground motion coupling. This multiparametric approach allowed distinguishing and characterizing individually the behavior of the two vents active along the eruptive fissure via their thermal, visible and infrasonic signatures and shed light in the eruptive dynamics.

Homogeneous Nature of Malaysian Marine Fish Epinephelus fuscoguttatus (Perciformes; Serranidae): Evidence Based on Molecular Markers, Morphology and Fourier Transform Infrared Analysis.

PubMed

Nurdalila, A'wani Aziz; Bunawan, Hamidun; Kumar, Subbiah Vijay; Rodrigues, Kenneth Francis; Baharum, Syarul Nataqain

2015-07-02

Taxonomic confusion exists within the genus Epinephelus due to the lack of morphological specializations and the overwhelming number of species reported in several studies. The homogenous nature of the morphology has created confusion in the Malaysian Marine fish species Epinephelus fuscoguttatus and Epinephelus hexagonatus. In this study, the partial DNA sequence of the 16S gene and mitochondrial nucleotide sequences of two gene regions, Cytochrome Oxidase Subunit I and III were used to investigate the phylogenetic relationship between them. In the phylogenetic trees, E. fuscoguttatus was monophyletic with E. hexagonatus species and morphology examination shows that no significant differences were found in the morphometric features between these two taxa. This suggests that E. fuscoguttatus is not distinguishable from E. hexagonatus species, and that E. fuscoguttatus have been identified to be E. hexagonatus species is likely attributed to differences in environment and ability to camouflage themselves under certain conditions. Interestingly, this finding was also supported by Principal Component Analysis on Attenuated Total Reflectance-Fourier-transform Infrared (ATR-FTIR) data analysis. Molecular, morphological and meristic characteristics were combined with ATR-FTIR analysis used in this study offer new perspectives in fish species identification. To our knowledge, this is the first report of an extensive genetic population study of E. fuscoguttatus in Malaysia and this understanding will play an important role in informing genetic stock-specific strategies for the management and conservation of this highly valued fish.

Mahan excitons in degenerate wurtzite InN: Photoluminescence spectroscopy and reflectivity measurements

NASA Astrophysics Data System (ADS)

Feneberg, Martin; Däubler, Jürgen; Thonke, Klaus; Sauer, Rolf; Schley, Pascal; Goldhahn, Rüdiger

2008-06-01

Unintentionally degenerately doped n -type hexagonal wurtzite InN samples were studied by using Fourier-transform photoluminescence spectroscopy and reflectivity measurements. We found in luminescence overlapping band acceptor (e,A0) transitions related to two different acceptors with a strong enhancement of their intensities close to the Fermi energy of the electrons recombining with the localized holes. Our explanation is in terms of a Fermi-edge singularity of the electrons due to strongly increased electron-hole scattering. Electron-hole pairs with such resonantly enhanced oscillator strengths have been referred to as Mahan excitons. Temperature-dependent reflectivity measurements confirm this interpretation.

Hilbert-Huang Transform: A Spectral Analysis Tool Applied to Sunspot Number and Total Solar Irradiance Variations, as well as Near-Surface Atmospheric Variables

NASA Astrophysics Data System (ADS)

Barnhart, B. L.; Eichinger, W. E.; Prueger, J. H.

2010-12-01

Hilbert-Huang transform (HHT) is a relatively new data analysis tool which is used to analyze nonstationary and nonlinear time series data. It consists of an algorithm, called empirical mode decomposition (EMD), which extracts the cyclic components embedded within time series data, as well as Hilbert spectral analysis (HSA) which displays the time and frequency dependent energy contributions from each component in the form of a spectrogram. The method can be considered a generalized form of Fourier analysis which can describe the intrinsic cycles of data with basis functions whose amplitudes and phases may vary with time. The HHT will be introduced and compared to current spectral analysis tools such as Fourier analysis, short-time Fourier analysis, wavelet analysis and Wigner-Ville distributions. A number of applications are also presented which demonstrate the strengths and limitations of the tool, including analyzing sunspot number variability and total solar irradiance proxies as well as global averaged temperature and carbon dioxide concentration. Also, near-surface atmospheric quantities such as temperature and wind velocity are analyzed to demonstrate the nonstationarity of the atmosphere.

Geometric interpretations of the Discrete Fourier Transform (DFT)

NASA Technical Reports Server (NTRS)

Campbell, C. W.

1984-01-01

One, two, and three dimensional Discrete Fourier Transforms (DFT) and geometric interpretations of their periodicities are presented. These operators are examined for their relationship with the two sided, continuous Fourier transform. Discrete or continuous transforms of real functions have certain symmetry properties. The symmetries are examined for the one, two, and three dimensional cases. Extension to higher dimension is straight forward.

Novel Fourier-based iterative reconstruction for sparse fan projection using alternating direction total variation minimization

NASA Astrophysics Data System (ADS)

Zhao, Jin; Han-Ming, Zhang; Bin, Yan; Lei, Li; Lin-Yuan, Wang; Ai-Long, Cai

2016-03-01

Sparse-view x-ray computed tomography (CT) imaging is an interesting topic in CT field and can efficiently decrease radiation dose. Compared with spatial reconstruction, a Fourier-based algorithm has advantages in reconstruction speed and memory usage. A novel Fourier-based iterative reconstruction technique that utilizes non-uniform fast Fourier transform (NUFFT) is presented in this work along with advanced total variation (TV) regularization for a fan sparse-view CT. The proposition of a selective matrix contributes to improve reconstruction quality. The new method employs the NUFFT and its adjoin to iterate back and forth between the Fourier and image space. The performance of the proposed algorithm is demonstrated through a series of digital simulations and experimental phantom studies. Results of the proposed algorithm are compared with those of existing TV-regularized techniques based on compressed sensing method, as well as basic algebraic reconstruction technique. Compared with the existing TV-regularized techniques, the proposed Fourier-based technique significantly improves convergence rate and reduces memory allocation, respectively. Projected supported by the National High Technology Research and Development Program of China (Grant No. 2012AA011603) and the National Natural Science Foundation of China (Grant No. 61372172).

Prevalence of microplastics in the marine waters of Qatar.

PubMed

Castillo, Azenith B; Al-Maslamani, Ibrahim; Obbard, Jeffrey Philip

2016-10-15

Microplastics are firmly recognized as a ubiquitous and growing threat to marine biota and their associated marine habitats worldwide. The evidence of the prevalence of microplastics was documented for the first time in the marine waters of Qatar's Exclusive Economic Zone (EEZ). An optimized and validated protocol was developed for the extraction of microplastics from plankton-rich seawater samples without loss of microplastic debris present and characterized using Attenuated Total Reflectance-Fourier Transform Infrared spectroscopy. In total 30 microplastic polymers have been identified with an average concentration of 0.71particlesm(-3) (range 0-3particlesm(-3)). Polypropylene, low density polyethylene, polyethylene, polystyrene, polyamide, polymethyl methacrylate, cellophane, and acrylonitrile butadiene styrene polymers were characterized with majority of the microplastics either granular shape, sizes ranging from 125μm to 1.82mm or fibrous with sizes from 150μm to 15.98mm. The microplastics are evident in areas where nearby anthropogenic activities, including oil-rig installations and shipping operations are present. Copyright © 2016 Elsevier Ltd. All rights reserved.

Interfacial binding of cutinase rather than its catalytic activity determines the steady state interfacial tension during oil drop lipid hydrolysis.

PubMed

Flipsen, J A; van Schaick, M A; Dijkman, R; van der Hijden, H T; Verheij, H M; Egmond, M R

1999-02-01

Hydrolysis of triglycerides by cutinase from Fusarium solani pisi causes in oil drop tensiometer experiments a decrease of the interfacial tension. A series of cutinase variants with amino acid substitutions at its molecular surface yielded different values of the steady state interfacial tension. This tension value poorly correlated with the specific activity as such nor with the total activity (defined as the specific activity multiplied by the amount of enzyme bound) of the cutinase variants. Moreover, it appeared that at activity levels above 15% of that of wild type cutinase the contribution of hydrolysis to the decrease of the tension is saturating. A clear positive correlation was found between the interfacial tension plateau value and the interfacial binding of cutinase, as determined with attenuated total reflection Fourier transformed infrared spectroscopy (ATR-FTIR). These results indicate that the interfacial steady state level is not determined by the rate of hydrolysis, but mainly by the interfacial binding of cutinase.

Application of Attenuated Total Reflectance-Fourier Transformed Infrared (ATR-FTIR) Spectroscopy To Determine the Chlorogenic Acid Isomer Profile and Antioxidant Capacity of Coffee Beans.

PubMed

Liang, Ningjian; Lu, Xiaonan; Hu, Yaxi; Kitts, David D

2016-01-27

The chlorogenic acid isomer profile and antioxidant activity of both green and roasted coffee beans are reported herein using ATR-FTIR spectroscopy combined with chemometric analyses. High-performance liquid chromatography (HPLC) quantified different chlorogenic acid isomer contents for reference, whereas ORAC, ABTS, and DPPH were used to determine the antioxidant activity of the same coffee bean extracts. FTIR spectral data and reference data of 42 coffee bean samples were processed to build optimized PLSR models, and 18 samples were used for external validation of constructed PLSR models. In total, six PLSR models were constructed for six chlorogenic acid isomers to predict content, with three PLSR models constructed to forecast the free radical scavenging activities, obtained using different chemical assays. In conclusion, FTIR spectroscopy, coupled with PLSR, serves as a reliable, nondestructive, and rapid analytical method to quantify chlorogenic acids and to assess different free radical-scavenging capacities in coffee beans.

Methodological effects in Fourier transform infrared (FTIR) spectroscopy: Implications for structural analyses of biomacromolecular samples

NASA Astrophysics Data System (ADS)

Kamnev, Alexander A.; Tugarova, Anna V.; Dyatlova, Yulia A.; Tarantilis, Petros A.; Grigoryeva, Olga P.; Fainleib, Alexander M.; De Luca, Stefania

2018-03-01

A set of experimental data obtained by Fourier transform infrared (FTIR) spectroscopy (involving the use of samples ground and pressed with KBr, i.e. in a polar halide matrix) and by matrix-free transmission FTIR or diffuse reflectance infrared Fourier transform (DRIFT) spectroscopic methodologies (involving measurements of thin films or pure powdered samples, respectively) were compared for several different biomacromolecular substances. The samples under study included poly-3-hydroxybutyrate (PHB) isolated from cell biomass of the rhizobacterium Azospirillum brasilense; dry PHB-containing A. brasilense biomass; pectin (natural carboxylated heteropolysaccharide of plant origin; obtained from apple peel) as well as its chemically modified derivatives obtained by partial esterification of its galacturonide-chain hydroxyl moieties with palmitic, oleic and linoleic acids. Significant shifts of some FTIR vibrational bands related to polar functional groups of all the biomacromolecules under study, induced by the halide matrix used for preparing the samples for spectroscopic measurements, were shown and discussed. A polar halide matrix used for preparing samples for FTIR measurements was shown to be likely to affect band positions not only per se, by affecting band energies or via ion exchange (e.g., with carboxylate moieties), but also by inducing crystallisation of metastable amorphous biopolymers (e.g., PHB of microbial origin). The results obtained have important implications for correct structural analyses of polar, H-bonded and/or amphiphilic biomacromolecular systems using different methodologies of FTIR spectroscopy.

Two-Lens, Anamorphic, Brewster-Angle, Fourier-Transform Relay

NASA Astrophysics Data System (ADS)

Berggren, Ralph R.

1987-06-01

A two-lens system provides a simple and versatile means to relay a laser beam. The pair of lenses can provide true volume imaging, reproducing both amplitude and phase of the input beam. By using cylindrical lenses it is possible to change the aspect ratio of the beam. By adjusting the cylindrical curvatures, it is possible to minimize reflections by tilting the lenses at the Brewster angle.

The Shell Seeker: What Is the Quantity of Shell in the Lido di Venezia Sand? A Calibration DRIFTS Experiment

ERIC Educational Resources Information Center

Pezzolo, Alessandra De Lorenzi

2011-01-01

In this experiment, students are given a fanciful application of the standard addition method to evaluate the approximate quantity of the shell component in a sample of sand collected on the Lido di Venezia seashore. Several diffuse reflectance infrared Fourier transform (DRIFT) spectra are recorded from a sand sample before and after addition of…

Monitoring Prepregs As They Cure

NASA Technical Reports Server (NTRS)

Young, P. R.; Gleason, J. R.; Chang, A. C.

1986-01-01

Quality IR spectra obtained in dynamic heating environment. New technique obtains quality infrared spectra on graphite-fiber-reinforced, polymeric-matrix-resin prepregs as they cure. Technique resulted from modification of diffuse reflectance/Fourier transform infrared (DR/FTIR) technique previously used to analyze environmentally exposed cured graphite composites. Technique contribute to better understanding of prepreg chemistry/temperature relationships and development of more efficient processing cycles for advanced materials.

An Introduction to Fast Fourier Transforms through the Study of Oscillating Reactions.

ERIC Educational Resources Information Center

Eastman, M. P.; And Others

1986-01-01

Discusses an experiment designed to introduce students to the basic principles of the fast Fourier transform and Fourier smoothing through transformation of time-dependent optical absorption data from an oscillating reaction. Uses the Belousov-Zhabotinskii reaction. Describes the experimental setup and data analysis techniques.

Fourier Transforms for Chemists Part III. Fourier Transforms in Data Treatment.

ERIC Educational Resources Information Center

Glasser, L.

1987-01-01

Discusses the factors affecting the behavior of a spectral function. Lists some important properties of Fourier transform (FT) pairs that are helpful when using the FT. Notes that these properties of the mathematical formulation have identical counterparts in the physical behavior of FT systems. (TW)

Determination of Fourier Transforms on an Instructional Analog Computer

ERIC Educational Resources Information Center

Anderson, Owen T.; Greenwood, Stephen R.

1974-01-01

An analog computer program to find and display the Fourier transform of some real, even functions is described. Oscilloscope traces are shown for Fourier transforms of a rectangular pulse, a Gaussian, a cosine wave, and a delayed narrow pulse. Instructional uses of the program are discussed briefly. (DT)

The application and improvement of Fourier transform spectrometer experiment

NASA Astrophysics Data System (ADS)

Liu, Zhi-min; Gao, En-duo; Zhou, Feng-qi; Wang, Lan-lan; Feng, Xiao-hua; Qi, Jin-quan; Ji, Cheng; Wang, Luning

2017-08-01

According to teaching and experimental requirements of Optoelectronic information science and Engineering, in order to consolidate theoretical knowledge and improve the students practical ability, the Fourier transform spectrometer ( FTS) experiment, its design, application and improvement are discussed in this paper. The measurement principle and instrument structure of Fourier transform spectrometer are introduced, and the spectrums of several common Laser devices are measured. Based on the analysis of spectrum and test, several possible improvement methods are proposed. It also helps students to understand the application of Fourier transform in physics.

Validating data analysis of broadband laser ranging

NASA Astrophysics Data System (ADS)

Rhodes, M.; Catenacci, J.; Howard, M.; La Lone, B.; Kostinski, N.; Perry, D.; Bennett, C.; Patterson, J.

2018-03-01

Broadband laser ranging combines spectral interferometry and a dispersive Fourier transform to achieve high-repetition-rate measurements of the position of a moving surface. Telecommunications fiber is a convenient tool for generating the large linear dispersions required for a dispersive Fourier transform, but standard fiber also has higher-order dispersion that distorts the Fourier transform. Imperfections in the dispersive Fourier transform significantly complicate the ranging signal and must be dealt with to make high-precision measurements. We describe in detail an analysis process for interpreting ranging data when standard telecommunications fiber is used to perform an imperfect dispersive Fourier transform. This analysis process is experimentally validated over a 27-cm scan of static positions, showing an accuracy of 50 μm and a root-mean-square precision of 4.7 μm.

The morphing of geographical features by Fourier transformation.

PubMed

Li, Jingzhong; Liu, Pengcheng; Yu, Wenhao; Cheng, Xiaoqiang

2018-01-01

This paper presents a morphing model of vector geographical data based on Fourier transformation. This model involves three main steps. They are conversion from vector data to Fourier series, generation of intermediate function by combination of the two Fourier series concerning a large scale and a small scale, and reverse conversion from combination function to vector data. By mirror processing, the model can also be used for morphing of linear features. Experimental results show that this method is sensitive to scale variations and it can be used for vector map features' continuous scale transformation. The efficiency of this model is linearly related to the point number of shape boundary and the interceptive value n of Fourier expansion. The effect of morphing by Fourier transformation is plausible and the efficiency of the algorithm is acceptable.

A new transform for the analysis of complex fractionated atrial electrograms

PubMed Central

2011-01-01

Background Representation of independent biophysical sources using Fourier analysis can be inefficient because the basis is sinusoidal and general. When complex fractionated atrial electrograms (CFAE) are acquired during atrial fibrillation (AF), the electrogram morphology depends on the mix of distinct nonsinusoidal generators. Identification of these generators using efficient methods of representation and comparison would be useful for targeting catheter ablation sites to prevent arrhythmia reinduction. Method A data-driven basis and transform is described which utilizes the ensemble average of signal segments to identify and distinguish CFAE morphologic components and frequencies. Calculation of the dominant frequency (DF) of actual CFAE, and identification of simulated independent generator frequencies and morphologies embedded in CFAE, is done using a total of 216 recordings from 10 paroxysmal and 10 persistent AF patients. The transform is tested versus Fourier analysis to detect spectral components in the presence of phase noise and interference. Correspondence is shown between ensemble basis vectors of highest power and corresponding synthetic drivers embedded in CFAE. Results The ensemble basis is orthogonal, and efficient for representation of CFAE components as compared with Fourier analysis (p ≤ 0.002). When three synthetic drivers with additive phase noise and interference were decomposed, the top three peaks in the ensemble power spectrum corresponded to the driver frequencies more closely as compared with top Fourier power spectrum peaks (p ≤ 0.005). The synthesized drivers with phase noise and interference were extractable from their corresponding ensemble basis with a mean error of less than 10%. Conclusions The new transform is able to efficiently identify CFAE features using DF calculation and by discerning morphologic differences. Unlike the Fourier transform method, it does not distort CFAE signals prior to analysis, and is relatively robust to jitter in periodic events. Thus the ensemble method can provide a useful alternative for quantitative characterization of CFAE during clinical study. PMID:21569421

T-dependence of the vibrational dynamics of IBP/diME-β-CD in solid state: A FT-IR spectral and quantum chemical study

NASA Astrophysics Data System (ADS)

Crupi, V.; Guella, G.; Majolino, D.; Mancini, I.; Rossi, B.; Stancanelli, R.; Venuti, V.; Verrocchio, P.; Viliani, G.

2010-05-01

Solid inclusion complex of the non-steroidal anti-inflammatory drug Ibuprofen (IBP, (2-[4-(2-methylpropyl)phenyl]-propanoic acid) with (2,6-dimethyl)-β-cyclodextrin (diME-β-CD) has been investigated by Fourier transform infrared spectroscopy in attenuated total reflectance geometry (FTIR-ATR spectroscopy) and numerical simulation. The complexation-induced changes in the FTIR-ATR spectrum of IBP have been interpreted by comparison with the theoretical vibrational wavenumbers and IR intensities of dimeric structures of IBP, derived from symmetric hydrogen bonding of the two carboxylic groups, computed by using Density Functional Theory (DFT) calculations. From temperature-dependent studies, the enthalpy change ΔH associated with the binding of IBP with diME-β-CD for 1:1 stoichiometry, in solid phase, has been estimated.

Effect of bentonite modification on hardness and mechanical properties of natural rubber nanocomposites

NASA Astrophysics Data System (ADS)

Santiago, Denise Ester O.; Pajarito, Bryan B.; Mangaccat, Winna Faye F.; Tigue, Maelyn Rose M.; Tipton, Monica T.

2016-05-01

The effect of sodium activation, ion-exchange with tertiary amine salt, surface treatment with non-ionic surfactant, and wet grinding of bentonite on hardness and mechanical properties of natural rubber nanocomposites (NRN) was studied using full factorial design of experiment. Results of X-ray diffraction (XRD) show increase in basal spacing d of bentonite due to modification, while attenuated total reflectance Fourier transform infrared spectroscopy (ATR-FTIR) confirm the organic modification of bentonite. Analysis of variance (ANOVA) shows that the main effect of surface treatment increases the hardness and decreases the tensile modulus of the NRN. The surface treatment and wet grinding of bentonite decrease the tensile stresses at 100, 200 and 300% strain of NRN. Sodium activation and ion-exchange negatively affect the compressive properties, while surface treatment significantly improves the compressive properties of NRN.

Polymer electrolyte based on crosslinked poly(glycidyl methacrylate) and 1-butyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide

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

Fei, Beatrice Wong Chui; Hanifah, Sharina Abu; Ahmad, Azizan

2015-09-25

Polymer electrolytes based on crosslinked poly(glycidyl methacrylate) as polymer host and 1-butyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide (BmimTFSI) as incorporated salt were prepared by in-situ photopolymerization technique. The complexes with different mass ratio of glycidyl methacrylate (GMA) monomer to BmimTFSI were investigated. The ionic conductivity of the polymer electrolyte was increased and reach the highest value of 7.50 × 10{sup −4} S cm{sup −1} at the ratio of 3:7 (GMA: BmimTFSI). The interaction between the polymer host and ionic liquid was proved by Attenuated Total Reflectance-Fourier Transformation Infra-Red Spectroscopy (ATR-FTIR). Meanwhile, the X-ray diffraction analysis shows the amorphousity of the polymer electrolyte film increasemore » with the ionic liquid ratio.« less

Debranching and temperature-cycled crystallization of waxy rice starch and their digestibility.

PubMed

Zeng, Feng; Ma, Fei; Gao, Qunyu; Yu, Shujuan; Kong, Fansheng; Zhu, Siming

2014-11-26

Slowly digestible starch (SDS) was obtained through debranched waxy rice starch and subsequent crystallization under isothermal and temperature-cycled conditions. Temperature-cycled crystallization of dual 4/-20 °C produced a higher yield of SDS product than isotherm crystallization. Crystal structure of SDS products changed from A-type to a mixture of B and V-type X-ray diffraction patterns. The relative crystallinity was higher in the temperature-cycled samples than that of isotherm. Attenuated total reflectance Fourier transform infrared spectroscopy suggested that the peripheral regions of isothermal storage starch were better organized than temperature-cycles. Temperature cycling induced higher onset temperature for melting of crystals than isothermal storage under a differential scanning calorimeter. The cycled temperature storage induced a greater amount of SDS than the isothermal storage. Copyright © 2014 Elsevier Ltd. All rights reserved.

Supramolecular assembly of (Z)-ethyl 2-cyano-3-((4-fluorophenyl)amino) acrylate, crystal structure, Hirshfeld surface analysis and DFT studies

NASA Astrophysics Data System (ADS)

Matos, Catiúcia R. M. O.; Vitorino, Letícia S.; de Oliveira, Pedro H. R.; de Souza, Maria Cecília B. V.; Cunha, Anna C.; Boechat, Fernanda da C. S.; Resende, Jackson A. L. C.; Carneiro, José Walkimar de M.; Ronconi, Célia M.

2016-09-01

A mixture of the E and Z isomers of ethyl 2-cyano-3-((4-fluorophenyl)amino) acrylate was synthesized and characterized by elemental analysis, attenuated total reflectance-Fourier transform infrared spectroscopy, 1H and 13C nuclear magnetic resonance spectroscopy. The structure of the Z isomer was determined by single crystal X-ray diffraction, which revealed a three-dimensional supramolecular network governed by Csbnd H⋯N, Csbnd H⋯O, and Csbnd H⋯F hydrogen bonds and π⋯π stacking interactions. The combination of these interactions plays an important role in stabilizing the self-assembly process and the molecular conformation. Hirshfeld surface analysis indicated the roles of the noncovalent interactions in the crystal packing, which were quantified by fingerprint plots and DFT calculations.

Fast Implicit Methods For Elliptic Moving Interface Problems

DTIC Science & Technology

2015-12-11

analyzed, and tested for the Fourier transform of piecewise polynomials given on d-dimensional simplices in D-dimensional Euclidean space. These transforms...evaluation, and one to three orders of magnitude slower than the classical uniform Fast Fourier Transform. Second, bilinear quadratures ---which...a fast algorithm was derived, analyzed, and tested for the Fourier transform of pi ecewise polynomials given on d-dimensional simplices in D

The scale of the Fourier transform: a point of view of the fractional Fourier transform

NASA Astrophysics Data System (ADS)

Jimenez, C. J.; Vilardy, J. M.; Salinas, S.; Mattos, L.; Torres, C. O.

2017-01-01

In this paper using the Fourier transform of order fractional, the ray transfer matrix for the symmetrical optical systems type ABCD and the formulae by Collins for the diffraction, we obtain explicitly the expression for scaled Fourier transform conventional; this result is the great importance in optical signal processing because it offers the possibility of scaling the size of output the Fourier distribution of the system, only by manipulating the distance of the diffraction object toward the thin lens, this research also emphasizes on practical limits when a finite spherical converging lens aperture is used. Digital simulation was carried out using the numerical platform of Matlab 7.1.

Formation of Fourier phase shifts in the solar Ni I 6768 A line

NASA Technical Reports Server (NTRS)

Jones, Harrison P.

1989-01-01

A formalism is developed to understand better how Doppler shifts of spectrum lines as inferred from phase shifts in the Fourier transforms of line profiles are related to the underlying velocity structures which they are intended to measure. With a standard model atmosphere and a simplified, quasi-LTE treatment of line formation, the formalism is applied to the Ni I 6768 A line, which has been selected for use with a network of imaging interferometers under development by the Global Oscillations Network Group for research in helioseismology. Fourier phase shifts are found to be a remarkably linear measure of velocity even in the presence of gradients and unresolved lateral variations in the assumed velocity field. An assumed outward increase in amplitude of a model oscillatory velocity is noticeably reflected in the center-to-limb behavior of the simulated velocity measure, and a sample model of solar granulation is found to have a strong influence on the formation of the Fourier phase.

A Fourier transform spectrometer for site testing at Dome A

NASA Astrophysics Data System (ADS)

Li, Xin-Xing; Paine, Scott; Yao, Qi-Jun; Shi, Sheng-Cai; Matsuo, Hiroshi; Yang, Ji; Zhang, Qi-Zhou

2009-07-01

Observations in tera-hertz astronomy can only be done at a site with good atmospheric transmission at millimeter and submillimeter wavelengths. With extremely dry weather and calm atmosphere resulted by high altitude and cold temperature, Dome A (or Dome Argus), Antarctica, is possibly the best site on this earth for THz astronomy. To evaluate the site condition there, we are constructing a Fourier Transform Spectrometer (FTS) based on Martin-Puplett interferometer to measure the atmospheric transmission in the frequency range of 0.75~15THz. The whole FTS system is designed for unattended and outdoor (temperatures even below -70 degrees Celsius) operation. Its total power consumption is estimated to be approximately 200W. This contribution will give a brief overview of this FTS development.

Research about vibration characteristics of timing chain system based on short-time Fourier transform

NASA Astrophysics Data System (ADS)

Xi, Jiaxin; Liu, Ning

2017-09-01

Vibration characteristic of timing chain system is very important for an engine. In this study, we used a bush roller chain drive system as an example to explain how to use mulitybody dynamic techniques and short-time Fourier transform to investigate vibration characteristics of timing chain system. Multibody dynamic simulation data as chain tension force and external excitation sources curves were provided for short-time Fourier transform study. The study results of short-time Fourier transform illustrate that there are two main vibration frequency domain of timing chain system, one is the low frequency vibration caused by crankshaft sprocket velocity and camshaft sprocket torque. Another is vibration around 1000Hz lead by hydraulic tensioner. Hence, short-time Fourier transform method is useful for basic research of vibration characteristics for timing chain system.

Fourier transform mass spectrometry.

PubMed

Scigelova, Michaela; Hornshaw, Martin; Giannakopulos, Anastassios; Makarov, Alexander

2011-07-01

This article provides an introduction to Fourier transform-based mass spectrometry. The key performance characteristics of Fourier transform-based mass spectrometry, mass accuracy and resolution, are presented in the view of how they impact the interpretation of measurements in proteomic applications. The theory and principles of operation of two types of mass analyzer, Fourier transform ion cyclotron resonance and Orbitrap, are described. Major benefits as well as limitations of Fourier transform-based mass spectrometry technology are discussed in the context of practical sample analysis, and illustrated with examples included as figures in this text and in the accompanying slide set. Comparisons highlighting the performance differences between the two mass analyzers are made where deemed useful in assisting the user with choosing the most appropriate technology for an application. Recent developments of these high-performing mass spectrometers are mentioned to provide a future outlook.

Fourier Transform Mass Spectrometry

PubMed Central

Scigelova, Michaela; Hornshaw, Martin; Giannakopulos, Anastassios; Makarov, Alexander

2011-01-01

This article provides an introduction to Fourier transform-based mass spectrometry. The key performance characteristics of Fourier transform-based mass spectrometry, mass accuracy and resolution, are presented in the view of how they impact the interpretation of measurements in proteomic applications. The theory and principles of operation of two types of mass analyzer, Fourier transform ion cyclotron resonance and Orbitrap, are described. Major benefits as well as limitations of Fourier transform-based mass spectrometry technology are discussed in the context of practical sample analysis, and illustrated with examples included as figures in this text and in the accompanying slide set. Comparisons highlighting the performance differences between the two mass analyzers are made where deemed useful in assisting the user with choosing the most appropriate technology for an application. Recent developments of these high-performing mass spectrometers are mentioned to provide a future outlook. PMID:21742802

Properly used ''aliasing'' can give better resolution from fewer points in Fourier transform spectroscopy

NASA Astrophysics Data System (ADS)

D'Astous, Y.; Blanchard, M.

1982-05-01

In the past years, the Journal has published a number of articles1-5 devoted to the introduction of Fourier transform spectroscopy in the undergraduate labs. In most papers, the proposed experimental setup consists of a Michelson interferometer, a light source, a light detector, and a chart recorder. The student uses this setup to record an interferogram which is then Fourier transformed to obtain the spectrogram of the light source. Although attempts have been made to ease the task of performing the required Fourier transform,6 the use of computers and Cooley-Tukey's fast Fourier transform (FFT) algorithm7 is by far the simplest method to use. However, to be able to use FFT, one has to get a number of samples of the interferogram, a tedious job which should be kept to a minimum. (AIP)

The morphing of geographical features by Fourier transformation

PubMed Central

Liu, Pengcheng; Yu, Wenhao; Cheng, Xiaoqiang

2018-01-01

This paper presents a morphing model of vector geographical data based on Fourier transformation. This model involves three main steps. They are conversion from vector data to Fourier series, generation of intermediate function by combination of the two Fourier series concerning a large scale and a small scale, and reverse conversion from combination function to vector data. By mirror processing, the model can also be used for morphing of linear features. Experimental results show that this method is sensitive to scale variations and it can be used for vector map features’ continuous scale transformation. The efficiency of this model is linearly related to the point number of shape boundary and the interceptive value n of Fourier expansion. The effect of morphing by Fourier transformation is plausible and the efficiency of the algorithm is acceptable. PMID:29351344

Far-field radiation patterns of aperture antennas by the Winograd Fourier transform algorithm

NASA Technical Reports Server (NTRS)

Heisler, R.

1978-01-01

A more time-efficient algorithm for computing the discrete Fourier transform, the Winograd Fourier transform (WFT), is described. The WFT algorithm is compared with other transform algorithms. Results indicate that the WFT algorithm in antenna analysis appears to be a very successful application. Significant savings in cpu time will improve the computer turn around time and circumvent the need to resort to weekend runs.

Homogenization of Electromagnetic and Seismic Wavefields for Joint Inverse Modeling

NASA Astrophysics Data System (ADS)

Newman, G. A.; Commer, M.; Petrov, P.; Um, E. S.

2011-12-01

A significant obstacle in developing a robust joint imaging technology exploiting seismic and electromagnetic (EM) wave fields is the resolution at which these different geophysical measurements sense the subsurface. Imaging of seismic reflection data is an order of magnitude finer in resolution and scale compared to images produced with EM data. A consistent joint image of the subsurface geophysical attributes (velocity, electrical conductivity) requires/demands the different geophysical data types be similar in their resolution of the subsurface. The superior resolution of seismic data results from the fact that the energy propagates as a wave, while propagation of EM energy is diffusive and attenuates with distance. On the other hand, the complexity of the seismic wave field can be a significant problem due to high reflectivity of the subsurface and the generation of multiple scattering events. While seismic wave fields have been very useful in mapping the subsurface for energy resources, too much scattering and too many reflections can lead to difficulties in imaging and interpreting seismic data. To overcome these obstacles a formulation for joint imaging of seismic and EM wave fields is introduced, where each data type is matched in resolution. In order to accomplish this, seismic data are first transformed into the Laplace-Fourier Domain, which changes the modeling of the seismic wave field from wave propagation to diffusion. Though high frequency information (reflectivity) is lost with this transformation, several benefits follow: (1) seismic and EM data can be easily matched in resolution, governed by the same physics of diffusion, (2) standard least squares inversion works well with diffusive type problems including both transformed seismic and EM, (3) joint imaging of seismic and EM data may produce better starting velocity models critical for successful reverse time migration or full waveform imaging of seismic data (non transformed) and (4) possibilities to image across multiple scale lengths, incorporating different types of geophysical data and attributes in the process. Important numerical details of 3D seismic wave field simulation in the Laplace-Fourier domain for both acoustic and elastic cases will also be discussed.

Representation of Complex Spectra in Auditory Cortex

DTIC Science & Technology

1997-01-01

predict the response to any broadband dynamic sound. Fourier Transform Inverse Transform ∫ [.] exp(±2πjΩx±2πjwt) 2 1 2 / 1 1 a 2 1 2 / 1 1 a...Systems Research University of Maryland Spectro-Temporal Transform Ω wx = log f t w = “ripple velocity” Ω = “ripple frequency” Fourier Transform Inverse ... Transform ∫ [.] exp(±2πjΩx±2πjwt) Real functions in the spectro-temporal domain give rise to complex conjugate symmetric functions in the Fourier

Fiber-optic evanescent-wave spectroscopy for fast multicomponent analysis of human blood

NASA Astrophysics Data System (ADS)

Simhi, Ronit; Gotshal, Yaron; Bunimovich, David; Katzir, Abraham; Sela, Ben-Ami

1996-07-01

A spectral analysis of human blood serum was undertaken by fiber-optic evanescent-wave spectroscopy (FEWS) by the use of a Fourier-transform infrared spectrometer. A special cell for the FEWS measurements was designed and built that incorporates an IR-transmitting silver halide fiber and a means for introducing the blood-serum sample. Further improvements in analysis were obtained by the adoption of multivariate calibration techniques that are already used in clinical chemistry. The partial least-squares algorithm was used to calculate the concentrations of cholesterol, total protein, urea, and uric acid in human blood serum. The estimated prediction errors obtained (in percent from the average value) were 6% for total protein, 15% for cholesterol, 30% for urea, and 30% for uric acid. These results were compared with another independent prediction method that used a neural-network model. This model yielded estimated prediction errors of 8.8% for total protein, 25% for cholesterol, and 21% for uric acid. spectroscopy, fiber-optic evanescent-wave spectroscopy, Fourier-transform infrared spectrometer, blood, multivariate calibration, neural networks.

Developments in the realization of diffuse reflectance scales at NPL

NASA Astrophysics Data System (ADS)

Chunnilall, Christopher J.; Clarke, Frank J. J.; Shaw, Michael J.

2005-08-01

The United Kingdom scales for diffuse reflectance are realized using two primary instruments. In the 360 nm to 2.5 μm spectral region the National Reference Reflectometer (NRR) realizes absolute measurement of reflectance and radiance factor by goniometric measurements. Hemispherical reflectance scales are obtained through the spatial integration of these goniometric measurements. In the mid-infrared region (2.5 μm - 55 μm) the hemispherical reflectance scale is realized by the Absolute Hemispherical Reflectometer (AHR). This paper describes some of the uncertainties resulting from errors in aligning the NRR and non-ideality in sample topography, together with its use to carry out measurements in the 1 - 1.6 μm region. The AHR has previously been used with grating spectrometers, and has now been coupled to a Fourier transform spectrometer.

[Optical-fiber Fourier transform spectrometer].

PubMed

Liu, Yong; Li, Bao-sheng; Liu, Yan; Zhai, Yu-feng; Wang, An

2006-10-01

A novel Fourier transform spectrum analyzer based on a single mode fiber Mach-Zehnder interferometer is reported. An optical fiber Fourier transform spectrometer, with bulk optics components replaced by fiber optical components and with the moving mirror replaced by a piezoelectric element fiber stretcher was constructed. The output spectrum of a LD below threshold was measured. Experiment result agrees with that by using grating spectrum analyzer, showing the feasibility of the optic fiber Fourier transform spectrometer for practical spectrum measurement. Spectrum resolution -7 cm(-1) was obtained in our experiment. The resolution can be further improved by increasing the maximum optical path difference.

On the Identification of Rayon/Viscose as a Major Fraction of Microplastics in the Marine Environment: Discrimination between Natural and Manmade Cellulosic Fibers Using Fourier Transform Infrared Spectroscopy

PubMed Central

Comnea-Stancu, Ionela Raluca; Wieland, Karin; Ramer, Georg; Schwaighofer, Andreas

2016-01-01

This work was sparked by the reported identification of man-made cellulosic fibers (rayon/viscose) in the marine environment as a major fraction of plastic litter by Fourier transform infrared (FT-IR) transmission spectroscopy and library search. To assess the plausibility of such findings, both natural and man-made fibers were examined using FT-IR spectroscopy. Spectra acquired by transmission microscopy, attenuated total reflection (ATR) microscopy, and ATR spectroscopy were compared. Library search was employed and results show significant differences in the identification rate depending on the acquisition method of the spectra. Careful selection of search parameters and the choice of spectra acquisition method were found to be essential for optimization of the library search results. When using transmission spectra of fibers and ATR libraries it was not possible to differentiate between man-made and natural fibers. Successful differentiation of natural and man-made cellulosic fibers has been achieved for FT-IR spectra acquired by ATR microscopy and ATR spectroscopy, and application of ATR libraries. As an alternative, chemometric methods such as unsupervised hierarchical cluster analysis, principal component analysis, and partial least squares-discriminant analysis were employed to facilitate identification based on intrinsic relationships of sample spectra and successful discrimination of the fiber type could be achieved. Differences in the ATR spectra depending on the internal reflection element (Ge versus diamond) were observed as expected; however, these did not impair correct classification by chemometric analysis. Moreover, the effects of different levels of humidity on the IR spectra of natural and man-made fibers were investigated, too. It has been found that drying and re-humidification leads to intensity changes of absorption bands of the carbohydrate backbone, but does not impair the identification of the fiber type by library search or cluster analysis. PMID:27650982

Is the algorithm used to process heart rate variability data clinically relevant? Analysis in male adolescents.

PubMed

Soares, Antonio Henrique Germano; Farah, Breno Quintella; Cucato, Gabriel Grizzo; Bastos-Filho, Carmelo José Albanez; Christofaro, Diego Giulliano Destro; Vanderlei, Luiz Carlos Marques; Lima, Aluísio Henrique Rodrigues de Andrade; Ritti-Dias, Raphael Mendes

2016-01-01

To analyze whether the algorithm used for the heart rate variability assessment (fast Fourier transform versus autoregressive methods) influenced its association with cardiovascular risk factors in male adolescents. This cross-sectional study included 1,152 male adolescents (aged 14 to 19 years). The low frequency, high frequency components (absolute numbers and normalized units), low frequency/high frequency ratio, and total power of heart rate variability parameters were obtained using the fast Fourier transform and autoregressive methods, while the adolescents were resting in a supine position. All heart rate variability parameters calculated from both methods were different (p<0.05). However, a low effect size (<0.1) was found for all parameters. The intra-class correlation between methods ranged from 0.96 to 0.99, whereas the variation coefficient ranged from 7.4 to 14.8%. Furthermore, waist circumference was negatively associated with high frequency, and positively associated with low frequency and sympatovagal balance (p<0.001 for both fast Fourier transform and autoregressive methods in all associations). Systolic blood pressure was negatively associated with total power and high frequency, whereas it was positively associated with low frequency and sympatovagal balance (p<0.001 for both fast Fourier transform and autoregressive methods in all associations). Body mass index was negatively associated with high frequency, while it was positively associated with low frequency and sympatovagal balance (p values ranged from <0.001 to 0.007). There are significant differences in heart rate variability parameters obtained with the fast Fourier transform and autoregressive methods in male adolescent; however, these differences are not clinically significant. Analisar se o algoritmo usado para avaliação da variabilidade da frequência cardíaca (transformada rápida de Fourier versus autoregressivo) influencia em sua associação com fatores de risco cardiovascular adolescentes do gênero masculino. Estudo transversal, que incluiu 1.152 adolescentes do gênero masculino (14 a 19 anos). Componentes de baixa e alta frequência (absolutos e unidades normalizadas), razão componente de baixa frequência/componente de alta frequência e poder total da variabilidade da frequência cardíaca foram obtidos em repouso, na posição supina, usando os métodos transformada rápida de Fourier e autorregressivo. Todos os parâmetros da variabilidade da frequência cardíaca para ambos os métodos foram diferentes (p<0,05). Entretanto, um pequeno tamanho do efeito (<0,1) foi observado para todos os parâmetros. Os coeficientes de correlação intraclasse entre os métodos variaram de 0,96 a 0,99, enquanto os coeficientes de variação foram de 7,4 a 14,8%. A circunferência abdominal foi negativamente associada com o componente de alta frequência, e positivamente associada com o componente de baixa frequência e o balanço simpatovagal (p<0,001 para a transformada rápida de Fourier e o autorregressivo em todas as associações). A pressão arterial sistólica foi negativamente associada com o poder total e o componente de alta frequência, enquanto foi positivamente associada com o componente de baixa frequência e o balanço simpatovagal (p<0,001 para a transformada rápida de Fourier e o autorregressivo em todas as associações). O índice de massa corporal foi negativamente associado com o componente de alta frequência, enquanto foi positivamente associado com o componente de baixa frequência e o balanço simpatovagal (valores de p variando de <0,001 a 0,007). Houve diferenças significantes nos parâmetros da variabilidade da frequência cardíaca obtidos com os métodos transformada rápida de Fourier e autorregressivo em adolescentes masculinos, mas essas diferenças não foram clinicamente significativas.

Building a symbolic computer algebra toolbox to compute 2D Fourier transforms in polar coordinates.

PubMed

Dovlo, Edem; Baddour, Natalie

2015-01-01

The development of a symbolic computer algebra toolbox for the computation of two dimensional (2D) Fourier transforms in polar coordinates is presented. Multidimensional Fourier transforms are widely used in image processing, tomographic reconstructions and in fact any application that requires a multidimensional convolution. By examining a function in the frequency domain, additional information and insights may be obtained. The advantages of our method include: •The implementation of the 2D Fourier transform in polar coordinates within the toolbox via the combination of two significantly simpler transforms.•The modular approach along with the idea of lookup tables implemented help avoid the issue of indeterminate results which may occur when attempting to directly evaluate the transform.•The concept also helps prevent unnecessary computation of already known transforms thereby saving memory and processing time.

Automatic Fourier transform and self-Fourier beams due to parabolic potential

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

Zhang, Yiqi, E-mail: zhangyiqi@mail.xjtu.edu.cn; Liu, Xing; Belić, Milivoj R., E-mail: milivoj.belic@qatar.tamu.edu

We investigate the propagation of light beams including Hermite–Gauss, Bessel–Gauss and finite energy Airy beams in a linear medium with parabolic potential. Expectedly, the beams undergo oscillation during propagation, but quite unexpectedly they also perform automatic Fourier transform, that is, periodic change from the beam to its Fourier transform and back. In addition to oscillation, the finite-energy Airy beams exhibit periodic inversion during propagation. The oscillating period of parity-asymmetric beams is twice that of the parity-symmetric beams. Based on the propagation in parabolic potential, we introduce a class of optically-interesting beams that are self-Fourier beams—that is, the beams whose Fouriermore » transforms are the beams themselves.« less

A blind transform based approach for the detection of isolated astrophysical pulses

NASA Astrophysics Data System (ADS)

Alkhweldi, Marwan; Schmid, Natalia A.; Prestage, Richard M.

2017-06-01

This paper presents a blind algorithm for the automatic detection of isolated astrophysical pulses. The detection algorithm is applied to spectrograms (also known as "filter bank data" or "the (t,f) plane"). The detection algorithm comprises a sequence of three steps: (1) a Radon transform is applied to the spectrogram, (2) a Fourier transform is applied to each projection parametrized by an angle, and the total power in each projection is calculated, and (3) the total power of all projections above 90° is compared to the total power of all projections below 90° and a decision in favor of an astrophysical pulse present or absent is made. Once a pulse is detected, its Dispersion Measure (DM) is estimated by fitting an analytically developed expression for a transformed spectrogram containing a pulse, with varying value of DM, to the actual data. The performance of the proposed algorithm is numerically analyzed.

Parts-Per-Billion Mass Measurement Accuracy Achieved through the Combination of Multiple Linear Regression and Automatic Gain Control in a Fourier Transform Ion Cyclotron Resonance Mass Spectrometer

PubMed Central

Williams, D. Keith; Muddiman, David C.

2008-01-01

Fourier transform ion cyclotron resonance mass spectrometry has the ability to achieve unprecedented mass measurement accuracy (MMA); MMA is one of the most significant attributes of mass spectrometric measurements as it affords extraordinary molecular specificity. However, due to space-charge effects, the achievable MMA significantly depends on the total number of ions trapped in the ICR cell for a particular measurement. Even through the use of automatic gain control (AGC), the total ion population is not constant between spectra. Multiple linear regression calibration in conjunction with AGC is utilized in these experiments to formally account for the differences in total ion population in the ICR cell between the external calibration spectra and experimental spectra. This ability allows for the extension of dynamic range of the instrument while allowing mean MMA values to remain less than 1 ppm. In addition, multiple linear regression calibration is used to account for both differences in total ion population in the ICR cell as well as relative ion abundance of a given species, which also affords mean MMA values at the parts-per-billion level. PMID:17539605

A discrete Fourier transform for virtual memory machines

NASA Technical Reports Server (NTRS)

Galant, David C.

1992-01-01

An algebraic theory of the Discrete Fourier Transform is developed in great detail. Examination of the details of the theory leads to a computationally efficient fast Fourier transform for the use on computers with virtual memory. Such an algorithm is of great use on modern desktop machines. A FORTRAN coded version of the algorithm is given for the case when the sequence of numbers to be transformed is a power of two.

Detection of aflatoxin and surface mould contaminated figs by using Fourier transform near-infrared reflectance spectroscopy.

PubMed

Durmuş, Efkan; Güneş, Ali; Kalkan, Habil

2017-01-01

Aflatoxins are toxic metabolites that are mainly produced by members of the Aspergillus section Flavi on many agricultural products. Certain agricultural products such as figs are known to be high risk products for aflatoxin contamination. Aflatoxin contaminated figs may show a bright greenish yellow fluorescence (BGYF) under ultraviolet (UV) light at a wavelength of 365 nm. Traditionally, BGYF positive figs are manually selected by workers. However, manual selection depends on the expertise level of the workers and it may cause them skin-related health problems due to UV radiation. In this study, we propose a non-invasive approach to detect aflatoxin and surface mould contaminated figs by using Fourier transform near-infrared (FT-NIR) reflectance spectroscopy. A classification accuracy of 100% is achieved for classifying the figs into aflatoxin contaminated/uncontaminated and surface mould contaminated/uncontaminated categories. In addition, a strong correlation has been found between aflatoxin and surface mould. Combined with pattern classification methods, the NIR spectroscopy can be used to detect aflatoxin contaminated figs non-invasively. Furthermore, a positive correlation between surface mould and aflatoxin contamination leads to a promising alternative indicator for the detection of aflatoxin-contaminated figs. © 2016 Society of Chemical Industry. © 2016 Society of Chemical Industry.

Ecological risk assessment on heavy metals in soils: Use of soil diffuse reflectance mid-infrared Fourier-transform spectroscopy

PubMed Central

Wang, Cheng; Li, Wei; Guo, Mingxing; Ji, Junfeng

2017-01-01

The bioavailability of heavy metals in soil is controlled by their concentrations and soil properties. Diffuse reflectance mid-infrared Fourier-transform spectroscopy (DRIFTS) is capable of detecting specific organic and inorganic bonds in metal complexes and minerals and therefore, has been employed to predict soil composition and heavy metal contents. The present study explored the potential of DRIFTS for estimating soil heavy metal bioavailability. Soil and corresponding wheat grain samples from the Yangtze River Delta region were analyzed by DRIFTS and chemical methods. Statistical regression analyses were conducted to correlate the soil spectral information to the concentrations of Cd, Cr, Cu, Zn, Pb, Ni, Hg and Fe in wheat grains. The principal components in the spectra influencing soil heavy metal bioavailability were identified and used in prediction model construction. The established soil DRIFTS-based prediction models were applied to estimate the heavy metal concentrations in wheat grains in the mid-Yangtze River Delta area. The predicted heavy metal concentrations of wheat grain were highly consistent with the measured levels by chemical analysis, showing a significant correlation (r2 > 0.72) with acceptable root mean square error RMSE. In conclusion, DRIFTS is a promising technique for assessing the bioavailability of soil heavy metals and related ecological risk. PMID:28198802

Synthesis of Cu/CuO nanoparticles in mesoporous material by solid state reaction

NASA Astrophysics Data System (ADS)

Sohrabnezhad, Sh.; Valipour, A.

2013-10-01

The Mobil Composition of Matter No. 41 (MCM-41) containing 1.0 and 5.0 wt.% of Cu was synthesized under solid state reaction. The calcinations of samples were done at two different temperatures, 500 and 300 °C. X-ray diffraction (XRD), UV-Vis diffuse reflectance spectroscopy (UV-Vis DRS), Fourier transform infrared spectroscopy (FTIR) and transmission electron microscopy (TEM) were used for samples characterization. Powder X-ray diffraction showed that when Cu(CH3COO)2 content is about 1.0 wt.% in Cu/MCM-41, the guest CuO-NPs and copper ions is formed on the silica channel wall, and more exists in the crystalline state. When Cu(CH3COO)2 content exceeds this value (5.0 wt.%), CuO nanoparticles and Cu2+ ions can be observed in low crystalline state. From the diffuse reflectance spectra it was confirmed that 5 wt.% Cu/MCM-41 sample calcined at 500 °C show plasmon resonance band due to Cu nanoparticles in the range between 500 and 600 nm and small copper clusters Cun in 450 nm. It also shows that some of the Cu2+ ions are present octahedrally in extraframework position in all samples. Both fourier transform infrared and diffuse reflectance spectra indicate that some of Cu2+ ions are tetrahedrally within the framework position in 1 wt.% Cu/MCM-41 samples. TEM images indicated that nanoparticles size of CuO is in range of 30-40 nm.

A Simple Approach to Fourier Aliasing

ERIC Educational Resources Information Center

Foadi, James

2007-01-01

In the context of discrete Fourier transforms the idea of aliasing as due to approximation errors in the integral defining Fourier coefficients is introduced and explained. This has the positive pedagogical effect of getting to the heart of sampling and the discrete Fourier transform without having to delve into effective, but otherwise long and…

A general spectral transformation simultaneously including a Fourier transformation and a Laplace transformation

NASA Technical Reports Server (NTRS)

Marko, H.

1978-01-01

A general spectral transformation is proposed and described. Its spectrum can be interpreted as a Fourier spectrum or a Laplace spectrum. The laws and functions of the method are discussed in comparison with the known transformations, and a sample application is shown.

Changes in hemp secondary fiber production related to technical fiber variability revealed by light microscopy and attenuated total reflectance Fourier transform infrared spectroscopy

PubMed Central

Fernandez-Tendero, Eva; Day, Arnaud; Legros, Sandrine; Habrant, Anouck; Hawkins, Simon

2017-01-01

Interest in hemp (Cannabis sativa L.) is increasing due to the development of a new range of industrial applications based on bast fibers. However the variability of bast fiber yield and quality represents an important barrier to further exploitation. Primary and secondary fiber content was examined in two commercial hemp varieties (Fedora 17, Santhica 27) grown under contrasted sowing density and irrigation conditions. Both growing conditions and hemp varieties impact stem tissue architecture with a large effect on the proportion of secondary fibers but not primary fibers. Attenuated total reflectance infrared spectroscopy allowed the discrimination of manually-isolated native primary fibers and secondary fibers but did not reveal any clustering according to growing conditions and variety. Infrared data were confirmed by wet chemistry analyses that revealed slight but significant differences between primary and secondary fiber cell wall composition. Infrared spectroscopy of technical fibers obtained after mechanical defibering revealed differences with native primary, but not secondary fibers and also discriminated samples obtained from plants grown under different conditions. Altogether the results suggested that the observed variability of hemp technical fibers could be partially explained by i) differences in secondary fiber production and ii) differential behavior during mechanical defibering resulting in unequal separation of primary and secondary fibers. PMID:28640922

Changes in hemp secondary fiber production related to technical fiber variability revealed by light microscopy and attenuated total reflectance Fourier transform infrared spectroscopy.

PubMed

Fernandez-Tendero, Eva; Day, Arnaud; Legros, Sandrine; Habrant, Anouck; Hawkins, Simon; Chabbert, Brigitte

2017-01-01

Interest in hemp (Cannabis sativa L.) is increasing due to the development of a new range of industrial applications based on bast fibers. However the variability of bast fiber yield and quality represents an important barrier to further exploitation. Primary and secondary fiber content was examined in two commercial hemp varieties (Fedora 17, Santhica 27) grown under contrasted sowing density and irrigation conditions. Both growing conditions and hemp varieties impact stem tissue architecture with a large effect on the proportion of secondary fibers but not primary fibers. Attenuated total reflectance infrared spectroscopy allowed the discrimination of manually-isolated native primary fibers and secondary fibers but did not reveal any clustering according to growing conditions and variety. Infrared data were confirmed by wet chemistry analyses that revealed slight but significant differences between primary and secondary fiber cell wall composition. Infrared spectroscopy of technical fibers obtained after mechanical defibering revealed differences with native primary, but not secondary fibers and also discriminated samples obtained from plants grown under different conditions. Altogether the results suggested that the observed variability of hemp technical fibers could be partially explained by i) differences in secondary fiber production and ii) differential behavior during mechanical defibering resulting in unequal separation of primary and secondary fibers.

Sensing cocaine in saliva with attenuated total reflection infrared (ATR-IR) spectroscopy combined with a one-step extraction method

NASA Astrophysics Data System (ADS)

Hans, Kerstin M.-C.; Gianella, Michele; Sigrist, Markus W.

2012-03-01

On-site drug tests have gained importance, e.g., for protecting the society from impaired drivers. Since today's drug tests are majorly only positive/negative, there is a great need for a reliable, portable and preferentially quantitative drug test. In the project IrSens we aim to bridge this gap with the development of an optical sensor platform based on infrared spectroscopy and focus on cocaine detection in saliva. We combine a one-step extraction method, a sample drying technique and infrared attenuated total reflection (ATR) spectroscopy. As a first step we have developed an extraction technique that allows us to extract cocaine from saliva to an almost infrared-transparent solvent and to record ATR spectra with a commercially available Fourier Transform-infrared spectrometer. To the best of our knowledge this is the first time that such a simple and easy-to-use one-step extraction method is used to transfer cocaine from saliva into an organic solvent and detect it quantitatively. With this new method we are able to reach a current limit of detection around 10 μg/ml. This new extraction method could also be applied to waste water monitoring and controlling caffeine content in beverages.

A Novel Optical Diagnostic for In Situ Measurements of Lithium Polysulfides in Battery Electrolytes.

PubMed

Saqib, Najmus; Silva, Cody J; Maupin, C Mark; Porter, Jason M

2017-07-01

An optical diagnostic technique to determine the order and concentration of lithium polysulfides in lithium-sulfur (Li-S) battery electrolytes has been developed. One of the major challenges of lithium-sulfur batteries is the problem of polysulfide shuttling between the electrodes, which leads to self-discharge and loss of active material. Here we present an optical diagnostic for quantitative in situ measurements of lithium polysulfides using attenuated total reflection Fourier transform infrared (FT-IR) spectroscopy. Simulated infrared spectra of lithium polysulfide molecules were generated using computational quantum chemistry routines implemented in Gaussian 09. The theoretical spectra served as a starting point for experimental characterization of lithium polysulfide solutions synthesized by the direct reaction of lithium sulfide and sulfur. Attenuated total reflection FT-IR spectroscopy was used to measure absorption spectra. The lower limit of detection with this technique is 0.05 M. Measured spectra revealed trends with respect to polysulfide order and concentration, consistent with theoretical predictions, which were used to develop a set of equations relating the order and concentration of lithium polysulfides in a sample to the position and area of a characteristic infrared absorption band. The diagnostic routine can measure the order and concentration to within 5% and 0.1 M, respectively.

Fourier Analysis and Structure Determination: Part I: Fourier Transforms.

ERIC Educational Resources Information Center

Chesick, John P.

1989-01-01

Provides a brief introduction with some definitions and properties of Fourier transforms. Shows relations, ways of understanding the mathematics, and applications. Notes proofs are not included but references are given. First of three part series. (MVL)

Fourier transform of delayed fluorescence as an indicator of herbicide concentration.

PubMed

Guo, Ya; Tan, Jinglu

2014-12-21

It is well known that delayed fluorescence (DF) from Photosystem II (PSII) of plant leaves can be potentially used to sense herbicide pollution and evaluate the effect of herbicides on plant leaves. The research of using DF as a measure of herbicides in the literature was mainly conducted in time domain and qualitative correlation was often obtained. Fourier transform is often used to analyze signals. Viewing DF signal in frequency domain through Fourier transform may allow separation of signal components and provide a quantitative method for sensing herbicides. However, there is a lack of an attempt to use Fourier transform of DF as an indicator of herbicide. In this work, the relationship between the Fourier transform of DF and herbicide concentration was theoretically modelled and analyzed, which immediately yielded a quantitative method to measure herbicide concentration in frequency domain. Experiments were performed to validate the developed method. Copyright © 2014 Elsevier Ltd. All rights reserved.

Reflective Coating on Fibrous Insulation for Reduced Heat Transfer

NASA Technical Reports Server (NTRS)

Hass, Derek D.; Prasad, B. Durga; Glass, David E.; Wiedemann, Karl E.

1997-01-01

Radiative heat transfer through fibrous insulation used in thermal protection systems (TPS) is significant at high temperatures (1200 C). Decreasing the radiative heat transfer through the fibrous insulation can thus have a major impact on the insulating ability of the TPS. Reflective coatings applied directly to the individual fibers in fibrous insulation should decrease the radiative heat transfer leading to an insulation with decreased effective thermal conductivity. Coatings with high infrared reflectance have been developed using sol-gel techniques. Using this technique, uniform coatings can be applied to fibrous insulation without an appreciable increase in insulation weight or density. Scanning electron microscopy, Fourier Transform infrared spectroscopy, and ellipsometry have been performed to evaluate coating performance.

Reflection and transmission coefficients for guided waves reflected by defects in viscoelastic material plates.

PubMed

Hosten, Bernard; Moreau, Ludovic; Castaings, Michel

2007-06-01

The paper presents a Fourier transform-based signal processing procedure for quantifying the reflection and transmission coefficients and mode conversion of guided waves diffracted by defects in plates made of viscoelastic materials. The case of the S(0) Lamb wave mode incident on a notch in a Perspex plate is considered. The procedure is applied to numerical data produced by a finite element code that simulates the propagation of attenuated guided modes and their diffraction by the notch, including mode conversion. Its validity and precision are checked by the way of the energy balance computation and by comparison with results obtained using an orthogonality relation-based processing method.

Exploitation of microbes for enhancing bacoside content and reduction of Meloidogyne incognita infestation in Bacopa monnieri L.

PubMed

Gupta, Rupali; Tiwari, Sudeep; Saikia, Shilpi K; Shukla, Virendra; Singh, Rashmi; Singh, S P; Kumar, P V Ajay; Pandey, Rakesh

2015-01-01

Despite the vast exploration of rhizospheric microbial wealth for crop yield enhancement, knowledge about the efficacy of microbial agents as biocontrol weapons against root-knot disease is scarce, especially in medicinal plants, viz., Bacopa monnieri. In the present investigation, rhizospheric microbes, viz., Bacillus megaterium, Glomus intraradices, Trichoderma harzianum ThU, and their combinations were evaluated for the management of Meloidogyne incognita (Kofoid and White) Chitwood and bacoside content enhancement in B. monnieri var CIM-Jagriti. A novel validated method Fourier transform near infrared was used for rapid estimation of total bacoside content. A significant reduction (2.75-fold) in root-knot indices was observed in the combined treatment of B. megaterium and T. harzianum ThU in comparison to untreated control plants. The same treatment also showed significant enhancement (1.40-fold) in total bacoside contents (plant active molecule) content using Fourier transform near-infrared (FT-NIR) method that analyses samples rapidly in an hour without solvent usage and provides ample scope for natural product studies.

Intracranial vascular stenosis and occlusion: Diagnostic accuracy of three-dimensional, fourier transform, time-of-flight MR angiography

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

Korogi, Yukunori; Takahashi, Mutsumasa; Mabuchi, Nobuhisa

1994-10-01

To assess the accuracy of three-dimensional, Fourier transform, time-of-flight magnetic resonance (MR) angiography in the detection of intracranial steno-occlusive diseases. One hundred thirty-one patients (62 male and 69 female patients, aged 6-77 years [mean, 53 years 8 months]) underwent MR and conventional angiography for evaluation of possible intracranial vascular disease. A total of 502 arteries were assessed. Eight projections and a collapsed image postprocessed by means of a maximum-intensity projection algorithm were reviewed by five observers in a blinded manner, with conventional angiography as the standard. A total of 32 steno-occlusive lesions were available for review. Receiver operating characteristic analysismore » from the pooled data revealed overall sensitivities of 85% and 88% and specificities of 96% and 97% for the internal carotid artery and the middle cerebral artery, respectively. MR angiography is useful as the primary diagnostic tool for evaluating suspected intracranial steno-occlusive disease. 22 refs., 7 figs., 5 tabs.« less

Practical application to time indicator of a novel white film formed by interaction of calcium salts with hydroxypropyl methylcellulose.

PubMed

Shiraishi, Sumihiro; Sakata, Yukoh; Yamaguchi, Hiroyuki

2010-01-04

We have found that a cast film forms a white film when an aqueous solution comprising hydroxypropyl methylcellulose (HPMC) and calcium salts such as calcium lactate pentahydrate (CLP) and calcium chloride (CaCl(2)) is used. In contrast, the obtained white film was transformed into a transparent film by the addition of purified water. The transformation time for the change from the white film to the transparent film was dependent on film thickness. The relationship between the transformation time and the film thickness was significantly correlated, and it was found that the white film could be adaptable as time indicator. The formation of a white film comprising HPMC and calcium salts was strongly dependent on temperature conditions. The objective of the present study is to investigate the mechanism of the formation of this white film because of the interaction between HPMC and calcium salts. The DSC and XRPD results indicate that the calcium salts affect the HPMC polymer phase in the cast film comprising HPMC and calcium salts. By carrying out attenuated total reflection Fourier transform infrared (ATR FT-IR) analysis, we found that the white film could be formed by the calcium salts affecting the region associated with the C-O-C, C-O, and CH(3) stretching of the HPMC polymer phase.

Study on sampling of continuous linear system based on generalized Fourier transform

NASA Astrophysics Data System (ADS)

Li, Huiguang

2003-09-01

In the research of signal and system, the signal's spectrum and the system's frequency characteristic can be discussed through Fourier Transform (FT) and Laplace Transform (LT). However, some singular signals such as impulse function and signum signal don't satisfy Riemann integration and Lebesgue integration. They are called generalized functions in Maths. This paper will introduce a new definition -- Generalized Fourier Transform (GFT) and will discuss generalized function, Fourier Transform and Laplace Transform under a unified frame. When the continuous linear system is sampled, this paper will propose a new method to judge whether the spectrum will overlap after generalized Fourier transform (GFT). Causal and non-causal systems are studied, and sampling method to maintain system's dynamic performance is presented. The results can be used on ordinary sampling and non-Nyquist sampling. The results also have practical meaning on research of "discretization of continuous linear system" and "non-Nyquist sampling of signal and system." Particularly, condition for ensuring controllability and observability of MIMO continuous systems in references 13 and 14 is just an applicable example of this paper.

Structure in the 3D Galaxy Distribution. III. Fourier Transforming the Universe: Phase and Power Spectra

NASA Technical Reports Server (NTRS)

Scargle, Jeffrey D.; Way, M. J.; Gazis, P. G.

2017-01-01

We demonstrate the effectiveness of a relatively straightforward analysis of the complex 3D Fourier transform of galaxy coordinates derived from redshift surveys. Numerical demonstrations of this approach are carried out on a volume-limited sample of the Sloan Digital Sky Survey redshift survey. The direct unbinned transform yields a complex 3D data cube quite similar to that from the Fast Fourier Transform of finely binned galaxy positions. In both cases, deconvolution of the sampling window function yields estimates of the true transform. Simple power spectrum estimates from these transforms are roughly consistent with those using more elaborate methods. The complex Fourier transform characterizes spatial distributional properties beyond the power spectrum in a manner different from (and we argue is more easily interpreted than) the conventional multipoint hierarchy. We identify some threads of modern large-scale inference methodology that will presumably yield detections in new wider and deeper surveys.

Building a symbolic computer algebra toolbox to compute 2D Fourier transforms in polar coordinates

PubMed Central

Dovlo, Edem; Baddour, Natalie

2015-01-01

The development of a symbolic computer algebra toolbox for the computation of two dimensional (2D) Fourier transforms in polar coordinates is presented. Multidimensional Fourier transforms are widely used in image processing, tomographic reconstructions and in fact any application that requires a multidimensional convolution. By examining a function in the frequency domain, additional information and insights may be obtained. The advantages of our method include: • The implementation of the 2D Fourier transform in polar coordinates within the toolbox via the combination of two significantly simpler transforms. • The modular approach along with the idea of lookup tables implemented help avoid the issue of indeterminate results which may occur when attempting to directly evaluate the transform. • The concept also helps prevent unnecessary computation of already known transforms thereby saving memory and processing time. PMID:26150988

Performance of the Wavelet Decomposition on Massively Parallel Architectures

NASA Technical Reports Server (NTRS)

El-Ghazawi, Tarek A.; LeMoigne, Jacqueline; Zukor, Dorothy (Technical Monitor)

2001-01-01

Traditionally, Fourier Transforms have been utilized for performing signal analysis and representation. But although it is straightforward to reconstruct a signal from its Fourier transform, no local description of the signal is included in its Fourier representation. To alleviate this problem, Windowed Fourier transforms and then wavelet transforms have been introduced, and it has been proven that wavelets give a better localization than traditional Fourier transforms, as well as a better division of the time- or space-frequency plane than Windowed Fourier transforms. Because of these properties and after the development of several fast algorithms for computing the wavelet representation of any signal, in particular the Multi-Resolution Analysis (MRA) developed by Mallat, wavelet transforms have increasingly been applied to signal analysis problems, especially real-life problems, in which speed is critical. In this paper we present and compare efficient wavelet decomposition algorithms on different parallel architectures. We report and analyze experimental measurements, using NASA remotely sensed images. Results show that our algorithms achieve significant performance gains on current high performance parallel systems, and meet scientific applications and multimedia requirements. The extensive performance measurements collected over a number of high-performance computer systems have revealed important architectural characteristics of these systems, in relation to the processing demands of the wavelet decomposition of digital images.

Tests of various colorants for application of a Fourier transform infrared imaging system to deciphering obliterated writings

NASA Astrophysics Data System (ADS)

Sugawara, Shigeru

2015-10-01

Obliterated writing is writing that has been obscured by different-colored materials. There are obliterated writings that cannot be detected by conventional methods. A method for deciphering such obliterated writings was developed in this study. Mid-infrared spectroscopic imaging in the wavelength range of 2.5-14 μm was used for deciphering because the infrared spectrum differs among different brands of colorants. Obliterated writings were made by pressing information protection stamps onto characters written by 4 kinds of colorants. The samples were tested for deciphering by the Fourier-transform infrared imaging system. Two peak areas of two specific wavenumber regions of each reflectance spectrum were calculated and the ratio of the two values is displayed as a unique gray scale in the spectroscopic image. As a result, the absorption peak at various wavenumbers could be used to decipher obliterated writings that could not be detected by the conventional methods. Ten different parameters for deciphering obliterated writing were found in this study.

Fiber-optic Fourier transform infrared spectroscopy for remote label-free sensing of medical device surface contamination.

PubMed

Hassan, Moinuddin; Tan, Xin; Welle, Elissa; Ilev, Ilko

2013-05-01

As a potential major source of biochemical contamination, medical device surfaces are of critical safety concerns in the clinical practice and public health. The development of innovative sensing methods for accurate and real-time detection of medical device surface contamination is essential to protect patients from high risk infection. In this paper, we demonstrate an alternative fiber-optic Fourier Transform Infrared (FTIR) spectroscopy based sensing approach for remote, non-contact, and label-free detection of biochemical contaminants in the mid-infrared (mid-IR) region. The sensing probe is designed using mid-IR hollow fibers and FTIR measurements are carried out in reflection mode. Bovine Serum Albumin (BSA) and bacterial endotoxin of different concentrations under thoroughly dry condition are used to evaluate the detection sensitivity. The devised system can identify ≤0.0025% (≤4 × 10(11) molecules) BSA and 0.5% (0.5 EU/ml) endotoxin concentration. The developed sensing approach may be applied to detect various pathogens that pose public health threats.

Discrimination between Bacillus and Alicyclobacillus isolates in apple juice by Fourier transform infrared spectroscopy and multivariate analysis.

PubMed

Al-Holy, Murad A; Lin, Mengshi; Alhaj, Omar A; Abu-Goush, Mahmoud H

2015-02-01

Alicyclobacillus is a causative agent of spoilage in pasteurized and heat-treated apple juice products. Differentiating between this genus and the closely related Bacillus is crucially important. In this study, Fourier transform infrared spectroscopy (FT-IR) was used to identify and discriminate between 4 Alicyclobacillus strains and 4 Bacillus isolates inoculated individually into apple juice. Loading plots over the range of 1350 and 1700 cm(-1) reflected the most distinctive biochemical features of Bacillus and Alicyclobacillus. Multivariate statistical methods (for example, principal component analysis and soft independent modeling of class analogy) were used to analyze the spectral data. Distinctive separation of spectral samples was observed. This study demonstrates that FT-IR spectroscopy in combination with multivariate analysis could serve as a rapid and effective tool for fruit juice industry to differentiate between Bacillus and Alicyclobacillus and to distinguish between species belonging to these 2 genera. © 2015 Institute of Food Technologists®

An empirical evaluation of three vibrational spectroscopic methods for detection of aflatoxins in maize.

PubMed

Lee, Kyung-Min; Davis, Jessica; Herrman, Timothy J; Murray, Seth C; Deng, Youjun

2015-04-15

Three commercially available vibrational spectroscopic techniques, including Raman, Fourier transform near infrared reflectance (FT-NIR), and Fourier transform infrared (FTIR) were evaluated to help users determine the spectroscopic method best suitable for aflatoxin analysis in maize (Zea mays L.) grain based on their relative efficiency and predictive ability. Spectral differences of Raman and FTIR spectra were more marked and pronounced among aflatoxin contamination groups than those of FT-NIR spectra. From the observations and findings in our current and previous studies, Raman and FTIR spectroscopic methods are superior to FT-NIR method in terms of predictive power and model performance for aflatoxin analysis and they are equally effective and accurate in predicting aflatoxin concentration in maize. The present study is considered as the first attempt to assess how spectroscopic techniques with different physical processes can influence and improve accuracy and reliability for rapid screening of aflatoxin contaminated maize samples. Copyright © 2014 Elsevier Ltd. All rights reserved.

A Discussion of Using a Reconfigurable Processor to Implement the Discrete Fourier Transform

NASA Technical Reports Server (NTRS)

White, Michael J.

2004-01-01

This paper presents the design and implementation of the Discrete Fourier Transform (DFT) algorithm on a reconfigurable processor system. While highly applicable to many engineering problems, the DFT is an extremely computationally intensive algorithm. Consequently, the eventual goal of this work is to enhance the execution of a floating-point precision DFT algorithm by off loading the algorithm from the computing system. This computing system, within the context of this research, is a typical high performance desktop computer with an may of field programmable gate arrays (FPGAs). FPGAs are hardware devices that are configured by software to execute an algorithm. If it is desired to change the algorithm, the software is changed to reflect the modification, then download to the FPGA, which is then itself modified. This paper will discuss methodology for developing the DFT algorithm to be implemented on the FPGA. We will discuss the algorithm, the FPGA code effort, and the results to date.

Fiber-optic Fourier transform infrared spectroscopy for remote label-free sensing of medical device surface contamination

NASA Astrophysics Data System (ADS)

Hassan, Moinuddin; Tan, Xin; Welle, Elissa; Ilev, Ilko

2013-05-01

As a potential major source of biochemical contamination, medical device surfaces are of critical safety concerns in the clinical practice and public health. The development of innovative sensing methods for accurate and real-time detection of medical device surface contamination is essential to protect patients from high risk infection. In this paper, we demonstrate an alternative fiber-optic Fourier Transform Infrared (FTIR) spectroscopy based sensing approach for remote, non-contact, and label-free detection of biochemical contaminants in the mid-infrared (mid-IR) region. The sensing probe is designed using mid-IR hollow fibers and FTIR measurements are carried out in reflection mode. Bovine Serum Albumin (BSA) and bacterial endotoxin of different concentrations under thoroughly dry condition are used to evaluate the detection sensitivity. The devised system can identify ≤0.0025% (≤4 × 1011 molecules) BSA and 0.5% (0.5 EU/ml) endotoxin concentration. The developed sensing approach may be applied to detect various pathogens that pose public health threats.

Realistic Analytical Polyhedral MRI Phantoms

PubMed Central

Ngo, Tri M.; Fung, George S. K.; Han, Shuo; Chen, Min; Prince, Jerry L.; Tsui, Benjamin M. W.; McVeigh, Elliot R.; Herzka, Daniel A.

2015-01-01

Purpose Analytical phantoms have closed form Fourier transform expressions and are used to simulate MRI acquisitions. Existing 3D analytical phantoms are unable to accurately model shapes of biomedical interest. It is demonstrated that polyhedral analytical phantoms have closed form Fourier transform expressions and can accurately represent 3D biomedical shapes. Theory The derivations of the Fourier transform of a polygon and polyhedron are presented. Methods The Fourier transform of a polyhedron was implemented and its accuracy in representing faceted and smooth surfaces was characterized. Realistic anthropomorphic polyhedral brain and torso phantoms were constructed and their use in simulated 3D/2D MRI acquisitions was described. Results Using polyhedra, the Fourier transform of faceted shapes can be computed to within machine precision. Smooth surfaces can be approximated with increasing accuracy by increasing the number of facets in the polyhedron; the additional accumulated numerical imprecision of the Fourier transform of polyhedra with many faces remained small. Simulations of 3D/2D brain and 2D torso cine acquisitions produced realistic reconstructions free of high frequency edge aliasing as compared to equivalent voxelized/rasterized phantoms. Conclusion Analytical polyhedral phantoms are easy to construct and can accurately simulate shapes of biomedical interest. PMID:26479724

A Comparison of Optical versus Hardware Fourier Transforms.

DTIC Science & Technology

1983-10-31

AD- R136 223 A COMPRISON’OF OPTICAL ERSUS HARDWARE FOURIER i/i.TRANSFORMS(U) VIRGINIA POLYTECHNIC INST AND STATE UNIV BLACKSBURG DEPT OF PHYSICS S P...transform and its inverse filtered Fourier transform obtained with the Digital Image Processing (DIP) hardware system located at the School of Aerospace...transparencies, and provided to us by Dr. Ralph G. Allen, Director of the Laser Effects Branch (Division of Radiation Sciences). The DIP system consisted of: an

Fourier analysis and signal processing by use of the Moebius inversion formula

NASA Technical Reports Server (NTRS)

Reed, Irving S.; Yu, Xiaoli; Shih, Ming-Tang; Tufts, Donald W.; Truong, T. K.

1990-01-01

A novel Fourier technique for digital signal processing is developed. This approach to Fourier analysis is based on the number-theoretic method of the Moebius inversion of series. The Fourier transform method developed is shown also to yield the convolution of two signals. A computer simulation shows that this method for finding Fourier coefficients is quite suitable for digital signal processing. It competes with the classical FFT (fast Fourier transform) approach in terms of accuracy, complexity, and speed.

Partial differential equation transform — Variational formulation and Fourier analysis

PubMed Central

Wang, Yang; Wei, Guo-Wei; Yang, Siyang

2011-01-01

Nonlinear partial differential equation (PDE) models are established approaches for image/signal processing, data analysis and surface construction. Most previous geometric PDEs are utilized as low-pass filters which give rise to image trend information. In an earlier work, we introduced mode decomposition evolution equations (MoDEEs), which behave like high-pass filters and are able to systematically provide intrinsic mode functions (IMFs) of signals and images. Due to their tunable time-frequency localization and perfect reconstruction, the operation of MoDEEs is called a PDE transform. By appropriate selection of PDE transform parameters, we can tune IMFs into trends, edges, textures, noise etc., which can be further utilized in the secondary processing for various purposes. This work introduces the variational formulation, performs the Fourier analysis, and conducts biomedical and biological applications of the proposed PDE transform. The variational formulation offers an algorithm to incorporate two image functions and two sets of low-pass PDE operators in the total energy functional. Two low-pass PDE operators have different signs, leading to energy disparity, while a coupling term, acting as a relative fidelity of two image functions, is introduced to reduce the disparity of two energy components. We construct variational PDE transforms by using Euler-Lagrange equation and artificial time propagation. Fourier analysis of a simplified PDE transform is presented to shed light on the filter properties of high order PDE transforms. Such an analysis also offers insight on the parameter selection of the PDE transform. The proposed PDE transform algorithm is validated by numerous benchmark tests. In one selected challenging example, we illustrate the ability of PDE transform to separate two adjacent frequencies of sin(x) and sin(1.1x). Such an ability is due to PDE transform’s controllable frequency localization obtained by adjusting the order of PDEs. The frequency selection is achieved either by diffusion coefficients or by propagation time. Finally, we explore a large number of practical applications to further demonstrate the utility of proposed PDE transform. PMID:22207904

Double Fourier analysis for Emotion Identification in Voiced Speech

NASA Astrophysics Data System (ADS)

Sierra-Sosa, D.; Bastidas, M.; Ortiz P., D.; Quintero, O. L.

2016-04-01

We propose a novel analysis alternative, based on two Fourier Transforms for emotion recognition from speech. Fourier analysis allows for display and synthesizes different signals, in terms of power spectral density distributions. A spectrogram of the voice signal is obtained performing a short time Fourier Transform with Gaussian windows, this spectrogram portraits frequency related features, such as vocal tract resonances and quasi-periodic excitations during voiced sounds. Emotions induce such characteristics in speech, which become apparent in spectrogram time-frequency distributions. Later, the signal time-frequency representation from spectrogram is considered an image, and processed through a 2-dimensional Fourier Transform in order to perform the spatial Fourier analysis from it. Finally features related with emotions in voiced speech are extracted and presented.

Separation of Migration and Tomography Modes of Full-Waveform Inversion in the Plane Wave Domain

NASA Astrophysics Data System (ADS)

Yao, Gang; da Silva, Nuno V.; Warner, Michael; Kalinicheva, Tatiana

2018-02-01

Full-waveform inversion (FWI) includes both migration and tomography modes. The migration mode acts like a nonlinear least squares migration to map model interfaces with reflections, while the tomography mode behaves as tomography to build a background velocity model. The migration mode is the main response of inverting reflections, while the tomography mode exists in response to inverting both the reflections and refractions. To emphasize one of the two modes in FWI, especially for inverting reflections, the separation of the two modes in the gradient of FWI is required. Here we present a new method to achieve this separation with an angle-dependent filtering technique in the plane wave domain. We first transform the source and residual wavefields into the plane wave domain with the Fourier transform and then decompose them into the migration and tomography components using the opening angles between the transformed source and residual plane waves. The opening angles close to 180° contribute to the tomography component, while the others correspond to the migration component. We find that this approach is very effective and robust even when the medium is relatively complicated with strong lateral heterogeneities, highly dipping reflectors, and strong anisotropy. This is well demonstrated by theoretical analysis and numerical tests with a synthetic data set and a field data set.

Rapid update of discrete Fourier transform for real-time signal processing

NASA Astrophysics Data System (ADS)

Sherlock, Barry G.; Kakad, Yogendra P.

2001-10-01

In many identification and target recognition applications, the incoming signal will have properties that render it amenable to analysis or processing in the Fourier domain. In such applications, however, it is usually essential that the identification or target recognition be performed in real time. An important constraint upon real-time processing in the Fourier domain is the time taken to perform the Discrete Fourier Transform (DFT). Ideally, a new Fourier transform should be obtained after the arrival of every new data point. However, the Fast Fourier Transform (FFT) algorithm requires on the order of N log2 N operations, where N is the length of the transform, and this usually makes calculation of the transform for every new data point computationally prohibitive. In this paper, we develop an algorithm to update the existing DFT to represent the new data series that results when a new signal point is received. Updating the DFT in this way uses less computational order by a factor of log2 N. The algorithm can be modified to work in the presence of data window functions. This is a considerable advantage, because windowing is often necessary to reduce edge effects that occur because the implicit periodicity of the Fourier transform is not exhibited by the real-world signal. Versions are developed in this paper for use with the boxcar window, the split triangular, Hanning, Hamming, and Blackman windows. Generalization of these results to 2D is also presented.

Infrared and Raman spectroscopic methods for characterization of Taxus baccata L.--Improved taxane isolation by accelerated quality control and process surveillance.

PubMed

Gudi, Gennadi; Krähmer, Andrea; Koudous, Iraj; Strube, Jochen; Schulz, Hartwig

2015-10-01

Different yew species contain poisonous taxane alkaloids which serve as resources for semi-synthesis of anticancer drugs. The highly variable amounts of taxanes demand new methods for fast characterization of the raw plant material and the isolation of the target structures during phyto extraction. For that purpose, applicability of different vibrational spectroscopy methods in goods receipt of raw plant material and in process control was investigated and demonstrated in online tracking isolation and purification of the target taxane 10-deacetylbaccatin III (10-DAB) during solvent extraction. Applying near (NIRS) and mid infrared spectroscopy (IRS) the amount of botanical impurities in mixed samples of two different yew species (R(2)=0.993), the leave-to-wood ratio for Taxus baccata material (R(2)=0.94) and moisture in dried yew needles (R(2)=0.997) can be quantified. By partial least square analysis (PCA) needles of different Coniferales species were successfully discriminated by Attenuated Total Reflectance-Fourier-Transform Infrared Spectroscopy (ATR-FT-IR). The analytical potential of ATR-FT-IR and Fourier Transform-Raman Spectroscopy (FT-RS) in process control of extraction and purification of taxanes is demonstrated for determination of the water content in methanolic yew extracts (R(2)=0.999) and for quantification of 10-DAB (R(2)=0.98) on a highly sophisticated level. The decrease of 10-DAB in the plant tissue during extraction was successfully visualized by FT-IR imaging of thin cross sections providing new perspectives for process control and design. Copyright © 2015 Elsevier B.V. All rights reserved.

XNBR-grafted halloysite nanotube core-shell as a potential compatibilizer for immiscible polymer systems

NASA Astrophysics Data System (ADS)

Paran, S. M. R.; Naderi, G.; Ghoreishy, M. H. R.

2016-09-01

Halloysite nanotubes (HNTs) grafted with carboxylated nitrile byutadiene rubber (XNBR) were synthesized via a sol-gel method. The HNTs as an inorganic cores were pre-treated with 3-Glycidoxypropyl trimethoxysilane, then successfully coated with the XNBR as an organic shell. The properties of XNBR-grafted HNTs were characterized by transmission electron microscopy (TEM), Fourier transform infrared spectroscopy (FTIR), attenuated total reflection Fourier transform infrared spectroscopy (ATR-FTIR), X-ray diffraction (XRD) and X-ray photoelectron spectroscopy (XPS). The results suggested that the XNBR grafted to the surfaces of HNTs successfully. Then the TPE nanocomposites based on polyamide-6 (PA6) and nitrile butadiene rubber (NBR) containing various XNBR-grafted and pristine HNTs were prepared via a direct melt mixing method. The morphology, mechanical, dynamic mechanical and rheological properties of the prepared TPE nanocomposites were investigated. The results show that the XNBR-grafted HNTs can effectively improve the morphology and mechanical properties of the PA6/NBR TPEs. The morphology study of the prepared nanocomposites show that the effect of XNBR-grafted HNTs on the size reduction of NBR phase is markedly more effective than the pristine HNTs and rose by 50% in the same concentrations. Mechanical measurements show that the Young's modulus of the TPE nanocomposites rose by 60% in just 7 wt% of XNBR-grafted HNT loading. The results indicate that the introduction of HNT/XNBR core-shells into the PA6/NBR TPEs can enhances the interfacial interactions and provides a more fine rubber phase morphology and controlled mechanical properties in comparison with the accordingly TPE nanocomposites containing pristine HNTs.

Nucleation and Growth of Insulin Fibrils in Bulk Solution and at Hydrophobic Polystyrene Surfaces

PubMed Central

Smith, M. I.; Sharp, J. S.; Roberts, C. J.

2007-01-01

A technique was developed for studying the nucleation and growth of fibrillar protein aggregates. Fourier transform infrared and attenuated total reflection spectroscopy were used to measure changes in the intermolecular β-sheet content of bovine pancreatic insulin in bulk solution and on model polystyrene (PS) surfaces at pH 1. The kinetics of β-sheet formation were shown to evolve in two stages. Combined Fourier transform infrared, dynamic light scattering, atomic force microscopy, and thioflavin-T fluorescence measurements confirmed that the first stage in the kinetics was related to the formation of nonfibrillar aggregates that have a radius of 13 ± 1 nm. The second stage was found to be associated with the growth of insulin fibrils. The β-sheet kinetics in this second stage were used to determine the nucleation and growth rates of fibrils over a range of temperatures between 60°C and 80°C. The nucleation and growth rates were shown to display Arrhenius kinetics, and the associated energy barriers were extracted for fibrils formed in bulk solution and at PS surfaces. These experiments showed that fibrils are nucleated more quickly in the presence of hydrophobic PS surfaces but that the corresponding fibril growth rates decrease. These observations are interpreted in terms of the differences in the attempt frequencies and energy barriers associated with the nucleation and growth of fibrils. They are also discussed in the context of differences in protein concentration, mobility, and conformational and colloidal stability that exist between insulin molecules in bulk solution and those that are localized at hydrophobic PS interfaces. PMID:17496011

Abiotic degradation of glyphosate into aminomethylphosphonic acid in the presence of metals.

PubMed

Ascolani Yael, J; Fuhr, J D; Bocan, G A; Daza Millone, A; Tognalli, N; Dos Santos Afonso, M; Martiarena, M L

2014-10-08

Glyphosate [N-phosphono-methylglycine (PMG)] is the most used herbicide worldwide, particularly since the development of transgenic glyphosate-resistant (GR) crops. Aminomethylphosphonic acid (AMPA) is the main glyphosate metabolite, and it may be responsible for GR crop damage upon PMG application. PMG degradation into AMPA has hitherto been reckoned mainly as a biological process, produced by soil microorganisms (bacteria and fungi) and plants. In this work, we use density functional calculations to identify the vibrational bands of PMG and AMPA in surface-enhanced Raman spectroscopy (SERS) and attenuated total reflectance Fourier transform infrared (ATR-FTIR) spectra experiments. SERS shows the presence of AMPA after glyphosate is deposited from aqueous solution on different metallic surfaces. AMPA is also detected in ATR-FTIR experiments when PMG interacts with metallic ions in aqueous solution. These results reveal an abiotic degradation process of glyphosate into AMPA, where metals play a crucial role.

On the anomalous adsorption of [Pd(edta)]2- at the water/Goethite interface: spectroscopic evidence for two types of surface complexes.

PubMed

Kaplun, Marina; Nordin, Agneta; Persson, Per

2008-01-15

The structure of palladium(II) ethylenediaminetetraacetate (edta) in aqueous solutions and its adsorption on the surface of goethite (alpha-FeOOH) were studied using extended X-ray absorption fine structure spectroscopy and attenuated total reflection Fourier transform infrared spectroscopy. The obtained results show that in aqueous solutions, Pd-edta exists as a 1:1 complex, [Pd(edta)]2-, with edta acting as a quadridentate ligand. On the surface of goethite, [Pd(edta)]2- forms two different types of complexes over a pH range of 3.40-8.12. At pH < 5, [Pd(edta)]2- adsorbs as an outer-sphere species with possible hydrogen bonding. At higher pH values, the formation of inner-sphere complexes of the cation-type sets in after a cleavage of one glycinate ring and the formation of an (edta)Pd-O-Fe linkage.

Effect of epoxidation on 30% poly(methyl methacrylate)-grafted natural rubber polymer electrolytes

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

Nazir, Khuzaimah; Aziz, Ahmad Fairoz; Adam, Nurul Ilham

Epoxidized 30% poly(methyl methacrylate)-grafted natural rubber (EMG 30) as a polymer host in solid polymer electrolytes (SPEs) has been investigated. EMG30 was synthesized via performicepoxidation method onto 30% poly(methyl methacrylate)-grafted natural rubber (MG30) and the formations of epoxy group were discussed. The EMG30 were characterized by proton nuclear magnetic resonance ({sup 1}HNMR) to investigate their chemical structure and differential scanning calorimeter to determine their crystallinity. A new peak in {sup 1}HNMR spectra (2.71 ppm) confirmed the appearance of epoxy group. SPE based on EMG30 doped with 40 wt% LiCF{sub 3}SO{sub 3} show the highest conductivity. The complexation between EMG30 and LiCF{submore » 3}SO{sub 3} were confirmed by attenuated total reflection Fourier transform infrared (ATR-FTIR)« less

Effect of bentonite modification on hardness and mechanical properties of natural rubber nanocomposites

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

Santiago, Denise Ester O.; Department of Chemical Engineering, University of the Philippines, Los Baños, College, Laguna 4031 Philippines; Pajarito, Bryan B.

The effect of sodium activation, ion-exchange with tertiary amine salt, surface treatment with non-ionic surfactant, and wet grinding of bentonite on hardness and mechanical properties of natural rubber nanocomposites (NRN) was studied using full factorial design of experiment. Results of X-ray diffraction (XRD) show increase in basal spacing d of bentonite due to modification, while attenuated total reflectance Fourier transform infrared spectroscopy (ATR-FTIR) confirm the organic modification of bentonite. Analysis of variance (ANOVA) shows that the main effect of surface treatment increases the hardness and decreases the tensile modulus of the NRN. The surface treatment and wet grinding of bentonitemore » decrease the tensile stresses at 100, 200 and 300% strain of NRN. Sodium activation and ion-exchange negatively affect the compressive properties, while surface treatment significantly improves the compressive properties of NRN.« less

Understanding the influences of different pretreatments on recalcitrance of Populus natural variants

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

Yao, Lan; Yang, Haitao; Yoo, Chang Geun

Here, four different pretreatment technologies were applied to two Populus natural variants and the effects of each pretreatment on glucose release were compared. Physicochemical properties of pretreated biomass were analyzed by attenuated total reflection Fourier transform infrared spectroscopy, gel permeation chromatography, and cross polarization/magic angle spinning carbon-13 nuclear magnetic resonance techniques. The results revealed that hemicellulose and lignin were removed to different extents during various pretreatments. The degree of polymerization of cellulose was decreased in the order of alkali > hydrothermal > organosolv > dilute acid pretreatment. Cellulose crystallinity index was slightly increased after each pretreatment. The results also demonstratedmore » that organosolv pretreatment resulted in the highest glucose yield. Among the tested properties of Populus, degree of polymerization of cellulose was negatively correlated with glucose release, whereas hemicellulose and lignin removal, and cellulose accessibility were positively associated with glucose release from the two Populus natural variants.« less

Visible-Light Initiated Free-Radical/Cationic Ring-Opening Hybrid Photopolymerization of Methacrylate/Epoxy: Polymerization Kinetics, Crosslinking Structure, and Dynamic Mechanical Properties.

PubMed

Ge, Xueping; Ye, Qiang; Song, Linyong; Misra, Anil; Spencer, Paulette

2015-04-01

The effects of polymerization kinetics and chemical miscibility on the crosslinking structure and mechanical properties of polymers cured by visible-light initiated free-radical/cationic ring-opening hybrid photopolymerization are determined. A three-component initiator system is used and the monomer system contains methacrylates and epoxides. The photopolymerization kinetics is monitored in situ by Fourier transform infrared-attenuated total reflectance. The crosslinking structure is studied by modulated differential scanning calorimetry and dynamic mechanical analysis. X-ray microcomputed tomography is used to evaluate microphase separation. The mechanical properties of polymers formed by hybrid formed by free-radical polymerization. These investigations mark the first time that the benefits of the chain transfer reaction between epoxy and hydroxyl groups of methacrylate, on the crosslinking network and microphase separation during hybrid visible-light initiated photopolymerization, have been determined.

Aqueous infrared carboxylate absorbances: Aliphatic di-acids

USGS Publications Warehouse

Cabaniss, S.E.; Leenheer, J.A.; McVey, I.F.

1998-01-01

Aqueous attenuated total reflectance Fourier transform infrared (ATR-FTIR) spectra of 18 aliphatic di-carboxylic acids are reported as a function of pH. The spectra show isosbestic points and intensity changes which indicate that Beer's law is obeyed, and peak frequencies lie within previously reported ranges for aqueous carboxylates and pure carboxylic acids. Intensity sharing from the symmetric carboxylate stretch is evident in many cases, so that bands which are nominally due to alkyl groups show increased intensity at higher pH. The asymmetric stretch of the HA- species is linearly related to the microscopic acidity constant of the H2A species, with ??pK 2 intervening atoms). The results suggest that aqueous ATR-FTIR may be able to estimate 'intrinsic' pKa values of carboxylic acids, in addition to providing quantitative estimates of ionization. ?? 1998 Elsevier Science B.V. All rights reserved.

Data for effects of lanthanum complex on the thermo-oxidative aging of natural rubber.

PubMed

Zheng, Wei; Liu, Li; Zhao, Xiuying; He, Jingwei; Wang, Ao; Chan, Tung W; Wu, Sizhu

2015-12-01

Novel mixed antioxidants composed of antioxidant IPPD and lanthanum (La) complex were added as a filler to form natural rubber (NR) composites. By mechanical testing, Fourier transform infrared spectroscopy with attenuated total reflectance (FTIR-ATR) and thermogravimetric analysis (TGA), a string of data, including the mechanical properties, the variation of internal groups and the thermal and thermo-oxidative decompositions of NR, was presented in this data article. The data accompanying its research article [1] studied the thermo-oxidative aging properties of NR in detail. The density function theoretical (DFT) calculations were also used as an assistant to study the thermo-oxidative aging mechanism of NR. The data revealed that this new rare-earth antioxidant could indeed enhance the thermo-oxidative aging resistance of NR, which is associated with its different function mechanism from that of the pure antioxidant IPPD.

3D silicone rubber interfaces for individually tailored implants.

PubMed

Stieghorst, Jan; Bondarenkova, Alexandra; Burblies, Niklas; Behrens, Peter; Doll, Theodor

2015-01-01

For the fabrication of customized silicone rubber based implants, e.g. cochlear implants or electrocortical grid arrays, it is required to develop high speed curing systems, which vulcanize the silicone rubber before it runs due to a heating related viscosity drop. Therefore, we present an infrared radiation based cross-linking approach for the 3D-printing of silicone rubber bulk and carbon nanotube based silicone rubber electrode materials. Composite materials were cured in less than 120 s and material interfaces were evaluated with scanning electron microscopy. Furthermore, curing related changes in the mechanical and cell-biological behaviour were investigated with tensile and WST-1 cell biocompatibility tests. The infrared absorption properties of the silicone rubber materials were analysed with fourier transform infrared spectroscopy in transmission and attenuated total reflection mode. The heat flux was calculated by using the FTIR data, emissivity data from the infrared source manufacturer and the geometrical view factor of the system.

Influence of beta-radiation sterilisation in properties of new chitosan/soybean protein isolate membranes for guided bone regeneration.

PubMed

Silva, R M; Elvira, C; Mano, J F; San Román, J; Reis, R L

2004-04-01

Novel chitosan (cts) and soybean protein isolate (SI) blended membranes were prepared. These membranes were produced by solvent casting. Besides combining the advantages of both materials, cts/SI membranes exhibit a biphasic structure that will eventually originate in situ porous formation, through a two-step degradation mechanism. In this particular work the effect of beta-radiation over the properties of these membranes was evaluated. beta-radiation sterilisation was performed at three different doses (25, 50 and 100 kGy) and eventual surface chemical changes were evaluated by Fourier transformed infrared--with attenuated total reflection and contact angle measurements. Moreover, eventual bulk properties changes due to beta-radiation were assessed by means of mechanical tensile tests and water uptake measurements. In general, no substantial changes were detected on the studied properties, with the exception of the surface energy that was found to be slightly increased for higher applied doses.

Surface modification of a polyethylene film for anticoagulant and anti-microbial catheter

PubMed Central

Zheng, Yingying; Miao, Jianjun; Zhang, Fuming; Cai, Chao; Koh, Amanda; Simmons, Trevor J.; Mousa, Shaker A.; Linhardt, Robert J.

2016-01-01

A functional anticoagulant and anti-bacterial coating for polyethylene (PE) films is described. The stepwise preparation of this nanocomposite surface coating involves O2 plasma etching of PE film, carbodiimide coupling of cysteamine to the etched PE film, binding of Ag to sulfhydryl groups of cysteamine, and assembly of heparin capped AgNPs on the PE film. The nanocomposite film and its components were characterized by 1H-nuclear magnetic resonance spectroscopy, attenuated total reflectance-Fourier transform infrared spectroscopy, X-ray photoelectron spectroscopy, and field emission-scanning electron microscopy. The resulting PE films demonstrate anticoagulant activity using a hemoglobin whole blood clotting assay, and anti-bacterial activity against Bacillus cereus 3551 (Gram-positive) and Escherichia coli BL21 (Gram-negative) bacteria. The hydrophilicity of the heparin coated PE was determined by contact angle measurements; and the stability of the nanocomposite film, with respect to Ag leaching, was assessed by atomic absorption spectroscopy. PMID:26900340

Non-Equilibrium Water-Glassy Polymer Dynamics

NASA Astrophysics Data System (ADS)

Davis, Eric; Minelli, Matteo; Baschetti, Marco; Sarti, Giulio; Elabd, Yossef

2012-02-01

For many applications (e.g., medical implants, packaging), an accurate assessment and fundamental understanding of the dynamics of water-glassy polymer interactions is of great interest. In this study, sorption and diffusion of pure water in several glassy polymers films, such as poly(styrene) (PS), poly(methyl methacrylate) (PMMA), poly(lactide) (PLA), were measured over a wide range of vapor activities and temperatures using several experimental techniques, including quartz spring microbalance (QSM), quartz crystal microbalance (QCM), and time-resolved Fourier transform infrared-attenuated total reflectance (FTIR-ATR) spectroscopy. Non-Fickian behavior (diffusion-relaxation phenomena) was observed by all three techniques, while FTIR-ATR spectroscopy also provides information about the distribution of the states of water and water transport mechanisms on a molecular-level. Specifically, the states of water are significantly different in PS compared to PMMA and PLA. Additionally, a purely predictive non-equilibrium lattice fluid (NELF) model was applied to predict the sorption isotherms of water in these glassy polymers.

Controlled release of mitomycin C from PHEMAH-Cu(II) cryogel membranes.

PubMed

Bakhshpour, Monireh; Yavuz, Handan; Denizli, Adil

2018-02-19

Molecular imprinting technique was used for the preparation of antibiotic and anti-neoplastic chemotherapy drug (mitomycin C) imprinted cryogel membranes (MMC-ICM). The membranes were synthezied by using metal ion coordination interactions with N-methacryloyl-(l)-histidine methyl ester (MAH) functional monomer and template molecules (i.e. MMC). The 2-hydroxyethyl methacrylate (HEMA) monomer and methylene bisacrylamide (MBAAm) crosslinker were used for the preparation of mitomycin C imprinted cryogel membranes by radical suspension polymerization technique. The imprinted cryogel membranes were characterized by scanning electron microscopy (SEM), Brunauer-Emmett-Teller (BET), Fourier transform infrared spectroscopy-attenuated total reflectance (FTIR-ATR) and swelling degree measurements. Cytotoxicity of MMC-ICMs was investigated using mouse fibroblast cell line L929. Time-dependent release of MMC was demonstrated within 150 h from cryogel membranes. Cryogels demonstrated very high MMC loading efficiency (70-80%) and sustained MMC release over hours.

Alendronate-Eluting Biphasic Calcium Phosphate (BCP) Scaffolds Stimulate Osteogenic Differentiation

PubMed Central

Kim, Sung Eun; Lee, Deok-Won; Kang, Eun Young; Jeong, Won Jae; Lee, Boram; Jeong, Myeong Seon; Kim, Hak Jun; Park, Kyeongsoon; Song, Hae-Ryong

2015-01-01

Biphasic calcium phosphate (BCP) scaffolds have been widely used in orthopedic and dental fields as osteoconductive bone substitutes. However, BCP scaffolds are not satisfactory for the stimulation of osteogenic differentiation and maturation. To enhance osteogenic differentiation, we prepared alendronate- (ALN-) eluting BCP scaffolds. The coating of ALN on BCP scaffolds was confirmed by scanning electron microscopy (FE-SEM), energy-dispersive X-ray spectroscopy (EDS), and attenuated total reflectance-Fourier transform infrared spectroscopy (ATR-FTIR). An in vitro release study showed that release of ALN from ALN-eluting BCP scaffolds was sustained for up to 28 days. In vitro results revealed that MG-63 cells grown on ALN-eluting BCP scaffolds exhibited increased ALP activity and calcium deposition and upregulated gene expression of Runx2, ALP, OCN, and OPN compared with the BCP scaffold alone. Therefore, this study suggests that ALN-eluting BCP scaffolds have the potential to effectively stimulate osteogenic differentiation. PMID:26221587

Study of the surface activation of ETFE by low energy (keV) Si and N bombardment

NASA Astrophysics Data System (ADS)

Parada, M. A.; de Almeida, A.; Muntele, C.; Muntele, I.; Delalez, N.; Ila, D.

2005-12-01

The ethylenetetrafluoroethylene (ETFE) is a polymer formed by alternating ethylene and tetrafluoroethylene segments. It can be applied in the field of medical physics as intra venous catheters and as radiation dosimeters. The increasing application of polymeric materials in technological and scientific fields has motivated the use of surface treatments to modify the physical and chemical properties of polymer surfaces. When a material is exposed to ionizing radiation, it suffers damage leading to surface activation depending on the type, energy and intensity of the applied radiation. In order to determine the radiation damage and the surface activation mechanism ETFE films were bombarded with keV Si and N at various fluences. The bombarded film was also analyzed with optical absorption photospectrometry (OAP), Raman and Fourier transform infrared-attenuated total reflectance (FTIR-ATR) spectroscopy showing quantitatively the chemical nature at the damage caused by the Si and N bombardment.

Integrated Lloyd's mirror on planar waveguide facet as a spectrometer.

PubMed

Morand, Alain; Benech, Pierre; Gri, Martine

2017-12-10

A low-cost and simple Fourier transform spectrometer based on the Lloyd's mirror configuration is proposed in order to have a very stable interferogram. A planar waveguide coupled to a fiber injection is used to spatially disperse the optical beam. A second beam superposed to the previous one is obtained by a total reflection of the incident beam on a vertical glass face integrated in the chip by dicing with a specific circular precision saw. The interferogram at the waveguide output is imaged on a near-infrared camera with an objective lens. The contrast and the fringe period are thus dependent on the type and the fiber position and can be optimized to the pixel size and the length of the camera. Spectral resolution close to λ/Δλ=80 is reached with a camera with 320 pixels of 25 μm width in a wavelength range from O to L bands.

Investigation on the adsorption characteristics of sodium benzoate and taurine on gold nanoparticle film by ATR-FTIR spectroscopy

NASA Astrophysics Data System (ADS)

Kumar, Naveen; Thomas, S.; Tokas, R. B.; Kshirsagar, R. J.

2014-01-01

Fourier transform infrared (FTIR) spectroscopic studies of sodium benzoate and taurine adsorbed on gold nanoparticle (AuNp) film on silanised glass slides have been studied by attenuated total reflection technique (ATR). The surface morphology of the AuNp films has been measured by Atomic Force Microscopy. The ATR spectra of sodium benzoate and taurine deposited on AuNp film are compared with ATR spectra of their powdered bulk samples. A new red-shifted band appeared along with the symmetric and asymmetric stretches of carboxylate group of sodium benzoate leading to a broadening of the above peaks. Similar behavior is also seen in the case of symmetric and asymmetric stretches of sulphonate group of taurine. The results indicate presence of both chemisorbed and physisorbed layers of both sodium benzoate and taurine on the AuNp film with bottom layer chemically bound to AuNp through carboxylate and sulphonate groups respectively.

Cleaning efficacy of hydroxypropyl-beta-cyclodextrin for biofouling reduction on reverse osmosis membranes.

PubMed

Alayande, Abayomi Babatunde; Kim, Lan Hee; Kim, In S

2016-01-01

In this study, an environmentally friendly compound, hydroxypropyl-beta-cyclodextrin (HP-β-CD) was applied to clean reverse osmosis (RO) membranes fouled by microorganisms. The cleaning with HP-β-CD removed the biofilm and resulted in a flux recovery ratio (FRR) of 102%. As cleaning efficiency is sometimes difficult to determine using flux recovery data alone, attached bacterial cells and extracellular polymeric substances (EPS) were quantified after cleaning the biofouled membrane with HP-β-CD. Membrane surface characterization using scanning electron microscopy (SEM), attenuated total reflectance Fourier transform infrared (ATR-FTIR) and atomic force microscopy (AFM) confirmed the effectiveness of HP-β-CD in removal of biofilm from the RO membrane surface. Finally, a comparative study was performed to investigate the competitiveness of HP-β-CD with other known cleaning agents such as sodium dodecyl sulfate (SDS), ethylenediaminetetraacetic acid (EDTA), Tween 20, rhamnolipid, nisin, and surfactin. In all cases, HP-β-CD was superior.

Synthesis, Characterization, Topographical Modification, and Surface Properties of Copoly(Imide Siloxane)s

NASA Technical Reports Server (NTRS)

Wohl, Christopher J.; Atkins, Brad M.; Belcher, Marcus A.; Connell, John W.

2012-01-01

Novel copoly(imide siloxane)s were synthesized from commercially available aminopropyl terminated siloxane oligomers, aromatic dianhydrides, and diamines. This synthetic approach produced copolymers with well-defined siloxane blocks linked with imide units in a random fashion. The copoly(amide acid)s were characterized by solution viscosity and subsequently used to cast thin films followed by thermal imidization in an inert atmosphere. Thin films were characterized using contact angle goniometry, attenuated total reflection Fourier transform infrared spectroscopy, confocal and optical microscopy, and tensile testing. Adhesion of micronsized particles was determined quantitatively using a sonication device. The polydimethylsiloxane (PDMS) moieties lowered the copolymer surface energy due to migration of siloxane moieties to the film s surface, resulting in a notable reduction in particle adhesion. A further reduction in particle adhesion was achieved by introducing topographical features on a scale of several to tens of microns by a laser ablation technique.

Understanding the influences of different pretreatments on recalcitrance of Populus natural variants

DOE PAGES

Yao, Lan; Yang, Haitao; Yoo, Chang Geun; ...

2018-05-18

Here, four different pretreatment technologies were applied to two Populus natural variants and the effects of each pretreatment on glucose release were compared. Physicochemical properties of pretreated biomass were analyzed by attenuated total reflection Fourier transform infrared spectroscopy, gel permeation chromatography, and cross polarization/magic angle spinning carbon-13 nuclear magnetic resonance techniques. The results revealed that hemicellulose and lignin were removed to different extents during various pretreatments. The degree of polymerization of cellulose was decreased in the order of alkali > hydrothermal > organosolv > dilute acid pretreatment. Cellulose crystallinity index was slightly increased after each pretreatment. The results also demonstratedmore » that organosolv pretreatment resulted in the highest glucose yield. Among the tested properties of Populus, degree of polymerization of cellulose was negatively correlated with glucose release, whereas hemicellulose and lignin removal, and cellulose accessibility were positively associated with glucose release from the two Populus natural variants.« less

The toxicity of binary mixture of Cu (II) ion and phenols on Tetrahymena thermophila.

PubMed

Luo, Hui; Li, Xi; Fang, Tingting; Liu, Peng; Zhang, Chaocan; Xie, Hao; Sun, Enjie

2015-03-01

The toxicity of binary mixture of Cu(2+) and phenols (phenol; o-nitrophenol; m-nitrophenol; p-nitrophenol) was evaluated using Tetrahymena thermophila as the model organism, by microcalorimetry, optical density, field emission scanning electron microscope (FESEM) and attenuated total reflection-Fourier transform infrared spectroscopy (ATR-FTIR). The growth curves and metabolic properties of Tetrahymena exposed to Cu(2+) and phenols were monitored by microcalorimetry. Binary mixture toxicity changed with the concentration of Cu(2+)/phenols and the order of toxicity was Cu(2+)/phenol

The effect of ethanol concentration on the direct ethanol fuel cell performance and products distribution: A study using a single fuel cell/attenuated total reflectance - Fourier transform infrared spectroscopy

NASA Astrophysics Data System (ADS)

Assumpção, M. H. M. T.; Nandenha, J.; Buzzo, G. S.; Silva, J. C. M.; Spinacé, E. V.; Neto, A. O.; De Souza, R. F. B.

2014-05-01

The effect of ethanol concentration on the direct ethanol fuel cell (DEFC) performance and products distribution were studied in situ using a single fuel cell/ATR-FTIR setup. The experiments were performed at 80 °C using commercial Pt3Sn/C as anodic catalyst and the concentrations of ethanol solution were varied from 0.1 to 2.0 mol L-1. An increase in power density was observed with the increase of ethanol concentration to 1.0 mol L-1, while the band intensities analysis in the FTIR spectra revealed an increase of acetic acid/acetaldehyde ratio with the increase of ethanol concentration. Also, from FTIR spectra results, it could be concluded that the acetic acid production follow parallel mechanisms; that is, it does not require the presence of acetaldehyde as an intermediate.

The reuse of wastepaper for the extraction of cellulose nanocrystals.

PubMed

Danial, Wan Hazman; Abdul Majid, Zaiton; Mohd Muhid, Mohd Nazlan; Triwahyono, Sugeng; Bakar, Mohd Bakri; Ramli, Zainab

2015-03-15

The study reports on the preparation of cellulose nanocrystals (CNCs) from wastepaper, as an environmental friendly approach of source material, which can be a high availability and low-cost precursor for cellulose nanomaterial processing. Alkali and bleaching treatments were employed for the extraction of cellulose particles followed by controlled-conditions of acid hydrolysis for the isolation of CNCs. Attenuated total reflectance Fourier Transform Infrared (ATR FTIR) spectroscopy was used to analyze the cellulose particles extracted while Transmission electron microscopy images confirmed the presence of CNCs. The diameters of CNCs are in the range of 3-10nm with a length of 100-300nm while a crystallinity index of 75.9% was determined from X-ray diffraction analysis. The synthesis of this high aspect ratio of CNCs paves the way toward alternative reuse of wastepaper in the production of CNCs. Copyright © 2014 Elsevier Ltd. All rights reserved.

Application to Noninvasive Measurement of Blood Components Based on Infrared Spectroscopy

NASA Astrophysics Data System (ADS)

Tamura, Kazuto; Ishizawa, Hiroaki; Fujita, Keiichi; Kaneko, Wataru; Morikawa, Tomotaka; Toba, Eiji; Kobayashi, Hideo

Recently, lifestyle diseases (diabetics, hyperlipemia etc.) have been steadily increasing, because change of diet, lack of exercise, increase an alcoholic intake, and increase a stress. It is a matter of vital importance to us. About tens of millions of people in Japan have approached the danger of lifestyle diseases. So they have to do a blood test to make sure that they have controlled physical condition themselves. Therefore, they have to measure blood components again and again. So, they are burden too heavy. This paper describes a new noninvasive measurement of blood components based on optical sensing. This uses Fourier transform infrared spectroscopy of attenuated total reflection. In order to study, the influence of individual difference, the internal standard method was introduced. This paper describes the detail of the internal standard method and its effect to the blood components calibration. Significant improvement was obtained by using the internal standard.

Data for effects of lanthanum complex on the thermo-oxidative aging of natural rubber

PubMed Central

Zheng, Wei; Liu, Li; Zhao, Xiuying; He, Jingwei; Wang, Ao; Chan, Tung W.; Wu, Sizhu

2015-01-01

Novel mixed antioxidants composed of antioxidant IPPD and lanthanum (La) complex were added as a filler to form natural rubber (NR) composites. By mechanical testing, Fourier transform infrared spectroscopy with attenuated total reflectance (FTIR-ATR) and thermogravimetric analysis (TGA), a string of data, including the mechanical properties, the variation of internal groups and the thermal and thermo-oxidative decompositions of NR, was presented in this data article. The data accompanying its research article [1] studied the thermo-oxidative aging properties of NR in detail. The density function theoretical (DFT) calculations were also used as an assistant to study the thermo-oxidative aging mechanism of NR. The data revealed that this new rare-earth antioxidant could indeed enhance the thermo-oxidative aging resistance of NR, which is associated with its different function mechanism from that of the pure antioxidant IPPD. PMID:26693513

Beach macro-litter monitoring and floating microplastic in a coastal area of Indonesia.

PubMed

Syakti, Agung Dhamar; Bouhroum, Rafika; Hidayati, Nuning Vita; Koenawan, Chandra Joei; Boulkamh, Abdelaziz; Sulistyo, Isdy; Lebarillier, Stephanie; Akhlus, Syafsir; Doumenq, Pierre; Wong-Wah-Chung, Pascal

2017-09-15

Qualitative analysis of the structures of the polymers composing floating plastic debris was performed using attenuated total reflectance-Fourier transform infrared spectroscopy (ATR-FTIR), and the aging of the debris was assessed by measuring carbonyl group formation on the particle surfaces. Plastic material made up >75% of the 2313 items collected during a three-year survey. The size, shape and color of the microplastic were correlated with the polymer structure. The most abundant plastic materials were polypropylene (68%) and low-density polyethylene (11%), and the predominant colors of the plastics were white, blue and green. Cilacap Bay, Indonesia, was contaminated with microplastic at a concentration of 2.5mg·m 3 . The carbonyl index demonstrated that most of the floating microplastic was only slightly degraded. This study highlights the need to raise environmental awareness through citizen science education and adopting good environmental practices. Copyright © 2017 Elsevier Ltd. All rights reserved.

Construction of flame retardant nanocoating on ramie fabric via layer-by-layer assembly of carbon nanotube and ammonium polyphosphate.

PubMed

Zhang, Tao; Yan, Hongqiang; Peng, Mao; Wang, Lili; Ding, Hongliang; Fang, Zhengping

2013-04-07

A new flame retardant nanocoating has been constructed by the alternate adsorption of polyelectrolyte amino-functionalized multiwall carbon nanotube (MWNT-NH2) and ammonium polyphosphate (APP) onto flexible and porous ramie fabric. Scanning electron microscopy indicates that the adsorbed carbon nanotube coating is a randomly oriented and overlapped network structure, which is a promising candidate for flame retardancy applications. Attenuated total reflection Fourier transform infrared spectroscopy and energy-dispersive X-ray analysis confirm that the APP is successfully incorporated into the multilayers sequentially. Assessment of the thermal and flammability properties for the pristine and nanocoated ramie fabrics shows that the thermal stability, flame retardancy and residual char are enhanced as the concentration of MWNT-NH2 suspension and number of deposition cycles increases. The enhancements are mostly attributed to the barrier effect of intumescent network structure, which is composed of MWNT-NH2 and the absorbed APP.

Application of Fourier transform midinfrared spectroscopy to the discrimination between Irish artisanal honey and such honey adulterated with various sugar syrups.

PubMed

Kelly, J Daniel; Petisco, Cristina; Downey, Gerard

2006-08-23

A collection of authentic artisanal Irish honeys (n = 580) and certain of these honeys adulterated by fully inverted beet syrup (n = 280), high-fructose corn syrup (n = 160), partial invert cane syrup (n = 120), dextrose syrup (n = 160), and beet sucrose (n = 120) was assembled. All samples were adjusted to 70 degrees Bx and scanned in the midinfrared region (800-4000 cm(-1)) by attenuated total reflectance sample accessory. By use of soft independent modeling of class analogy (SIMCA) and partial least-squares (PLS) classification, authentic honey and honey adulterated by beet sucrose, dextrose syrups, and partial invert corn syrup could be identified with correct classification rates of 96.2%, 97.5%, 95.8%, and 91.7%, respectively. This combination of spectroscopic technique and chemometric methods was not able to unambiguously detect adulteration by high-fructose corn syrup or fully inverted beet syrup.

Potential of mid-infrared spectroscopy as a non-invasive diagnostic test in urine for endometrial or ovarian cancer.

PubMed

Paraskevaidi, Maria; Morais, Camilo L M; Lima, Kássio M G; Ashton, Katherine M; Stringfellow, Helen F; Martin-Hirsch, Pierre L; Martin, Francis L

2018-06-07

The current lack of an accurate, cost-effective and non-invasive test that would allow for screening and diagnosis of gynaecological carcinomas, such as endometrial and ovarian cancer, signals the necessity for alternative approaches. The potential of spectroscopic techniques in disease investigation and diagnosis has been previously demonstrated. Here, we used attenuated total reflection Fourier-transform infrared (ATR-FTIR) spectroscopy to analyse urine samples from women with endometrial (n = 10) and ovarian cancer (n = 10), as well as from healthy individuals (n = 10). After applying multivariate analysis and classification algorithms, biomarkers of disease were pointed out and high levels of accuracy were achieved for both endometrial (95% sensitivity, 100% specificity; accuracy: 95%) and ovarian cancer (100% sensitivity, 96.3% specificity; accuracy 100%). The efficacy of this approach, in combination with the non-invasive method for urine collection, suggest a potential diagnostic tool for endometrial and ovarian cancers.

Anti-Corrosion Performance of 1,3-BENZOTHIAZOLE on 410 Martensitic Stainless Steel in H2SO4

NASA Astrophysics Data System (ADS)

Loto, Roland Tolulope

The corrosion inhibition effect of synthesized 1,3-benzothiazole at very low concentrations on 410 martensitic stainless steel in 3MH2SO4 solution was studied through potentiodynamic polarization and weight loss measurements. The observation showed that the organic compound performed effectively with average inhibition efficiencies of 94% and 98% at the concentrations studied from both electrochemical methods due to the inhibition action of protonated inhibitor molecules in the acid solution. The amine and aromatics functional groups of the molecules active in the corrosion inhibition reaction were exposed from Attenuated total reflectance-Fourier transform infrared spectroscopy (ATR-FTIR) spectroscopic analysis. Thermodynamic calculations showed cationic adsorption to be chemisorption adsorption, obeying the Langmuir adsorption isotherm. Images from optical microscopy showed an improved morphology in comparison to images from corroded stainless steel. Severe surface deterioration and macro-pits were observed in the uninhibited samples.

Fourier transform-wavefront reconstruction for the pyramid wavefront sensor

NASA Astrophysics Data System (ADS)

Quirós-Pacheco, Fernando; Correia, Carlos; Esposito, Simone

The application of Fourier-transform reconstruction techniques to the pyramid wavefront sensor has been investigated. A preliminary study based on end-to-end simulations of an adaptive optics system with ≈40x40 subapertures and actuators shows that the performance of the Fourier-transform reconstructor (FTR) is of the same order of magnitude than the one obtained with a conventional matrix-vector multiply (MVM) method.

Polarization Ratio Determination with Two Identical Linearly Polarized Antennas

DTIC Science & Technology

2017-01-17

Fourier transform analysis of 21 measurements with one of the antennas rotating about its axis a circular polarization ratio is derived which can be...deter- mined directly from a discrete Fourier transform (DFT) of (5). However, leakage between closely spaced DFT bins requires improving the... Fourier transform and a mechanical antenna rotation to separate the principal and opposite circular polarization components followed by a basis

Generalized prolate spheroidal wave functions for optical finite fractional Fourier and linear canonical transforms.

PubMed

Pei, Soo-Chang; Ding, Jian-Jiun

2005-03-01

Prolate spheroidal wave functions (PSWFs) are known to be useful for analyzing the properties of the finite-extension Fourier transform (fi-FT). We extend the theory of PSWFs for the finite-extension fractional Fourier transform, the finite-extension linear canonical transform, and the finite-extension offset linear canonical transform. These finite transforms are more flexible than the fi-FT and can model much more generalized optical systems. We also illustrate how to use the generalized prolate spheroidal functions we derive to analyze the energy-preservation ratio, the self-imaging phenomenon, and the resonance phenomenon of the finite-sized one-stage or multiple-stage optical systems.

Polarized reflectance and transmittance properties of windblown sea surfaces.

PubMed

Mobley, Curtis D

2015-05-20

Generation of random sea surfaces using wave variance spectra and Fourier transforms is formulated in a way that guarantees conservation of wave energy and fully resolves wave height and slope variances. Monte Carlo polarized ray tracing, which accounts for multiple scattering between light rays and wave facets, is used to compute effective Mueller matrices for reflection and transmission of air- or water-incident polarized radiance. Irradiance reflectances computed using a Rayleigh sky radiance distribution, sea surfaces generated with Cox-Munk statistics, and unpolarized ray tracing differ by 10%-18% compared with values computed using elevation- and slope-resolving surfaces and polarized ray tracing. Radiance reflectance factors, as used to estimate water-leaving radiance from measured upwelling and sky radiances, are shown to depend on sky polarization, and improved values are given.

Theory and operational rules for the discrete Hankel transform.

PubMed

Baddour, Natalie; Chouinard, Ugo

2015-04-01

Previous definitions of a discrete Hankel transform (DHT) have focused on methods to approximate the continuous Hankel integral transform. In this paper, we propose and evaluate the theory of a DHT that is shown to arise from a discretization scheme based on the theory of Fourier-Bessel expansions. The proposed transform also possesses requisite orthogonality properties which lead to invertibility of the transform. The standard set of shift, modulation, multiplication, and convolution rules are derived. In addition to the theory of the actual manipulated quantities which stand in their own right, this DHT can be used to approximate the continuous forward and inverse Hankel transform in the same manner that the discrete Fourier transform is known to be able to approximate the continuous Fourier transform.

Sequential measurement of conjugate variables as an alternative quantum state tomography.

PubMed

Di Lorenzo, Antonio

2013-01-04

It is shown how it is possible to reconstruct the initial state of a one-dimensional system by sequentially measuring two conjugate variables. The procedure relies on the quasicharacteristic function, the Fourier transform of the Wigner quasiprobability. The proper characteristic function obtained by Fourier transforming the experimentally accessible joint probability of observing "position" then "momentum" (or vice versa) can be expressed as a product of the quasicharacteristic function of the two detectors and that unknown of the quantum system. This allows state reconstruction through the sequence (1) data collection, (2) Fourier transform, (3) algebraic operation, and (4) inverse Fourier transform. The strength of the measurement should be intermediate for the procedure to work.

Photonic fractional Fourier transformer with a single dispersive device.

PubMed

Cuadrado-Laborde, C; Carrascosa, A; Díez, A; Cruz, J L; Andres, M V

2013-04-08

In this work we used the temporal analog of spatial Fresnel diffraction to design a temporal fractional Fourier transformer with a single dispersive device, in this way avoiding the use of quadratic phase modulators. We demonstrate that a single dispersive passive device inherently provides the fractional Fourier transform of an incident optical pulse. The relationships linking the fractional Fourier transform order and scaling factor with the dispersion parameters are derived. We first provide some numerical results in order to prove the validity of our proposal, using a fiber Bragg grating as the dispersive device. Next, we experimentally demonstrate the feasibility of this proposal by using a spool of a standard optical fiber as the dispersive device.

Teaching Fourier optics through ray matrices

NASA Astrophysics Data System (ADS)

Moreno, I.; Sánchez-López, M. M.; Ferreira, C.; Davis, J. A.; Mateos, F.

2005-03-01

In this work we examine the use of ray-transfer matrices for teaching and for deriving some topics in a Fourier optics course, exploiting the mathematical simplicity of ray matrices compared to diffraction integrals. A simple analysis of the physical meaning of the elements of the ray matrix provides a fast derivation of the conditions to obtain the optical Fourier transform. We extend this derivation to fractional Fourier transform optical systems, and derive the order of the transform from the ray matrix. Some examples are provided to stress this point of view, both with classical and with graded index lenses. This formulation cannot replace the complete explanation of Fourier optics provided by the wave theory, but it is a complementary tool useful to simplify many aspects of Fourier optics and to relate them to geometrical optics.

Signal processing applications of massively parallel charge domain computing devices

NASA Technical Reports Server (NTRS)

Fijany, Amir (Inventor); Barhen, Jacob (Inventor); Toomarian, Nikzad (Inventor)

1999-01-01

The present invention is embodied in a charge coupled device (CCD)/charge injection device (CID) architecture capable of performing a Fourier transform by simultaneous matrix vector multiplication (MVM) operations in respective plural CCD/CID arrays in parallel in O(1) steps. For example, in one embodiment, a first CCD/CID array stores charge packets representing a first matrix operator based upon permutations of a Hartley transform and computes the Fourier transform of an incoming vector. A second CCD/CID array stores charge packets representing a second matrix operator based upon different permutations of a Hartley transform and computes the Fourier transform of an incoming vector. The incoming vector is applied to the inputs of the two CCD/CID arrays simultaneously, and the real and imaginary parts of the Fourier transform are produced simultaneously in the time required to perform a single MVM operation in a CCD/CID array.

Proposal of AAA-battery-size one-shot ATR Fourier spectroscopic imager for on-site analysis: Simultaneous measurement of multi-components with high accuracy

NASA Astrophysics Data System (ADS)

Hosono, Satsuki; Qi, Wei; Sato, Shun; Suzuki, Yo; Fujiwara, Masaru; Hiramatsu, Hiroyuki; Suzuki, Satoru; Abeygunawardhana, P. K. W.; Wada, Kenji; Nishiyama, Akira; Ishimaru, Ichiro

2015-03-01

For simultaneous measurement of multi-components on-site like factories, the ultra-compact (diameter: 9[mm], length: 45[mm], weight: 200[g]) one-shot ATR (Attenuated Total Reflection) Fourier spectroscopic imager was proposed. Because the proposed one-shot Fourier spectroscopic imaging is based on spatial-phase-shift interferometer, interferograms could be obtained with simple optical configurations. We introduced the transmission-type relativeinclined phase-shifter, that was constructed with a cuboid prism and a wedge prism, onto the optical Fourier transform plane of infinity corrected optical systems. And also, small light-sources and cameras in the mid-infrared light region, whose size are several millimeter on a side, are essential components for the ultra-compact spectroscopic configuration. We selected the Graphite light source (light source area: 1.7×1.7[mm], maker: Hawkeye technologies) whose radiation factor was high. Fortunately, in these days we could apply the cost-effective 2-dimensional light receiving device for smartphone (e.g. product name: LEPTON, maker: FLIR, price: around 400USD). In the case of alcoholic drinks factory, conventionally workers measure glucose and ethanol concentrations by bringing liquid solution back to laboratories every day. The high portable spectroscopy will make it possible to measure multi-components simultaneously on manufacturing scene. But we found experimentally that absorption spectrum of glucose and water and ethanol were overlapped each other in near infrared light region. But for mid-infrared light region, we could distinguish specific absorption peaks of glucose (@10.5[μm]) and ethanol (@11.5[μm]) independently from water absorption. We obtained standard curve between absorption (@9.6[μm]) and ethanol concentration with high correlation coefficient 0.98 successfully by ATR imaging-type 2-dimensional Fourier spectroscopy (wavelength resolution: 0.057[μm]) with the graphite light source (maker: Hawkeye technologies, type: IR-75).

Effects of Sample Preparation on the Infrared Reflectance Spectra of Powders

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

Brauer, Carolyn S.; Johnson, Timothy J.; Myers, Tanya L.

2015-05-22

While reflectance spectroscopy is a useful tool in identifying molecular compounds, laboratory measurement of solid (particularly powder) samples often is confounded by sample preparation methods. For example, both the packing density and surface roughness can have an effect on the quantitative reflectance spectra of powdered samples. Recent efforts in our group have focused on developing standard methods for measuring reflectance spectra that accounts for sample preparation, as well as other factors such as particle size and provenance. In this work, the effect of preparation method on sample reflectivity was investigated by measuring the directional-hemispherical spectra of samples that were hand-packedmore » as well as pressed into pellets using an integrating sphere attached to a Fourier transform infrared spectrometer. The results show that the methods used to prepare the sample have a substantial effect on the measured reflectance spectra, as do other factors such as particle size.« less

Effects of sample preparation on the infrared reflectance spectra of powders

NASA Astrophysics Data System (ADS)

Brauer, Carolyn S.; Johnson, Timothy J.; Myers, Tanya L.; Su, Yin-Fong; Blake, Thomas A.; Forland, Brenda M.

2015-05-01

While reflectance spectroscopy is a useful tool for identifying molecular compounds, laboratory measurement of solid (particularly powder) samples often is confounded by sample preparation methods. For example, both the packing density and surface roughness can have an effect on the quantitative reflectance spectra of powdered samples. Recent efforts in our group have focused on developing standard methods for measuring reflectance spectra that accounts for sample preparation, as well as other factors such as particle size and provenance. In this work, the effect of preparation method on sample reflectivity was investigated by measuring the directional-hemispherical spectra of samples that were hand-loaded as well as pressed into pellets using an integrating sphere attached to a Fourier transform infrared spectrometer. The results show that the methods used to prepare the sample can have a substantial effect on the measured reflectance spectra, as do other factors such as particle size.

Apparatus for direct-to-digital spatially-heterodyned holography

DOEpatents

Thomas, Clarence E.; Hanson, Gregory R.

2006-12-12

An apparatus operable to record a spatially low-frequency heterodyne hologram including spatially heterodyne fringes for Fourier analysis includes: a laser; a beamsplitter optically coupled to the laser; an object optically coupled to the beamsplitter; a focusing lens optically coupled to both the beamsplitter and the object; a digital recorder optically coupled to the focusing lens; and a computer that performs a Fourier transform, applies a digital filter, and performs an inverse Fourier transform. A reference beam and an object beam are focused by the focusing lens at a focal plane of the digital recorder to form a spatially low-frequency heterodyne hologram including spatially heterodyne fringes for Fourier analysis which is recorded by the digital recorder, and the computer transforms the recorded spatially low-frequency heterodyne hologram including spatially heterodyne fringes and shifts axes in Fourier space to sit on top of a heterodyne carrier frequency defined by an angle between the reference beam and the object beam and cuts off signals around an original origin before performing the inverse Fourier transform.

Practical Sub-Nyquist Sampling via Array-Based Compressed Sensing Receiver Architecture

DTIC Science & Technology

2016-07-10

different array ele- ments at different sub-Nyquist sampling rates. Signal processing inspired by the sparse fast Fourier transform allows for signal...reconstruction algorithms can be computationally demanding (REF). The related sparse Fourier transform algorithms aim to reduce the processing time nec- essary to...compute the DFT of frequency-sparse signals [7]. In particular, the sparse fast Fourier transform (sFFT) achieves processing time better than the

Discrete fourier transform (DFT) analysis for applications using iterative transform methods

NASA Technical Reports Server (NTRS)

Dean, Bruce H. (Inventor)

2012-01-01

According to various embodiments, a method is provided for determining aberration data for an optical system. The method comprises collecting a data signal, and generating a pre-transformation algorithm. The data is pre-transformed by multiplying the data with the pre-transformation algorithm. A discrete Fourier transform of the pre-transformed data is performed in an iterative loop. The method further comprises back-transforming the data to generate aberration data.

STRUCTURE IN THE 3D GALAXY DISTRIBUTION: III. FOURIER TRANSFORMING THE UNIVERSE: PHASE AND POWER SPECTRA.

PubMed

Scargle, Jeffrey D; Way, M J; Gazis, P R

2017-04-10

We demonstrate the effectiveness of a relatively straightforward analysis of the complex 3D Fourier transform of galaxy coordinates derived from redshift surveys. Numerical demonstrations of this approach are carried out on a volume-limited sample of the Sloan Digital Sky Survey redshift survey. The direct unbinned transform yields a complex 3D data cube quite similar to that from the Fast Fourier Transform (FFT) of finely binned galaxy positions. In both cases deconvolution of the sampling window function yields estimates of the true transform. Simple power spectrum estimates from these transforms are roughly consistent with those using more elaborate methods. The complex Fourier transform characterizes spatial distributional properties beyond the power spectrum in a manner different from (and we argue is more easily interpreted than) the conventional multi-point hierarchy. We identify some threads of modern large scale inference methodology that will presumably yield detections in new wider and deeper surveys.

STRUCTURE IN THE 3D GALAXY DISTRIBUTION: III. FOURIER TRANSFORMING THE UNIVERSE: PHASE AND POWER SPECTRA

PubMed Central

Scargle, Jeffrey D.; Way, M. J.; Gazis, P. R.

2017-01-01

We demonstrate the effectiveness of a relatively straightforward analysis of the complex 3D Fourier transform of galaxy coordinates derived from redshift surveys. Numerical demonstrations of this approach are carried out on a volume-limited sample of the Sloan Digital Sky Survey redshift survey. The direct unbinned transform yields a complex 3D data cube quite similar to that from the Fast Fourier Transform (FFT) of finely binned galaxy positions. In both cases deconvolution of the sampling window function yields estimates of the true transform. Simple power spectrum estimates from these transforms are roughly consistent with those using more elaborate methods. The complex Fourier transform characterizes spatial distributional properties beyond the power spectrum in a manner different from (and we argue is more easily interpreted than) the conventional multi-point hierarchy. We identify some threads of modern large scale inference methodology that will presumably yield detections in new wider and deeper surveys. PMID:29628519

Structure in the 3D Galaxy Distribution: III. Fourier Transforming the Universe: Phase and Power Spectra

NASA Technical Reports Server (NTRS)

Scargle, Jeffrey D.; Way, M. J.; Gazis, P. R.

2017-01-01

We demonstrate the effectiveness of a relatively straightforward analysis of the complex 3D Fourier transform of galaxy coordinates derived from redshift surveys. Numerical demonstrations of this approach are carried out on a volume-limited sample of the Sloan Digital Sky Survey redshift survey. The direct unbinned transform yields a complex 3D data cube quite similar to that from the Fast Fourier Transform (FFT) of finely binned galaxy positions. In both cases deconvolution of the sampling window function yields estimates of the true transform. Simple power spectrum estimates from these transforms are roughly consistent with those using more elaborate methods. The complex Fourier transform characterizes spatial distributional properties beyond the power spectrum in a manner different from (and we argue is more easily interpreted than) the conventional multi-point hierarchy. We identify some threads of modern large scale inference methodology that will presumably yield detections in new wider and deeper surveys.

Documentation for subroutine REDUC3, an algorithm for the linear filtering of gridded magnetic data

USGS Publications Warehouse

Blakely, Richard J.

1977-01-01

Subroutine REDUC3 transforms a total field anomaly h1(x,y) , measured on a horizontal and rectangular grid, into a new anomaly h2(x,y). This new anomaly is produced by the same source as h1(x,y) , but (1) is observed at a different elevation, (2) has a source with a different direction of magnetization, and/or (3) has a different direction of residual field. Case 1 is tantamount to upward or downward continuation. Cases 2 and 3 are 'reduction to the pole', if the new inclinations of both the magnetization and regional field are 90 degrees. REDUC3 is a filtering operation applied in the wave-number domain. It first Fourier transforms h1(x,y) , multiplies by the appropriate filter, and inverse Fourier transforms the result to obtain h2(x,y). No assumptions are required about the shape of the source or how the intensity of magnetization varies within it.

Rugged optical mirrors for the operation of Fourier-Transform Spectrometers in rough environments

NASA Astrophysics Data System (ADS)

Feist, Dietrich G.

2014-05-01

The Total Carbon Column Observing Network (TCCON) and the Network for the Detection of Atmospheric Composition Change (NDACC) operate a growing number of Fourier-Transform Spectrometers (FTS) that measure the total column of several atmospheric trace gases. For these measurements, the sun is used as a light source. This is typically achieved by a solar tracker that uses a pair of optical mirrors to guide the sunlight into the instrument. There is a growing demand to operate these instruments in remote locations that fill the gaps in the global observation network. Besides the logistical challenges of running a remote site, the environment at these locations can be very harsh compared to the sheltered environment of the instruments' home institutions. While the FTS itself is usually well protected inside a building or container, the solar tracker and especially its mirrors are exposed to the environment. There they may suffer from - temperature fluctuations - high humidity - sea salt corrosion at coastal sites - dirt and dust - air pollution from anthropogenic sources - deposition from plants or animals The Max Planck Institute for Biogeochemistry (MPI-BGC) operates a TCCON station on Ascension Island, about 200 m from the sea. Under the rough conditions at this site, typical optical mirrors that are made for laboratory conditions are destroyed by sea salt spray within a few weeks. Besides, typical gold-coated mirrors cannot be cleaned as their soft surface is easily scratched or damaged. To overcome these problems, the MPI-BGC has developed optical mirrors that - offer good reflectivity in the near and mid infrared - are highly resistant to salt and chlorine - have a hard surface so that they can be cleaned often and easily - are not affected by organic solvents - last for months in very harsh environments - can be reused after polishing These mirrors could be applied to most TCCON and NDACC sites. This way, the network could be expanded to regions where operation would have been too challenging so far.

Rational functional representation of flap noise spectra including correction for reflection effects

NASA Technical Reports Server (NTRS)

Miles, J. H.

1974-01-01

A rational function is presented for the acoustic spectra generated by deflection of engine exhaust jets for under-the-wing and over-the-wing versions of externally blown flaps. The functional representation is intended to provide a means for compact storage of data and for data analysis. The expressions are based on Fourier transform functions for the Strouhal normalized pressure spectral density, and on a correction for reflection effects based on Thomas' (1969) N-independent-source model extended by use of a reflected ray transfer function. Curve fit comparisons are presented for blown-flap data taken from turbofan engine tests and from large-scale cold-flow model tests. Application of the rational function to scrubbing noise theory is also indicated.

Simulating first order optical systems—algorithms for and composition of discrete linear canonical transforms

NASA Astrophysics Data System (ADS)

Healy, John J.

2018-01-01

The linear canonical transforms (LCTs) are a parameterised group of linear integral transforms. The LCTs encompass a number of well-known transformations as special cases, including the Fourier transform, fractional Fourier transform, and the Fresnel integral. They relate the scalar wave fields at the input and output of systems composed of thin lenses and free space, along with other quadratic phase systems. In this paper, we perform a systematic search of all algorithms based on up to five stages of magnification, chirp multiplication and Fourier transforms. Based on that search, we propose a novel algorithm, for which we present numerical results. We compare the sampling requirements of three algorithms. Finally, we discuss some issues surrounding the composition of discrete LCTs.

Adulteration of diesel/biodiesel blends by vegetable oil as determined by Fourier transform (FT) near infrared spectrometry and FT-Raman spectroscopy.

PubMed

Oliveira, Flavia C C; Brandão, Christian R R; Ramalho, Hugo F; da Costa, Leonardo A F; Suarez, Paulo A Z; Rubim, Joel C

2007-03-28

In this work it has been shown that the routine ASTM methods (ASTM 4052, ASTM D 445, ASTM D 4737, ASTM D 93, and ASTM D 86) recommended by the ANP (the Brazilian National Agency for Petroleum, Natural Gas and Biofuels) to determine the quality of diesel/biodiesel blends are not suitable to prevent the adulteration of B2 or B5 blends with vegetable oils. Considering the previous and actual problems with fuel adulterations in Brazil, we have investigated the application of vibrational spectroscopy (Fourier transform (FT) near infrared spectrometry and FT-Raman) to identify adulterations of B2 and B5 blends with vegetable oils. Partial least square regression (PLS), principal component regression (PCR), and artificial neural network (ANN) calibration models were designed and their relative performances were evaluated by external validation using the F-test. The PCR, PLS, and ANN calibration models based on the Fourier transform (FT) near infrared spectrometry and FT-Raman spectroscopy were designed using 120 samples. Other 62 samples were used in the validation and external validation, for a total of 182 samples. The results have shown that among the designed calibration models, the ANN/FT-Raman presented the best accuracy (0.028%, w/w) for samples used in the external validation.

Synchronous scattering and diffraction from gold nanotextured surfaces with structure factors

NASA Astrophysics Data System (ADS)

Gu, Min-Jhong; Lee, Ming-Tsang; Huang, Chien-Hsun; Wu, Chi-Chun; Chen, Yu-Bin

2018-05-01

Synchronous scattering and diffraction were demonstrated using reflectance from gold nanotextured surfaces at oblique (θi = 15° and 60°) incidence of wavelength λ = 405 nm. Two samples of unique auto-correlation functions were cost-effectively fabricated. Multiple structure factors of their profiles were confirmed with Fourier expansions. Bi-directional reflectance function (BRDF) from these samples provided experimental proofs. On the other hand, standard deviation of height and unique auto-correlation function of each sample were used to generate surfaces numerically. Comparing their BRDF with those of totally random rough surfaces further suggested that structure factors in profile could reduce specular reflection more than totally random roughness.

Extreme ultraviolet interferometry

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

Goldberg, Kenneth A.

EUV lithography is a promising and viable candidate for circuit fabrication with 0.1-micron critical dimension and smaller. In order to achieve diffraction-limited performance, all-reflective multilayer-coated lithographic imaging systems operating near 13-nm wavelength and 0.1 NA have system wavefront tolerances of 0.27 nm, or 0.02 waves RMS. Owing to the highly-sensitive resonant reflective properties of multilayer mirrors and extraordinarily tight tolerances set forth for their fabrication, EUV optical systems require at-wavelength EUV interferometry for final alignment and qualification. This dissertation discusses the development and successful implementation of high-accuracy EUV interferometric techniques. Proof-of-principle experiments with a prototype EUV point-diffraction interferometer for themore » measurement of Fresnel zoneplate lenses first demonstrated sub-wavelength EUV interferometric capability. These experiments spurred the development of the superior phase-shifting point-diffraction interferometer (PS/PDI), which has been implemented for the testing of an all-reflective lithographic-quality EUV optical system. Both systems rely on pinhole diffraction to produce spherical reference wavefronts in a common-path geometry. Extensive experiments demonstrate EUV wavefront-measuring precision beyond 0.02 waves RMS. EUV imaging experiments provide verification of the high-accuracy of the point-diffraction principle, and demonstrate the utility of the measurements in successfully predicting imaging performance. Complementary to the experimental research, several areas of theoretical investigation related to the novel PS/PDI system are presented. First-principles electromagnetic field simulations of pinhole diffraction are conducted to ascertain the upper limits of measurement accuracy and to guide selection of the pinhole diameter. Investigations of the relative merits of different PS/PDI configurations accompany a general study of the most significant sources of systematic measurement errors. To overcome a variety of experimental difficulties, several new methods in interferogram analysis and phase-retrieval were developed: the Fourier-Transform Method of Phase-Shift Determination, which uses Fourier-domain analysis to improve the accuracy of phase-shifting interferometry; the Fourier-Transform Guided Unwrap Method, which was developed to overcome difficulties associated with a high density of mid-spatial-frequency blemishes and which uses a low-spatial-frequency approximation to the measured wavefront to guide the phase unwrapping in the presence of noise; and, finally, an expedient method of Gram-Schmidt orthogonalization which facilitates polynomial basis transformations in wave-front surface fitting procedures.« less

An Investigation into the Use of Spatially-Filtered Fourier Transforms to Classify Mammary Lesions.

DTIC Science & Technology

difference in Fourier space between lesioned breast tissue which would enable accurate computer classification of benign and malignant lesions. Low...separate benign and malignant breast tissue. However, no success was achieved when using two-dimensional Fourier transform and power spectrum analysis. (Author)

Photovoltaics module interface: General purpose primers

NASA Technical Reports Server (NTRS)

Boerio, J.

1985-01-01

The interfacial chemistry established between ethylene vinyl acetate (EVA) and the aluminized back surface of commercial solar cells was observed experimentally. The technique employed is called Fourier Transform Infrared (FTIR) spectroscopy, with the infrared signal being reflected back from the aluminum surface through the EVA film. Reflection infrared (IR) spectra are given and attention is drawn to the specific IR peak at 1080/cm which forms on hydrolytic aging of the EVA/aluminum system. With this fundamental finding, and the workable experimental techniques, candidate silane coupling agents are employed at the interface, and their effects on eliminating or slowing hydrolytic aging of the EVA/aluminum interface are monitored.

The use of FT-IR reflection-absorbance spectroscopy to study photochemical degradation of polymeric coatings on mirrors

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

Webb, J.D.; Chughtai, A.R.; Czanderna, A.W.

1981-10-01

A technique is presented for in situ study of degradative changes in polymeric coatings on metallic substrates. The technique uses a controlled environment chamber in conjunction with a Fourier-transform infrared (FT-IR) spectrophotometer. The chamber design permits collection of IR reflection-absorbance spectra from a sample undergoing exposure to controlled ultraviolet (UV) radiation, gas mixtures, and temperatures. Initial data presented confirm the ability of the technique to provide information regarding the bulk photochemistry of bisphenol-A polycarbonate coatings on gold and aluminum substrates. Refinements of this technique should allow a detailed kinetic study of degradative reactions at the polymer/metal interface.

Use of FT-IR reflection-absorbance spectroscopy to study photochemical degradation of polymeric coatings on mirrors

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

Webb, J D; Schissel, P; Czanderna, A W

1981-01-01

A technique is presented for in situ study of degradative changes in polymeric coatings on metallic substrates. The technique uses a controlled environment chamber in conjunction with a Fourier-transform infrared (FT-IR) spectrophotometer. The chamber design permits collection of IR reflection-absorbance spectra from a sample undergoing exposure to controlled ultraviolet (uv) radiation, gas mixtures, and temperatures. Initial data presented confirm the ability of the technique to provide information regarding the bulk photochemistry of bisphenol-A polycarbonate coatings on gold and aluminum substrates. Refinements of this technique should allow a detailed kinetic study of degradative reactions at the polymer/metal interface.

A diffuse reflectance infrared Fourier transform spectroscopic study of adsorbed hydrazines

NASA Technical Reports Server (NTRS)

Davis, Dennis D.; Kilduff, Jan E.; Koontz, Steven L.

1988-01-01

Diffuse reflectance spectroscopy of fuel hydrazines adsorbed on silica, silica-alumina and alimina surfaces indicates that the primary surface-hydrazine interaction is hydrogen bonding. Hydrazine, on adsorption to a deuterated silica surface, undergoes a rapid H/D exchange with deuterated surface silanol (Si-OD) groups. Adsorption equilibria are rapidly established at room temperature. Monomethylhydrazine and unsymmetrical dimethylhydrazine are similarly adsorbed. On adsorption, the C-H stretching and methyl deformation modes of the methylhydrazines are shifted to higher frequencies by 10 to 20 cm(-1). These shifts are postulated to be due to changes in the lone-pair electro-density on the adjacent nitrogen atom and an electronegativity effect.

A Fourier-based total-field/scattered-field technique for three-dimensional broadband simulations of elastic targets near a water-sand interface.

PubMed

Shao, Yu; Wang, Shumin

2016-12-01

The numerical simulation of acoustic scattering from elastic objects near a water-sand interface is critical to underwater target identification. Frequency-domain methods are computationally expensive, especially for large-scale broadband problems. A numerical technique is proposed to enable the efficient use of finite-difference time-domain method for broadband simulations. By incorporating a total-field/scattered-field boundary, the simulation domain is restricted inside a tightly bounded region. The incident field is further synthesized by the Fourier transform for both subcritical and supercritical incidences. Finally, the scattered far field is computed using a half-space Green's function. Numerical examples are further provided to demonstrate the accuracy and efficiency of the proposed technique.

Detection of Fast Moving and Accelerating Targets Compensating Range and Doppler Migration

DTIC Science & Technology

2014-06-01

Radon -Fourier transform has been introduced to realize long- term coherent integration of the moving targets with range migration [8, 9]. Radon ...2010) Long-time coherent integration for radar target detection base on Radon -Fourier transform, in Proceedings of the IEEE Radar Conference, pp...432–436. 9. Xu, J., Yu, J., Peng, Y. & Xia, X. (2011) Radon -Fourier transform for radar target detection, I: Generalized Doppler filter bank, IEEE

Surface reaction mechanisms during ozone and oxygen plasma assisted atomic layer deposition of aluminum oxide.

PubMed

Rai, Vikrant R; Vandalon, Vincent; Agarwal, Sumit

2010-09-07

We have elucidated the reaction mechanism and the role of the reactive intermediates in the atomic layer deposition (ALD) of aluminum oxide from trimethyl aluminum in conjunction with O(3) and an O(2) plasma. In situ attenuated total reflection Fourier transform infrared spectroscopy data show that both -OH groups and carbonates are formed on the surface during the oxidation cycle. These carbonates, once formed on the surface, are stable to prolonged O(3) exposure in the same cycle. However, in the case of plasma-assisted ALD, the carbonates decompose upon prolonged O(2) plasma exposure via a series reaction kinetics of the type, A (CH(3)) --> B (carbonates) --> C (Al(2)O(3)). The ratio of -OH groups to carbonates on the surface strongly depends on the oxidizing agent, and also the duration of the oxidation cycle in plasma-assisted ALD. However, in both O(3) and O(2) plasma cycles, carbonates are a small fraction of the total number of reactive sites compared to the hydroxyl groups.

Total sulfur determination in residues of crude oil distillation using FT-IR/ATR and variable selection methods

NASA Astrophysics Data System (ADS)

Müller, Aline Lima Hermes; Picoloto, Rochele Sogari; Mello, Paola de Azevedo; Ferrão, Marco Flores; dos Santos, Maria de Fátima Pereira; Guimarães, Regina Célia Lourenço; Müller, Edson Irineu; Flores, Erico Marlon Moraes

2012-04-01

Total sulfur concentration was determined in atmospheric residue (AR) and vacuum residue (VR) samples obtained from petroleum distillation process by Fourier transform infrared spectroscopy with attenuated total reflectance (FT-IR/ATR) in association with chemometric methods. Calibration and prediction set consisted of 40 and 20 samples, respectively. Calibration models were developed using two variable selection models: interval partial least squares (iPLS) and synergy interval partial least squares (siPLS). Different treatments and pre-processing steps were also evaluated for the development of models. The pre-treatment based on multiplicative scatter correction (MSC) and the mean centered data were selected for models construction. The use of siPLS as variable selection method provided a model with root mean square error of prediction (RMSEP) values significantly better than those obtained by PLS model using all variables. The best model was obtained using siPLS algorithm with spectra divided in 20 intervals and combinations of 3 intervals (911-824, 823-736 and 737-650 cm-1). This model produced a RMSECV of 400 mg kg-1 S and RMSEP of 420 mg kg-1 S, showing a correlation coefficient of 0.990.

Recent Advances in Laplace Transform Analytic Element Method (LT-AEM) Theory and Application to Transient Groundwater Flow

NASA Astrophysics Data System (ADS)

Kuhlman, K. L.; Neuman, S. P.

2006-12-01

Furman and Neuman (2003) proposed a Laplace Transform Analytic Element Method (LT-AEM) for transient groundwater flow. LT-AEM applies the traditionally steady-state AEM to the Laplace transformed groundwater flow equation, and back-transforms the resulting solution to the time domain using a Fourier Series numerical inverse Laplace transform method (de Hoog, et.al., 1982). We have extended the method so it can compute hydraulic head and flow velocity distributions due to any two-dimensional combination and arrangement of point, line, circular and elliptical area sinks and sources, nested circular or elliptical regions having different hydraulic properties, and areas of specified head, flux or initial condition. The strengths of all sinks and sources, and the specified head and flux values, can all vary in both space and time in an independent and arbitrary fashion. Initial conditions may vary from one area element to another. A solution is obtained by matching heads and normal fluxes along the boundary of each element. The effect which each element has on the total flow is expressed in terms of generalized Fourier series which converge rapidly (<20 terms) in most cases. As there are more matching points than unknown Fourier terms, the matching is accomplished in Laplace space using least-squares. The method is illustrated by calculating the resulting transient head and flow velocities due to an arrangement of elements in both finite and infinite domains. The 2D LT-AEM elements already developed and implemented are currently being extended to solve the 3D groundwater flow equation.

Maskelynite formation via solid-state transformation: Evidence of infrared and x-ray anisotropy

DOE PAGES

Jaret, Steven J.; Ehm, Lars; Woerner, William R.; ...

2015-03-24

We present optical microscopy, micro-Raman spectroscopy, nuclear magnetic resonance (NMR) spectroscopy, high-energy X-ray total scattering experiments, and micro-Fourier transform infrared (micro-FTIR) spectroscopy on shocked labradorite from the Lonar Crater, India. We show that maskelynite of shock class 2 is structurally more similar to fused glass than to crystalline plagioclase. However, there are slight but significant differences – preservation of original pre-impact igneous zoning, anisotropy at Infrared wavelengths, X-ray anisotropy, and preservation of some intermediate range order – which are all consistent with a solid-state transformation formation of maskelynite.

Evaluation of GasmetTM DX-4015 Series Fourier Transform Infrared Gas Analyzer

DTIC Science & Technology

2009-06-01

penalty for failing to comply with a collection of information if it does not display a currently valid OMB control number PLEASE DO NOT RETURN YOUR...Series FTIR Gas Analyzer Instrument test conditions simulated current ALS Increment 0 conditions. Briefly, unknown samples are collected in a "hot...a 1M cell. Emission radiation can be collected following a reflection or transmission process. Only one system is being considered and that system

Some Approaches to the Analysis and Interpretation of Wide-Angle Bottom Loss Data.

DTIC Science & Technology

1982-02-15

1979; Hastrup , 1969). This is described by the equation I ( ) = A( ) x where I(w)z impulse response estimate, A(w) = bottom interacting signal, S(w...quite significant subbottom reflectivity structure ( Hastrup , 1970; Herstein et al, 1979; Santaniello et al, 1979; Chapman, 1980; Tyce et al, 1980...Use of Windows for Harmonic Analysis with the Discrete Fourier Transform," Proo. IEEE 66, 51. 186 Hastrup , 0. F., 1970. "Digital Analysis of Acoustic

Evaluation of photostability of solid-state nicardipine hydrochloride polymorphs by using Fourier-transformed reflection-absorption infrared spectroscopy - effect of grinding on the photostability of crystal form.

PubMed

Teraoka, Reiko; Otsuka, Makoto; Matsuda, Yoshihisa

2004-11-22

Photostability and physicochemical properties of nicardipine hydrochloride polymorphs (alpha- and beta-form) were studied by using Fourier-transformed reflection-absorption infrared spectroscopy (FT-IR-RAS) of the tablets, X-ray powder diffraction analysis, differential scanning calorimetry (DSC), and color difference measurement. It was clear from the results of FT-IR-RAS spectra after irradiation that nicardipine hydrochloride in the solid state decomposed to its pyridine derivative when exposed to light. The photostability of the ground samples of two forms was also measured in the same manner. The two crystalline forms of the drug changed to nearly amorphous form after 150 min grinding in a mixer mill. X-ray powder diffraction patterns of those ground samples showed almost halo patterns. The nicardipine hydrochloride content on the surface of the tablet was determined based on the absorbance at 1700 cm(-1) attributable to the C=O stretch vibration in FT-IR-RAS spectra before and after irradiation by fluorescent lamp (3500 lx). The photodegradation followed apparently the first-order kinetics for any sample. The apparent photodegradation rate constant of beta-form was greater than that of alpha-form. The ground samples decomposed rapidly under the same light irradiation as compared with the intact crystalline forms. The photodegradation rate constant decreased with increase of the heat of fusion. copyright 2004 Elsevier B.V.

A Primer of Fourier Transform NMR.

ERIC Educational Resources Information Center

Macomber, Roger S.

1985-01-01

Fourier transform nuclear magnetic resonance (NMR) is a new spectroscopic technique that is often omitted from undergraduate curricula because of lack of instructional materials. Therefore, information is provided to introduce students to the technique of data collection and transformation into the frequency domain. (JN)

Geometric Representations for Discrete Fourier Transforms

NASA Technical Reports Server (NTRS)

Cambell, C. W.

1986-01-01

Simple geometric representations show symmetry and periodicity of discrete Fourier transforms (DFT's). Help in visualizing requirements for storing and manipulating transform value in computations. Representations useful in any number of dimensions, but particularly in one-, two-, and three-dimensional cases often encountered in practice.

Sparsity guided empirical wavelet transform for fault diagnosis of rolling element bearings

NASA Astrophysics Data System (ADS)

Wang, Dong; Zhao, Yang; Yi, Cai; Tsui, Kwok-Leung; Lin, Jianhui

2018-02-01

Rolling element bearings are widely used in various industrial machines, such as electric motors, generators, pumps, gearboxes, railway axles, turbines, and helicopter transmissions. Fault diagnosis of rolling element bearings is beneficial to preventing any unexpected accident and reducing economic loss. In the past years, many bearing fault detection methods have been developed. Recently, a new adaptive signal processing method called empirical wavelet transform attracts much attention from readers and engineers and its applications to bearing fault diagnosis have been reported. The main problem of empirical wavelet transform is that Fourier segments required in empirical wavelet transform are strongly dependent on the local maxima of the amplitudes of the Fourier spectrum of a signal, which connotes that Fourier segments are not always reliable and effective if the Fourier spectrum of the signal is complicated and overwhelmed by heavy noises and other strong vibration components. In this paper, sparsity guided empirical wavelet transform is proposed to automatically establish Fourier segments required in empirical wavelet transform for fault diagnosis of rolling element bearings. Industrial bearing fault signals caused by single and multiple railway axle bearing defects are used to verify the effectiveness of the proposed sparsity guided empirical wavelet transform. Results show that the proposed method can automatically discover Fourier segments required in empirical wavelet transform and reveal single and multiple railway axle bearing defects. Besides, some comparisons with three popular signal processing methods including ensemble empirical mode decomposition, the fast kurtogram and the fast spectral correlation are conducted to highlight the superiority of the proposed method.

Human Plasma N-glycosylation as Analyzed by Matrix-Assisted Laser Desorption/Ionization-Fourier Transform Ion Cyclotron Resonance-MS Associates with Markers of Inflammation and Metabolic Health.

PubMed

Reiding, Karli R; Ruhaak, L Renee; Uh, Hae-Won; El Bouhaddani, Said; van den Akker, Erik B; Plomp, Rosina; McDonnell, Liam A; Houwing-Duistermaat, Jeanine J; Slagboom, P Eline; Beekman, Marian; Wuhrer, Manfred

2017-02-01

Glycosylation is an abundant co- and post-translational protein modification of importance to protein processing and activity. Although not template-defined, glycosylation does reflect the biological state of an organism and is a high-potential biomarker for disease and patient stratification. However, to interpret a complex but informative sample like the total plasma N-glycome, it is important to establish its baseline association with plasma protein levels and systemic processes. Thus far, large-scale studies (n >200) of the total plasma N-glycome have been performed with methods of chromatographic and electrophoretic separation, which, although being informative, are limited in resolving the structural complexity of plasma N-glycans. MS has the opportunity to contribute additional information on, among others, antennarity, sialylation, and the identity of high-mannose type species.Here, we have used matrix-assisted laser desorption/ionization (MALDI)-Fourier transform ion cyclotron resonance (FTICR)-MS to study the total plasma N-glycome of 2144 healthy middle-aged individuals from the Leiden Longevity Study, to allow association analysis with markers of metabolic health and inflammation. To achieve this, N-glycans were enzymatically released from their protein backbones, labeled at the reducing end with 2-aminobenzoic acid, and following purification analyzed by negative ion mode intermediate pressure MALDI-FTICR-MS. In doing so, we achieved the relative quantification of 61 glycan compositions, ranging from Hex 4 HexNAc 2 to Hex 7 HexNAc 6 dHex 1 Neu5Ac 4 , as well as that of 39 glycosylation traits derived thereof. Next to confirming known associations of glycosylation with age and sex by MALDI-FTICR-MS, we report novel associations with C-reactive protein (CRP), interleukin 6 (IL-6), body mass index (BMI), leptin, adiponectin, HDL cholesterol, triglycerides (TG), insulin, gamma-glutamyl transferase (GGT), alanine aminotransferase (ALT), and smoking. Overall, the bisection, galactosylation, and sialylation of diantennary species, the sialylation of tetraantennary species, and the size of high-mannose species proved to be important plasma characteristics associated with inflammation and metabolic health. © 2017 by The American Society for Biochemistry and Molecular Biology, Inc.

Human Plasma N-glycosylation as Analyzed by Matrix-Assisted Laser Desorption/Ionization-Fourier Transform Ion Cyclotron Resonance-MS Associates with Markers of Inflammation and Metabolic Health*

PubMed Central

Reiding, Karli R.; Ruhaak, L. Renee; Uh, Hae-Won; el Bouhaddani, Said; van den Akker, Erik B.; Plomp, Rosina; McDonnell, Liam A.; Houwing-Duistermaat, Jeanine J.; Slagboom, P. Eline; Beekman, Marian; Wuhrer, Manfred

2017-01-01

Glycosylation is an abundant co- and post-translational protein modification of importance to protein processing and activity. Although not template-defined, glycosylation does reflect the biological state of an organism and is a high-potential biomarker for disease and patient stratification. However, to interpret a complex but informative sample like the total plasma N-glycome, it is important to establish its baseline association with plasma protein levels and systemic processes. Thus far, large-scale studies (n >200) of the total plasma N-glycome have been performed with methods of chromatographic and electrophoretic separation, which, although being informative, are limited in resolving the structural complexity of plasma N-glycans. MS has the opportunity to contribute additional information on, among others, antennarity, sialylation, and the identity of high-mannose type species. Here, we have used matrix-assisted laser desorption/ionization (MALDI)-Fourier transform ion cyclotron resonance (FTICR)-MS to study the total plasma N-glycome of 2144 healthy middle-aged individuals from the Leiden Longevity Study, to allow association analysis with markers of metabolic health and inflammation. To achieve this, N-glycans were enzymatically released from their protein backbones, labeled at the reducing end with 2-aminobenzoic acid, and following purification analyzed by negative ion mode intermediate pressure MALDI-FTICR-MS. In doing so, we achieved the relative quantification of 61 glycan compositions, ranging from Hex4HexNAc2 to Hex7HexNAc6dHex1Neu5Ac4, as well as that of 39 glycosylation traits derived thereof. Next to confirming known associations of glycosylation with age and sex by MALDI-FTICR-MS, we report novel associations with C-reactive protein (CRP), interleukin 6 (IL-6), body mass index (BMI), leptin, adiponectin, HDL cholesterol, triglycerides (TG), insulin, gamma-glutamyl transferase (GGT), alanine aminotransferase (ALT), and smoking. Overall, the bisection, galactosylation, and sialylation of diantennary species, the sialylation of tetraantennary species, and the size of high-mannose species proved to be important plasma characteristics associated with inflammation and metabolic health. PMID:27932526

Fourier Transforms of Pulses Containing Exponential Leading and Trailing Profiles

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

Warshaw, S I

2001-07-15

In this monograph we discuss a class of pulse shapes that have exponential rise and fall profiles, and evaluate their Fourier transforms. Such pulses can be used as models for time-varying processes that produce an initial exponential rise and end with the exponential decay of a specified physical quantity. Unipolar examples of such processes include the voltage record of an increasingly rapid charge followed by a damped discharge of a capacitor bank, and the amplitude of an electromagnetic pulse produced by a nuclear explosion. Bipolar examples include acoustic N waves propagating for long distances in the atmosphere that have resultedmore » from explosions in the air, and sonic booms generated by supersonic aircraft. These bipolar pulses have leading and trailing edges that appear to be exponential in character. To the author's knowledge the Fourier transforms of such pulses are not generally well-known or tabulated in Fourier transform compendia, and it is the purpose of this monograph to derive and present these transforms. These Fourier transforms are related to a definite integral of a ratio of exponential functions, whose evaluation we carry out in considerable detail. From this result we derive the Fourier transforms of other related functions. In all Figures showing plots of calculated curves, the actual numbers used for the function parameter values and dependent variables are arbitrary and non-dimensional, and are not identified with any particular physical phenomenon or model.« less

A Short-Segment Fourier Transform Methodology

DTIC Science & Technology

2009-03-01

defined sampling of the continuous-valued discrete-time Fourier transform, superresolution in the frequency domain and allowance of Dirac delta functions associated with pure sinusoidal input data components.

40 CFR 98.414 - Monitoring and QA/QC requirements.

Code of Federal Regulations, 2011 CFR

2011-07-01

... appropriate detector, infrared (IR), fourier transform infrared (FTIR), and nuclear magnetic resonance (NMR... Compounds by Extractive Direct Interface Fourier Transform Infrared (FTIR) Spectroscopy (incorporated by...

40 CFR 98.414 - Monitoring and QA/QC requirements.

Code of Federal Regulations, 2012 CFR

2012-07-01

... appropriate detector, infrared (IR), fourier transform infrared (FTIR), and nuclear magnetic resonance (NMR... Compounds by Extractive Direct Interface Fourier Transform Infrared (FTIR) Spectroscopy (incorporated by...

40 CFR 98.414 - Monitoring and QA/QC requirements.

Code of Federal Regulations, 2014 CFR

2014-07-01

... appropriate detector, infrared (IR), fourier transform infrared (FTIR), and nuclear magnetic resonance (NMR... Compounds by Extractive Direct Interface Fourier Transform Infrared (FTIR) Spectroscopy (incorporated by...

40 CFR 98.414 - Monitoring and QA/QC requirements.

Code of Federal Regulations, 2013 CFR

2013-07-01

... appropriate detector, infrared (IR), fourier transform infrared (FTIR), and nuclear magnetic resonance (NMR... Compounds by Extractive Direct Interface Fourier Transform Infrared (FTIR) Spectroscopy (incorporated by...

Fourier-transform-based model for carrier transport in semiconductor heterostructures: Longitudinal optical phonon scattering

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

Lü, X.; Schrottke, L.; Grahn, H. T.

We present scattering rates for electrons at longitudinal optical phonons within a model completely formulated in the Fourier domain. The total intersubband scattering rates are obtained by averaging over the intrasubband electron distributions. The rates consist of the Fourier components of the electron wave functions and a contribution depending only on the intersubband energies and the intrasubband carrier distributions. The energy-dependent part can be reproduced by a rational function, which allows for the separation of the scattering rates into a dipole-like contribution, an overlap-like contribution, and a contribution which can be neglected for low and intermediate carrier densities of themore » initial subband. For a balance between accuracy and computation time, the number of Fourier components can be adjusted. This approach facilitates an efficient design of complex heterostructures with realistic, temperature- and carrier density-dependent rates.« less

Infrared reflectance spectra (4-12 micron) of lunar samples

NASA Technical Reports Server (NTRS)

Nash, Douglas B.

1991-01-01

Presented here are infrared reflectance spectra of a typical set of Apollo samples to illustrate spectral character in the mid-infrared (4 to 12 microns) of lunar materials and how the spectra varies among three main forms: soil, breccia, and igneous rocks. Reflectance data, to a close approximation, are the inverse of emission spectra; thus, for a given material the spectral reflectance (R) at any given wavelength is related to emission (E) by 1 - R equals E. Therefore, one can use reflectance spectra of lunar samples to predict how emission spectra of material on the lunar surface will appear to spectrometers on orbiting spacecraft or earthbound telescopes. Spectra were measured in the lab in dry air using a Fourier Transform Infrared spectrometer. Shown here is only the key portion (4 to 12 microns) of each spectrum relating to the principal spectral emission region for sunlit lunar materials and to where the most diagnostic spectral features occur.

Analysis and application of Fourier transform spectroscopy in atmospheric remote sensing

NASA Technical Reports Server (NTRS)

Park, J. H.

1984-01-01

An analysis method for Fourier transform spectroscopy is summarized with applications to various types of distortion in atmospheric absorption spectra. This analysis method includes the fast Fourier transform method for simulating the interferometric spectrum and the nonlinear least-squares method for retrieving the information from a measured spectrum. It is shown that spectral distortions can be simulated quite well and that the correct information can be retrieved from a distorted spectrum by this analysis technique.

Robust alignment of chromatograms by statistically analyzing the shifts matrix generated by moving window fast Fourier transform cross-correlation.

PubMed

Zhang, Mingjing; Wen, Ming; Zhang, Zhi-Min; Lu, Hongmei; Liang, Yizeng; Zhan, Dejian

2015-03-01

Retention time shift is one of the most challenging problems during the preprocessing of massive chromatographic datasets. Here, an improved version of the moving window fast Fourier transform cross-correlation algorithm is presented to perform nonlinear and robust alignment of chromatograms by analyzing the shifts matrix generated by moving window procedure. The shifts matrix in retention time can be estimated by fast Fourier transform cross-correlation with a moving window procedure. The refined shift of each scan point can be obtained by calculating the mode of corresponding column of the shifts matrix. This version is simple, but more effective and robust than the previously published moving window fast Fourier transform cross-correlation method. It can handle nonlinear retention time shift robustly if proper window size has been selected. The window size is the only one parameter needed to adjust and optimize. The properties of the proposed method are investigated by comparison with the previous moving window fast Fourier transform cross-correlation and recursive alignment by fast Fourier transform using chromatographic datasets. The pattern recognition results of a gas chromatography mass spectrometry dataset of metabolic syndrome can be improved significantly after preprocessing by this method. Furthermore, the proposed method is available as an open source package at https://github.com/zmzhang/MWFFT2. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Implementation of the semiclassical quantum Fourier transform in a scalable system.

PubMed

Chiaverini, J; Britton, J; Leibfried, D; Knill, E; Barrett, M D; Blakestad, R B; Itano, W M; Jost, J D; Langer, C; Ozeri, R; Schaetz, T; Wineland, D J

2005-05-13

We report the implementation of the semiclassical quantum Fourier transform in a system of three beryllium ion qubits (two-level quantum systems) confined in a segmented multizone trap. The quantum Fourier transform is the crucial final step in Shor's algorithm, and it acts on a register of qubits to determine the periodicity of the quantum state's amplitudes. Because only probability amplitudes are required for this task, a more efficient semiclassical version can be used, for which only single-qubit operations conditioned on measurement outcomes are required. We apply the transform to several input states of different periodicities; the results enable the location of peaks corresponding to the original periods. This demonstration incorporates the key elements of a scalable ion-trap architecture, suggesting the future capability of applying the quantum Fourier transform to a large number of qubits as required for a useful quantum factoring algorithm.

Fourier Transform Infrared Imaging analysis of dental pulp inflammatory diseases.

PubMed

Giorgini, E; Sabbatini, S; Conti, C; Rubini, C; Rocchetti, R; Fioroni, M; Memè, L; Orilisi, G

2017-05-01

Fourier Transform Infrared microspectroscopy let characterize the macromolecular composition and distribution of tissues and cells, by studying the interaction between infrared radiation and matter. Therefore, we hypothesize to exploit this analytical tool in the analysis of inflamed pulps, to detect the different biochemical features related to various degrees of inflammation. IR maps of 13 irreversible and 12 hyperplastic pulpitis, together with 10 normal pulps, were acquired, compared with histological findings and submitted to multivariate (HCA, PCA, SIMCA) and statistical (one-way ANOVA) analysis. The fit of convoluted bands let calculate meaningful band area ratios (means ± s.d., P < 0.05). The infrared imaging analysis pin-pointed higher amounts of water and lower quantities of type I collagen in all inflamed pulps. Specific vibrational markers were defined for irreversible pulpitis (Lipids/Total Biomass, PhII/Total Biomass, CH 2 /CH 3 , and Ty/AII) and hyperplastic ones (OH/Total Biomass, Collagen/Total Biomass, and CH 3 Collagen/Total Biomass). The study confirmed that FTIR microspectroscopy let discriminate tissues' biological features. The infrared imaging analysis evidenced, in inflamed pulps, alterations in tissues' structure and composition. Changes in lipid metabolism, increasing amounts of tyrosine, and the occurrence of phosphorylative processes were highlighted in irreversible pulpitis, while high amounts of water and low quantities of type I collagen were detected in hyperplastic samples. © 2017 John Wiley & Sons A/S. Published by John Wiley & Sons Ltd.

[Using 2-DCOS to identify the molecular spectrum peaks for the isomer in the multi-component mixture gases Fourier transform infrared analysis].

PubMed

Zhao, An-Xin; Tang, Xiao-Jun; Zhang, Zhong-Hua; Liu, Jun-Hua

2014-10-01

The generalized two-dimensional correlation spectroscopy and Fourier transform infrared were used to identify hydrocarbon isomers in the mixed gases for absorption spectra resolution enhancement. The Fourier transform infrared spectrum of n-butane and iso-butane and the two-dimensional correlation infrared spectrum of concentration perturbation were used for analysis as an example. The all band and the main absorption peak wavelengths of Fourier transform infrared spectrum for single component gas showed that the spectra are similar, and if they were mixed together, absorption peaks overlap and peak is difficult to identify. The synchronous and asynchronous spectrum of two-dimensional correlation spectrum can clearly identify the iso-butane and normal butane and their respective characteristic absorption peak intensity. Iso-butane has strong absorption characteristics spectrum lines at 2,893, 2,954 and 2,893 cm(-1), and n-butane at 2,895 and 2,965 cm(-1). The analysis result in this paper preliminary verified that the two-dimensional infrared correlation spectroscopy can be used for resolution enhancement in Fourier transform infrared spectrum quantitative analysis.

A BASIC program for the removal of noise from reaction traces using Fourier filtering.

PubMed

Brittain, T

1989-04-01

Software for the removal of noise from reaction curves using the principle of Fourier filtering has been written in BASIC to execute on a PC. The program inputs reaction traces which are subjected to a rotation-inversion process, to produce functions suitable for Fourier analysis. Fourier transformation into the frequency domain is followed by multiplication of the transform by a rectangular filter function, to remove the noise frequencies. Inverse transformation then yields a noise-reduced reaction trace suitable for further analysis. The program is interactive at each stage and could easily be modified to remove noise from a range of input data types.

Method for determining and displaying the spacial distribution of a spectral pattern of received light

DOEpatents

Bennett, C.L.

1996-07-23

An imaging Fourier transform spectrometer is described having a Fourier transform infrared spectrometer providing a series of images to a focal plane array camera. The focal plane array camera is clocked to a multiple of zero crossing occurrences as caused by a moving mirror of the Fourier transform infrared spectrometer and as detected by a laser detector such that the frame capture rate of the focal plane array camera corresponds to a multiple of the zero crossing rate of the Fourier transform infrared spectrometer. The images are transmitted to a computer for processing such that representations of the images as viewed in the light of an arbitrary spectral ``fingerprint`` pattern can be displayed on a monitor or otherwise stored and manipulated by the computer. 2 figs.

Evaluating degradation of silk's fibroin by attenuated total reflectance infrared spectroscopy: Case study of ancient banners from Polish collections

NASA Astrophysics Data System (ADS)

Koperska, M. A.; Łojewski, T.; Łojewska, J.

2015-01-01

In this study a part of research where artificially aged model samples were used as a guideline to the mechanism of degradation is presented. In previous work Bombyx Mori silk samples were exposed to various environments such as different oxygen, water vapour and volatile organic products content, all at the temperature of 150 °C [11]. Based on those results gathered with by Attenuated Total Reflectance/Fourier Transform Infrared Spectroscopy (ATR-FTIR) the degradation estimators were proposed and classified as follows: Primary functional groups estimators EAmideI/II - intensity ratios of Amide I Cdbnd O stretching vibration to Amide II Nsbnd H in-plane bending and Csbnd N stretching vibrations A1620/A1514. ECOOH - band 1318 cm-1 integral to band integral of CH3 bending vibration band located at 1442 cm-1P1318/P1442. Secondary conformational estimators EcCdbndO2 - intensity ratios within Amide I Cdbnd O stretching vibration of parallel β-sheet to antiparallel β-sheet A1620/A1699. In this work estimators were verified against estimators calculated from spectra of silk samples from 8 museum objects: 3 from 19th, 2 from 18th, 1 from 17th and 2 from 16th century including 3 banners from the storage resources of the Wawel Royal Castle in Cracow, Poland.

[Discriminant Analysis of Lavender Essential Oil by Attenuated Total Reflectance Infrared Spectroscopy].

PubMed

Tang, Jun; Wang, Qing; Tong, Hong; Liao, Xiang; Zhang, Zheng-fang

2016-03-01

This work aimed to use attenuated total reflectance Fourier transform infrared spectroscopy to identify the lavender essential oil by establishing a Lavender variety and quality analysis model. So, 96 samples were tested. For all samples, the raw spectra were pretreated as second derivative, and to determine the 1 750-900 cm(-1) wavelengths for pattern recognition analysis on the basis of the variance calculation. The results showed that principal component analysis (PCA) can basically discriminate lavender oil cultivar and the first three principal components mainly represent the ester, alcohol and terpenoid substances. When the orthogonal partial least-squares discriminant analysis (OPLS-DA) model was established, the 68 samples were used for the calibration set. Determination coefficients of OPLS-DA regression curve were 0.959 2, 0.976 4, and 0.958 8 respectively for three varieties of lavender essential oil. Three varieties of essential oil's the root mean square error of prediction (RMSEP) in validation set were 0.142 9, 0.127 3, and 0.124 9, respectively. The discriminant rate of calibration set and the prediction rate of validation set had reached 100%. The model has the very good recognition capability to detect the variety and quality of lavender essential oil. The result indicated that a model which provides a quick, intuitive and feasible method had been built to discriminate lavender oils.

Characterization and tribology of PEG-like coatings on UHMWPE for total hip replacements.

PubMed

Kane, Sheryl R; Ashby, Paul D; Pruitt, Lisa A

2010-03-15

A crosslinked hydrogel coating similar to poly(ethylene glycol) (PEG) was covalently bonded to the surface of ultrahigh molecular weight polyethylene (UHMWPE) to improve the lubricity and wear resistance of the UHWMPE for use in total joint replacements. The chemistry, hydrophilicity, and protein adsorption resistance of the coatings were determined, and the wear behavior of the PEG-like coating was examined by two methods: pin-on-disk tribometry to evaluate macroscale behavior, and atomic force microscopy (AFM) to simulate asperity wear. As expected, the coating was found to be highly PEG-like, with approximately 83% ether content by x-ray photoelectron spectroscopy and more hydrophilic and resistant to protein adsorption than uncoated UHMWPE. Pin-on-disk testing showed that the PEG-like coating could survive 3 MPa of contact pressure, comparable to that experienced by total hip replacements. AFM nanoscratching experiments uncovered three damage mechanisms for the coatings: adhesion/microfracture, pure adhesion, and delamination. The latter two mechanisms appear to correlate well with wear patterns induced by pin-on-disk testing and evaluated by attenuated total reflection Fourier transform infrared spectroscopy mapping. Understanding the mechanisms by which the PEG-like coatings wear is critical for improving the behavior of subsequent generations of wear-resistant hydrogel coatings. (c) 2009 Wiley Periodicals, Inc.

Nonlinear Fourier transform—towards the construction of nonlinear Fourier modes

NASA Astrophysics Data System (ADS)

Saksida, Pavle

2018-01-01

We study a version of the nonlinear Fourier transform associated with ZS-AKNS systems. This version is suitable for the construction of nonlinear analogues of Fourier modes, and for the perturbation-theoretic study of their superposition. We provide an iterative scheme for computing the inverse of our transform. The relevant formulae are expressed in terms of Bell polynomials and functions related to them. In order to prove the validity of our iterative scheme, we show that our transform has the necessary analytic properties. We show that up to order three of the perturbation parameter, the nonlinear Fourier mode is a complex sinusoid modulated by the second Bernoulli polynomial. We describe an application of the nonlinear superposition of two modes to a problem of transmission through a nonlinear medium.

40 CFR 98.224 - Monitoring and QA/QC requirements.

Code of Federal Regulations, 2014 CFR

2014-07-01

... Inorganic Emissions by Extractive Fourier Transform Infrared (FTIR) Spectroscopy. (2) ASTM D6348-03 Standard Test Method for Determination of Gaseous Compounds by Extractive Direct Interface Fourier Transform...

40 CFR 98.224 - Monitoring and QA/QC requirements.

Code of Federal Regulations, 2012 CFR

2012-07-01

... Inorganic Emissions by Extractive Fourier Transform Infrared (FTIR) Spectroscopy. (2) ASTM D6348-03 Standard Test Method for Determination of Gaseous Compounds by Extractive Direct Interface Fourier Transform...

40 CFR 98.224 - Monitoring and QA/QC requirements.

Code of Federal Regulations, 2011 CFR

2011-07-01

... Inorganic Emissions by Extractive Fourier Transform Infrared (FTIR) Spectroscopy. (2) ASTM D6348-03 Standard Test Method for Determination of Gaseous Compounds by Extractive Direct Interface Fourier Transform...

40 CFR 98.224 - Monitoring and QA/QC requirements.

Code of Federal Regulations, 2013 CFR

2013-07-01

... Inorganic Emissions by Extractive Fourier Transform Infrared (FTIR) Spectroscopy. (2) ASTM D6348-03 Standard Test Method for Determination of Gaseous Compounds by Extractive Direct Interface Fourier Transform...

Reduction and coding of synthetic aperture radar data with Fourier transforms

NASA Technical Reports Server (NTRS)

Tilley, David G.

1995-01-01

Recently, aboard the Space Radar Laboratory (SRL), the two roles of Fourier Transforms for ocean image synthesis and surface wave analysis have been implemented with a dedicated radar processor to significantly reduce Synthetic Aperture Radar (SAR) ocean data before transmission to the ground. The object was to archive the SAR image spectrum, rather than the SAR image itself, to reduce data volume and capture the essential descriptors of the surface wave field. SAR signal data are usually sampled and coded in the time domain for transmission to the ground where Fourier Transforms are applied both to individual radar pulses and to long sequences of radar pulses to form two-dimensional images. High resolution images of the ocean often contain no striking features and subtle image modulations by wind generated surface waves are only apparent when large ocean regions are studied, with Fourier transforms, to reveal periodic patterns created by wind stress over the surface wave field. Major ocean currents and atmospheric instability in coastal environments are apparent as large scale modulations of SAR imagery. This paper explores the possibility of computing complex Fourier spectrum codes representing SAR images, transmitting the coded spectra to Earth for data archives and creating scenes of surface wave signatures and air-sea interactions via inverse Fourier transformations with ground station processors.

Use of the fractional Fourier transform in {pi}/2 converters of laser modes

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

Malyutin, A A

2004-02-28

The possibility of using the fractional Fourier transform (FrFT) in optical schemes for astigmatic {pi}/2 converters of Hermite-Gaussian modes to donut Laguerre-Gaussian modes is considered. Several schemes of converters based on the FrFT of the half-integer and irrational orders are presented. The lowest FrFT order than can be used in astigmatic mode converters is found. The properties of converters based on the fractional and ordinary Fourier transforms are compared. (laser beams)

Restoration algorithms for imaging through atmospheric turbulence

DTIC Science & Technology

2017-02-18

the Fourier spectrum of each frame. The reconstructed image is then obtained by taking the inverse Fourier transform of the average of all processed...with wipξq “ Gσp|Fpviqpξq|pq řM j“1Gσp|Fpvjqpξq|pq , where F denotes the Fourier transform (ξ are the frequencies) and Gσ is a Gaussian filter of...a combination of SIFT [26] and ORSA [14] algorithms) in order to remove affine transformations (translations, rotations and homothety). The authors

Tomography: Three Dimensional Image Construction. Applications of Analysis to Medical Radiology. [and] Genetic Counseling. Applications of Probability to Medicine. [and] The Design of Honeycombs. Applications of Differential Equations to Biology. Modules and Monographs in Undergraduate Mathematics and Its Applications Project. UMAP Units 318, 456, 502.

ERIC Educational Resources Information Center

Solomon, Frederick; And Others.

This document consists of three modules. The first looks at applications of analysis to medical radiology. The goals are to provide: 1) acquaintance with a significant applied mathematics problem utilizing Fourier Transforms; 2) generalization of the Fourier Transforms to two dimensions; 3) practice with Fourier Transforms; and 4) introduction to…

A laboratory demonstration of high-resolution hard X-ray and gamma-ray imaging using Fourier-transform techniques

NASA Technical Reports Server (NTRS)

Palmer, David; Prince, Thomas A.

1987-01-01

A laboratory imaging system has been developed to study the use of Fourier-transform techniques in high-resolution hard X-ray and gamma-ray imaging, with particular emphasis on possible applications to high-energy astronomy. Considerations for the design of a Fourier-transform imager and the instrumentation used in the laboratory studies is described. Several analysis methods for image reconstruction are discussed including the CLEAN algorithm and maximum entropy methods. Images obtained using these methods are presented.

Static harmonization of dynamically harmonized Fourier transform ion cyclotron resonance cell.

PubMed

Zhdanova, Ekaterina; Kostyukevich, Yury; Nikolaev, Eugene

2017-08-01

Static harmonization in the Fourier transform ion cyclotron resonance cell improves the resolving power of the cell and prevents dephasing of the ion cloud in the case of any trajectory of the charged particle, not necessarily axisymmetric cyclotron (as opposed to dynamic harmonization). We reveal that the Fourier transform ion cyclotron resonance cell with dynamic harmonization (paracell) is proved to be statically harmonized. The volume of the statically harmonized potential distribution increases with an increase in the number of trap segments.

Fast Fourier Transform algorithm design and tradeoffs

NASA Technical Reports Server (NTRS)

Kamin, Ray A., III; Adams, George B., III

1988-01-01

The Fast Fourier Transform (FFT) is a mainstay of certain numerical techniques for solving fluid dynamics problems. The Connection Machine CM-2 is the target for an investigation into the design of multidimensional Single Instruction Stream/Multiple Data (SIMD) parallel FFT algorithms for high performance. Critical algorithm design issues are discussed, necessary machine performance measurements are identified and made, and the performance of the developed FFT programs are measured. Fast Fourier Transform programs are compared to the currently best Cray-2 FFT program.

Spectral ballistic imaging: a novel technique for viewing through turbid or obstructing media.

PubMed

Granot, Er'el; Sternklar, Shmuel

2003-08-01

We propose a new method for viewing through turbid or obstructing media. The medium is illuminated with a modulated cw laser and the amplitude and phase of the transmitted (or reflected) signal is measured. This process takes place for a set of wavelengths in a certain wide band. In this way we acquire the Fourier transform of the temporal output. With this information we can reconstruct the temporal shape of the transmitted signal by computing the inverse transform. The proposed method benefits from the advantages of the first-light technique: high resolution, simple algorithms, insensitivity to boundary condition, etc., without suffering from its main deficiencies: complex and expensive equipment.

A hybrid method for transient wave propagation in a multilayered solid

NASA Astrophysics Data System (ADS)

Tian, Jiayong; Xie, Zhoumin

2009-08-01

We present a hybrid method for the evaluation of transient elastic-wave propagation in a multilayered solid, integrating reverberation matrix method with the theory of generalized rays. Adopting reverberation matrix formulation, Laplace-Fourier domain solutions of elastic waves in the multilayered solid are expanded into the sum of a series of generalized-ray group integrals. Each generalized-ray group integral containing Kth power of reverberation matrix R represents the set of K-times reflections and refractions of source waves arriving at receivers in the multilayered solid, which was computed by fast inverse Laplace transform (FILT) and fast Fourier transform (FFT) algorithms. However, the calculation burden and low precision of FILT-FFT algorithm limit the application of reverberation matrix method. In this paper, we expand each of generalized-ray group integrals into the sum of a series of generalized-ray integrals, each of which is accurately evaluated by Cagniard-De Hoop method in the theory of generalized ray. The numerical examples demonstrate that the proposed method makes it possible to calculate the early-time transient response in the complex multilayered-solid configuration efficiently.

[On-line monitoring of biomass in 1,3-propanediol fermentation by Fourier-transformed near-infrared spectra analysis].

PubMed

Wang, Lu; Liu, Tao; Chen, Yang; Sun, Yaqin; Xiu, Zhilong

2017-01-25

Biomass is an important parameter reflecting the fermentation dynamics. Real-time monitoring of biomass can be used to control and optimize a fermentation process. To overcome the deficiencies of measurement delay and manual errors from offline measurement, we designed an experimental platform for online monitoring the biomass during a 1,3-propanediol fermentation process, based on using the fourier-transformed near-infrared (FT-NIR) spectra analysis. By pre-processing the real-time sampled spectra and analyzing the sensitive spectra bands, a partial least-squares algorithm was proposed to establish a dynamic prediction model for the biomass change during a 1,3-propanediol fermentation process. The fermentation processes with substrate glycerol concentrations of 60 g/L and 40 g/L were used as the external validation experiments. The root mean square error of prediction (RMSEP) obtained by analyzing experimental data was 0.341 6 and 0.274 3, respectively. These results showed that the established model gave good prediction and could be effectively used for on-line monitoring the biomass during a 1,3-propanediol fermentation process.

Non-destructive evaluation of polyolefin thermal aging using infrared spectroscopy

NASA Astrophysics Data System (ADS)

Fifield, Leonard S.; Shin, Yongsoon; Simmons, Kevin L.

2017-04-01

Fourier transform infrared (FTIR) spectroscopy is an information-rich method that reveals chemical bonding near the surface of polymer composites. FTIR can be used to verify composite composition, identify chemical contaminants and expose composite moisture content. Polymer matrix changes due to thermal exposure including loss of additives, chain scission, oxidation and changes in crystallinity may also be determined using FTIR spectra. Portable handheld instruments using non-contact reflectance or surface contact attenuated total reflectance (ATR) may be used for nondestructive evaluation (NDE) of thermal aging in polymer and composite materials of in-service components. We report the use of ATR FTIR to track oxidative thermal aging in ethylene-propylene rubber (EPR) and chlorinated polyethylene (CPE) materials used in medium voltage nuclear power plant electrical cable insulation and jacketing. Mechanical property changes of the EPR and CPE materials with thermal degradation for correlation with FTIR data are tracked using indenter modulus (IM) testing. IM is often used as a local NDE metric of cable jacket health. The FTIR-determined carbonyl index was found to increase with IM and may be a valuable NDE metric with advantages over IM for assessing cable remaining useful life.

Non-Destructive Evaluation of Polyolefin Thermal Aging Using Infrared Spectroscopy

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

Fifield, Leonard S.; Shin, Yongsoon; Simmons, Kevin L.

Fourier transform infrared (FTIR) spectroscopy is an information-rich method that reveals chemical bonding near the surface of polymer composites. FTIR can be used to verify composite composition, identify chemical contaminants and expose composite moisture content. Polymer matrix changes due to thermal exposure including loss of additives, chain scission, oxidation and changes in crystallinity may also be determined using FTIR spectra. Portable handheld instruments using non-contact reflectance or surface contact attenuated total reflectance (ATR) may be used for non-destructive evaluation (NDE) of thermal aging in polymer and composite materials of in-service components. We report the use of ATR FTIR to trackmore » oxidative thermal aging in ethylene-propylene rubber (EPR) and chlorinated polyethylene (CPE) materials used in medium voltage nuclear power plant electrical cable insulation and jacketing. Mechanical property changes of the EPR and CPE materials with thermal degradation for correlation with FTIR data are tracked using indenter modulus (IM) testing. IM is often used as a local NDE metric of cable jacket health. The FTIR-determined carbonyl index was found to increase with IM and may be a valuable NDE metric with advantages over IM for assessing cable remaining useful life.« less

Investigations on surface chemical analysis using X-ray photoelectron spectroscopy and optical properties of Dy3+-doped LiNa3P2O7 phosphor

NASA Astrophysics Data System (ADS)

Munirathnam, K.; Dillip, G. R.; Chaurasia, Shivanand; Joo, S. W.; Deva Prasad Raju, B.; John Sushma, N.

2016-08-01

Near white-light emitting LiNa3P2O7:Dy3+ phosphors were prepared by a conventional solid-state reaction method. The orthorhombic crystal structure of the phosphors was confirmed using X-ray diffraction (XRD), and the valence states of the surface elements were determined from the binding energies of Li 1s, O 1s, Na 1s, P 2p, and Dy 3d by X-ray photoelectron spectroscopy (XPS). Attenuated total reflectance (ATR) - Fourier transform infrared (FT-IR) spectroscopy was employed to identify the pyrophosphate groups in the phosphors. Diffuse reflectance spectra (DRS) show the absorption bands of the Dy3+ ions in the host material. Intense blue (481 nm) and yellow (575 nm) emissions were obtained at an excitation wavelength of 351 nm and are attributed to the 4F9/2 → 6H15/2 and 4F9/2 → 6H13/2 transitions of Dy3+ ions, respectively. The combination of these two intense bands generates light emission in the near-white region of the chromaticity diagram.

40 CFR Appendix B to Subpart Uuuuu... - -HCl and HF Monitoring Provisions

Code of Federal Regulations, 2013 CFR

2013-07-01

... extractive Fourier Transform Infrared Spectroscopy (FTIR) continuous emissions monitoring systems in appendix... Fourier Transform Infrared (FTIR) Spectroscopy” (incorporated by reference, see § 63.14), each applied...

40 CFR 98.54 - Monitoring and QA/QC requirements.

Code of Federal Regulations, 2014 CFR

2014-07-01

... Inorganic Emissions by Extractive Fourier Transform Infrared (FTIR) Spectroscopy in 40 CFR part 63, Appendix... Direct Interface Fourier Transform Infrared (FTIR) Spectroscopy (incorporated by reference, see § 98.7...

40 CFR 98.54 - Monitoring and QA/QC requirements.

Code of Federal Regulations, 2011 CFR

2011-07-01

... Inorganic Emissions by Extractive Fourier Transform Infrared (FTIR) Spectroscopy in 40 CFR part 63, Appendix... Direct Interface Fourier Transform Infrared (FTIR) Spectroscopy (incorporated by reference, see § 98.7...

40 CFR 98.54 - Monitoring and QA/QC requirements.

Code of Federal Regulations, 2012 CFR

2012-07-01

... Inorganic Emissions by Extractive Fourier Transform Infrared (FTIR) Spectroscopy in 40 CFR part 63, Appendix... Direct Interface Fourier Transform Infrared (FTIR) Spectroscopy (incorporated by reference, see § 98.7...

40 CFR 98.54 - Monitoring and QA/QC requirements.

Code of Federal Regulations, 2013 CFR

2013-07-01

... Inorganic Emissions by Extractive Fourier Transform Infrared (FTIR) Spectroscopy in 40 CFR part 63, Appendix... Direct Interface Fourier Transform Infrared (FTIR) Spectroscopy (incorporated by reference, see § 98.7...

40 CFR Appendix B to Subpart Uuuuu... - -HCl and HF Monitoring Provisions

Code of Federal Regulations, 2014 CFR

2014-07-01

... extractive Fourier Transform Infrared Spectroscopy (FTIR) continuous emissions monitoring systems in appendix... Fourier Transform Infrared (FTIR) Spectroscopy” (incorporated by reference, see § 63.14), each applied...

Rapid Isolation of Phenol Degrading Bacteria by Fourier Transform Infrared (FTIR) Spectroscopy.

PubMed

Li, Fei; Song, Wen-jun; Wei, Ji-ping; Wang, Su-ying; Liu, Chong-ji

2015-05-01

Phenol is an important chemical engineering material and ubiquitous in industry wastewater, its existence has become a thorny issue in many developed and developing country. More and more stringent standards for effluent all over the world with human realizing the toxicity of phenol have been announced. Many advanced biological methods are applied to industrial wastewater treatment with low cost, high efficiency and no secondary pollution, but the screening of function microorganisms is certain cumbersome process. In our study a rapid procedure devised for screening bacteria on solid medium can degrade phenol coupled with attenuated total reflection fourier transform infrared (ATR-FTIR) which is a detection method has the characteristics of efficient, fast, high fingerprint were used. Principal component analysis (PCA) is a method in common use to extract fingerprint peaks effectively, it couples with partial least squares (PLS) statistical method could establish a credible model. The model we created using PCA-PLS can reach 99. 5% of coefficient determination and validation data get 99. 4%, which shows the promising fitness and forecasting of the model. The high fitting model is used for predicting the concentration of phenol at solid medium where the bacteria were grown. The highly consistent result of two screening methods, solid cultural with ATR-FTIR detected and traditional liquid cultural detected by GC methods, suggests the former can rapid isolate the bacteria which can degrade substrates as well as traditional cumbersome liquid cultural method. Many hazardous substrates widely existed in industry wastewater, most of them has specialize fingerprint peaks detected by ATR-FTIR, thereby this detected method could be used as a rapid detection for isolation of functional microorganisms those can degrade many other toxic substrates.

In vitro evaluation of antibacterial effect of AH Plus incorporated with quaternary ammonium epoxy silicate against Enterococcus faecalis.

PubMed

Gong, Shi-Qiang; Huang, Zhi-Bin; Shi, Wei; Ma, Bo; Tay, Franklin R; Zhou, Bin

2014-10-01

The purpose of this study was to evaluate the in vitro antibacterial effect of AH Plus (Dentsply, DeTrey, Konstanz, Germany) incorporated with quaternary ammonium epoxy silicate (QAES) against Enterococcus faecalis. QAES particles were synthesized by the cocondensation of tetraethoxysilane with 2 trialkoxysilanes (3-[trimethoxysilyl]propyldimethyloctadecyl ammonium chloride and 3-glycidyloxypropyltrimethoxysilane) through a 1-pot sol-gel route. Dried QAES particles were then characterized by attenuated total reflection Fourier transform infrared spectroscopy and scanning electron microscopy. AH Plus sealers incorporated with 0-8 wt% QAES were tested after 4 weeks of water aging to assess the in vitro antibacterial activity against E. faecalis by the direct contact test (DCT) and 3-dimensional image analysis of live/dead-stained E. faecalis biofilms using confocal laser scanning microscopy. The Fourier transform infrared spectroscopy spectrum of QAES particles revealed the coexistence of the characteristic absorbance band of the siloxane backbone (Si-O-Si) from 1,000-1,100 cm(-1), epoxide band peaking at ∼916 cm(-1), and C-N stretching vibration peaking at 1,373 cm(-1). The scanning electron microscopic image showed the spherical morphology of QAES particles with ∼120 nm in diameter and a rough surface. DCT results revealed that AH Plus alone (0 wt% QAES) after 4 weeks of water aging had no inhibitory effect on E. faecalis growth (P = .569). AH Plus incorporated with QAES (2-8 wt%) showed antibacterial activity against E. faecalis as shown in DCT and biofilm viability results (P < .001). The incorporation of QAES into epoxy resin-based AH Plus may be a promising approach for controlling endodontic infection at the time of canal filling and preventing subsequent reinfection. Copyright © 2014 American Association of Endodontists. Published by Elsevier Inc. All rights reserved.

Determination of NIR informative wavebands for transmission non-invasive blood glucose measurement using a Fourier transform spectrometer

NASA Astrophysics Data System (ADS)

Yang, Wenming; Liao, Ningfang; Cheng, Haobo; Li, Yasheng; Bai, Xueqiong; Deng, Chengyang

2018-03-01

Non-invasive blood glucose measurement using near infrared (NIR) spectroscopy relies on wavebands that provide reliable information about spectral absorption. In this study, we investigated wavebands which are informative for blood glucose in the NIR shortwave band (900˜1450 nm) and the first overtone band (1450˜1700 nm) through a specially designed NIR Fourier transform spectrometer (FTS), which featured a test fixture (where a sample or subject's finger could be placed) and all-reflective optics, except for a Michelson structure. Different concentrations of glucose solution and seven volunteers who had undergone oral glucose tolerance tests (OGTT) were studied to acquire transmission spectra in the shortwave band and the first overtone band. Characteristic peaks of glucose absorption were identified from the spectra of glucose aqueous solution by second-order derivative processing. The wavebands linked to blood glucose were successfully estimated through spectra of the middle fingertip of OGTT participants by a simple linear regression and correlation coefficient. The light intensity difference showed that glucose absorption in the first overtone band was much more prominent than it was in the shortwave band. The results of the SLR model established from seven OGTTs in total on seven participants enabled a positive estimation of the glucose-linked wavelength. It is suggested that wavebands with prominent characteristic peaks, a high correlation coefficient between blood glucose and light intensity difference and a relatively low standard deviation of predicted values will be the most informative wavebands for transmission non-invasive blood glucose measurement methods. This work provides a guidance for waveband selection for the development of non-invasive NIR blood glucose measurement.

Metabolism of fatty acids and lipid hydroperoxides in human body monitoring with Fourier transform Infrared Spectroscopy.

PubMed

Yoshida, Satoshi; Zhang, Qin-Zeng; Sakuyama, Shu; Matsushima, Satoshi

2009-07-24

The metabolism of dietary fatty acids in human has been measured so far using human blood cells and stable-isotope labeled fatty acids, however, no direct data was available for human peripheral tissues and other major organs. To realize the role of dietary fatty acids in human health and diseases, it would be eager to develop convenient and suitable method to monitor fatty acid metabolism in human. We have developed the measurement system in situ for human lip surface lipids using the Fourier transform infrared spectroscopy (FTIR) - attenuated total reflection (ATR) detection system with special adaptor to monitor metabolic changes of lipids in human body. As human lip surface lipids may not be much affected by skin sebum constituents and may be affected directly by the lipid constituents of diet, we could detect changes of FTIR-ATR spectra, especially at 3005 to approximately 3015 cm(-1), of lip surface polyunsaturated fatty acids in a duration time-dependent manner after intake of the docosahexaenoic acid (DHA)-containing triglyceride diet. The ingested DHA appeared on the lip surface and was detected by FTIR-ATR directly and non-invasively. It was found that the metabolic rates of DHA for male volunteer subjects with age 60s were much lower than those with age 20s. Lipid hydroperoxides were found in lip lipids which were extracted from the lip surface using a mixture of ethanol/ethylpropionate/iso-octane solvents, and were the highest in the content just before noon. The changes of lipid hydroperoxides were detected also in situ with FTIR-ATR at 968 cm(-1). The measurements of lip surface lipids with FTIR-ATR technique may advance the investigation of human lipid metabolism in situ non-invasively.

Characterization of aqueous interactions of copper-doped phosphate-based glasses by vapour sorption.

PubMed

Stähli, Christoph; Shah Mohammadi, Maziar; Waters, Kristian E; Nazhat, Showan N

2014-07-01

Owing to their adjustable dissolution properties, phosphate-based glasses (PGs) are promising materials for the controlled release of bioinorganics, such as copper ions. This study describes a vapour sorption method that allowed for the investigation of the kinetics and mechanisms of aqueous interactions of PGs of the formulation 50P2O5-30CaO-(20-x)Na2O-xCuO (x=0, 1, 5 and 10mol.%). Initial characterization was performed using (31)P magic angle spinning nuclear magnetic resonance and attenuated total reflectance-Fourier transform infrared spectroscopy. Increasing CuO content resulted in chemical shifts of the predominant Q(2) NMR peak and of the (POP)as and (PO(-)) Fourier transform infrared absorptions, owing to the higher strength of the POCu bond compared to PONa. Vapour sorption and desorption were gravimetrically measured in PG powders exposed to variable relative humidity (RH). Sorption was negligible below 70% RH and increased exponentially with RH from 70 to 90%, where it exhibited a negative correlation with CuO content. Vapour sorption in 0% and 1% CuO glasses resulted in phosphate chain hydration and hydrolysis, as evidenced by protonated Q(0)(1H) and Q(1)(1H) species. Dissolution rates in deionized water showed a linear correlation (R(2)>0.99) with vapour sorption. Furthermore, cation release rates could be predicted based on dissolution rates and PG composition. The release of orthophosphate and short polyphosphate species corroborates the action of hydrolysis and was correlated with pH changes. In conclusion, the agreement between vapour sorption and routine characterization techniques in water demonstrates the potential of this method for the study of PG aqueous reactions. Copyright © 2014 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved.

Detection of Biosignatures in Natural and Microbial Cultured Jarosites Using Laser- Desorption Fourier Transform Mass Spectrometry: Implications for Astrobiology

NASA Astrophysics Data System (ADS)

Kotler, J.; Hinman, N. W.; Yan, B.; Stoner, D. L.; Scott, J. R.

2006-12-01

The jarosite group minerals have received increasing attention since the discovery by the Mars Exploration Rover-Opportunity of jarosite on the Martian surface. The general chemical formula for jarosite is XFe3(SO4)2(OH)6 where the X represents both monovalent and divalent cations that can occupy the axial positions in the crystal structure. Commonly found ions include K+, Na+, H3O+, NH4+, and Pb2+ with reports of other large ions occupying this position in the literature. Modeling efforts have been performed to confirm that jarosite has the ability to incorporate a variety of "foreign" cations. The minerals unique ability to incorporate various large ions in its structure and its association with biological activity in terrestrial environments has lead to investigations regarding its use as an indicator of aqueous and/or biological activity. The use of laser desorption Fourier transform mass spectrometry (LD-FTMS) has revealed the presence of organic matter including the amino acid, glycine, in several jarosite samples from various worldwide locations. Iron precipitates derived from acidophilic microbial cultures were also analyzed. Using attenuated total reflectance infrared spectroscopy (ATR-IR), signals indicative of microbes or microbial exudates were weak and ambiguous. In contrast, LD-FTMS clearly detected bioorganic constituents in some desorption spots. However, the signals were sporadic and required the laser scanning/imaging capability of our laboratory built system to locate the microbial signatures in the heterogeneous samples. The ability to observe these bioorganic signatures in jarosite samples using the instrumental technique employed in this study furthers the goals of planetary geologists to determine whether signs of life (e.g., presence of biomolecules or biomolecule precursors) can be detected in the rock record of terrestrial and extraterrestrial samples.

Assessment of cyanide contamination in soils with a handheld mid-infrared spectrometer.

PubMed

Soriano-Disla, José M; Janik, Leslie J; McLaughlin, Michael J

2018-02-01

We examined the feasibility of using handheld mid-infrared (MIR) Fourier-Transform infrared (FT-IR) instrumentation for detecting and analysing cyanide (CN) contamination in field contaminated soils. Cyanide spiking experiments were first carried out, in the laboratory, to test the sensitivity of infrared Fourier transform (DRIFT) spectrometry to ferro- and ferricyanide compounds across a range of reference soils and minerals. Both benchtop and handheld diffuse reflectance infrared spectrometers were tested. Excellent results were obtained for the reference soils and minerals, with the MIR outperforming the near-infrared (NIR) range. Spectral peaks characteristic of the -C≡N group were observed near 2062 and 2118cm -1 in the MIR region for the ferro- and ferricyanide compounds spiked into soils/minerals, respectively. In the NIR region such peaks were observed near 4134 and 4220cm -1 . Cyanide-contaminated samples were then collected in the field and analyzed with the two spectrometers to further test the applicability of the DRIFT technique for soils containing aged CN residues. The prediction of total CN in dry and ground contaminated soils using the handheld MIR instrument resulted in a coefficient of determination (R 2 ) of 0.88-0.98 and root mean square error of the cross-validation (RMSE) of 21-49mgkg -1 for a CN range of 0-611mgkg -1 . A major peak was observed in the MIR at about 2092cm -1 which was attributed to "Prussian Blue" (Fe 4 [Fe(CN) 6 ] 3 ·xH 2 O). These results demonstrate the potential of handheld DRIFT instrumentation as a promising alternative to the standard laboratory method to predict CN concentrations in contaminated field soils. Crown Copyright © 2017. Published by Elsevier B.V. All rights reserved.

Acquisition and replay systems for direct-to-digital holography and holovision

DOEpatents

Thomas, Clarence E.; Hanson, Gregory R.

2003-02-25

Improvements to the acquisition and replay systems for direct-to-digital holography and holovision are described. A method of recording an off-axis hologram includes: splitting a laser beam into an object beam and a reference beam; reflecting the reference beam from a reference beam mirror; reflecting the object beam from an illumination beamsplitter; passing the object beam through an objective lens; reflecting the object beam from an object; focusing the reference beam and the object beam at a focal plane of a digital recorder to form an off-axis hologram; digitally recording the off-axis hologram; and transforming the off-axis hologram in accordance with a Fourier transform to obtain a set of results. A method of writing an off-axis hologram includes: passing a laser beam through a spatial light modulator; and focusing the laser beam at a focal plane of a photorefractive crystal to impose a holographic diffraction grating pattern on the photorefractive crystal. A method of replaying an off-axis hologram includes: illuminating a photorefractive crystal having a holographic diffraction grating with a replay beam.

High Accuracy Evaluation of the Finite Fourier Transform Using Sampled Data

NASA Technical Reports Server (NTRS)

Morelli, Eugene A.

1997-01-01

Many system identification and signal processing procedures can be done advantageously in the frequency domain. A required preliminary step for this approach is the transformation of sampled time domain data into the frequency domain. The analytical tool used for this transformation is the finite Fourier transform. Inaccuracy in the transformation can degrade system identification and signal processing results. This work presents a method for evaluating the finite Fourier transform using cubic interpolation of sampled time domain data for high accuracy, and the chirp Zeta-transform for arbitrary frequency resolution. The accuracy of the technique is demonstrated in example cases where the transformation can be evaluated analytically. Arbitrary frequency resolution is shown to be important for capturing details of the data in the frequency domain. The technique is demonstrated using flight test data from a longitudinal maneuver of the F-18 High Alpha Research Vehicle.

3-D surface profilometry based on modulation measurement by applying wavelet transform method

NASA Astrophysics Data System (ADS)

Zhong, Min; Chen, Feng; Xiao, Chao; Wei, Yongchao

2017-01-01

A new analysis of 3-D surface profilometry based on modulation measurement technique by the application of Wavelet Transform method is proposed. As a tool excelling for its multi-resolution and localization in the time and frequency domains, Wavelet Transform method with good localized time-frequency analysis ability and effective de-noizing capacity can extract the modulation distribution more accurately than Fourier Transform method. Especially for the analysis of complex object, more details of the measured object can be well remained. In this paper, the theoretical derivation of Wavelet Transform method that obtains the modulation values from a captured fringe pattern is given. Both computer simulation and elementary experiment are used to show the validity of the proposed method by making a comparison with the results of Fourier Transform method. The results show that the Wavelet Transform method has a better performance than the Fourier Transform method in modulation values retrieval.

40 CFR Appendix B to Subpart Uuuuu - -HCl and HF Monitoring Provisions

Code of Federal Regulations, 2012 CFR

2012-07-01

... Fourier Transform Infrared Spectroscopy (FTIR) continuous emissions monitoring systems in appendix B to... Fourier Transform Infrared (FTIR) Spectroscopy” (incorporated by reference, see § 63.14), each applied...

Structural correlation of the chalcogenide Ge40Se60 glass

NASA Astrophysics Data System (ADS)

Moharram, A. H.

2017-01-01

Binary Ge40Se60 glass was prepared using the melt-quench technique. The total structure factors, S( K), are obtained using the X-ray diffraction in the wave vector interval 0.28 ≤ K ≤ 6.5 Å-1. The appearance of the first sharp diffraction peak (FSDP) in the structure factor indicates the presence of the intermediate range order. Radial distribution functions, RDF( r), have been obtained using either the conventional (Fourier) transformation or the Monte Carlo simulation of the experimental X-ray data. The short range order parameters deduced from the Monte Carlo total correlation, T( r), functions are better than those obtained from the conventional (Fourier) T( r) data. Gaussian analyses of the total correlation function show that Ge2(Se1/2)6 molecular units are the basic structural units for the investigated Ge40Se60 glass.

Carbon Monoxide Adsorption on a Platinum Electrode Studied by Polarization Modulated FT-IRRAS (Fourier Transform - IR Reflection Absorption Spectroscopy). I. CO Adsorbed in the Double Layer Potential Region and Its Oxidation in Acids.

DTIC Science & Technology

1984-11-01

TR-B N888i4-82-C- 8583 UNCLASSIFIED F/G 7/4 N C 11101106 il iii 3 6 2 0 o 1 1.25 i 111 6 - (f11 MICROCOPY RESOLUTION TEST CHART NATIONAL BUREAU OF...this report) Unclassified ISO . DECLASSIFICATION, DOWNGRADING SCHEDULE 4 16. DISTRIBUTION STATEMENT (of this Report) Approved for public release

Digital algorithm for dispersion correction in optical coherence tomography for homogeneous and stratified media.

PubMed

Marks, Daniel L; Oldenburg, Amy L; Reynolds, J Joshua; Boppart, Stephen A

2003-01-10

The resolution of optical coherence tomography (OCT) often suffers from blurring caused by material dispersion. We present a numerical algorithm for computationally correcting the effect of material dispersion on OCT reflectance data for homogeneous and stratified media. This is experimentally demonstrated by correcting the image of a polydimethyl siloxane microfludic structure and of glass slides. The algorithm can be implemented using the fast Fourier transform. With broad spectral bandwidths and highly dispersive media or thick objects, dispersion correction becomes increasingly important.

Digital Algorithm for Dispersion Correction in Optical Coherence Tomography for Homogeneous and Stratified Media

NASA Astrophysics Data System (ADS)

Marks, Daniel L.; Oldenburg, Amy L.; Reynolds, J. Joshua; Boppart, Stephen A.

2003-01-01

The resolution of optical coherence tomography (OCT) often suffers from blurring caused by material dispersion. We present a numerical algorithm for computationally correcting the effect of material dispersion on OCT reflectance data for homogeneous and stratified media. This is experimentally demonstrated by correcting the image of a polydimethyl siloxane microfludic structure and of glass slides. The algorithm can be implemented using the fast Fourier transform. With broad spectral bandwidths and highly dispersive media or thick objects, dispersion correction becomes increasingly important.

A method for turbine blade temperature data segmentation

NASA Astrophysics Data System (ADS)

Feng, Chi; Wang, Li; Gao, Shan

2017-08-01

Turbine blade, as one of the key components of the engine, operates in the badly working conditions. In order to better monitor the temperature status of turbine blades, research on temperature distribution of working blades is significant. The paper applies discrete Fourier transform to develop mathematical models, and the changes of period and peaks are summarized. The changing trends of temperature are reflected in each blade. The trends can be treated as one of the bases of the blade condition monitoring and fault diagnosis.

Insights into the Aggregation Mechanism of PolyQ Proteins with Different Glutamine Repeat Lengths.

PubMed

Yushchenko, Tetyana; Deuerling, Elke; Hauser, Karin

2018-04-24

Polyglutamine (polyQ) diseases, including Huntington's disease, result from the aggregation of an abnormally expanded polyQ repeat in the affected protein. The length of the polyQ repeat is essential for the disease's onset; however, the molecular mechanism of polyQ aggregation is still poorly understood. Controlled conditions and initiation of the aggregation process are prerequisites for the detection of transient intermediate states. We present an attenuated total reflection Fourier-transform infrared spectroscopic approach combined with protein immobilization to study polyQ aggregation dependent on the polyQ length. PolyQ proteins were engineered mimicking the mammalian N-terminus fragment of the Huntingtin protein and containing a polyQ sequence with the number of glutamines below (Q11), close to (Q38), and above (Q56) the disease threshold. A monolayer of the polyQ construct was chemically immobilized on the internal reflection element of the attenuated total reflection cell, and the aggregation was initiated via enzymatic cleavage. Structural changes of the polyQ sequence were monitored by time-resolved infrared difference spectroscopy. We observed faster aggregation kinetics for the longer sequences, and furthermore, we could distinguish β-structured intermediates for the different constructs, allowing us to propose aggregation mechanisms dependent on the repeat length. Q11 forms a β-structured aggregate by intermolecular interaction of stretched monomers, whereas Q38 and Q56 undergo conformational changes to various β-structured intermediates, including intramolecular β-sheets. Copyright © 2018 Biophysical Society. Published by Elsevier Inc. All rights reserved.

Ultra-broadband infrared pump-probe spectroscopy using synchrotron radiation and a tuneable pump.

PubMed

Carroll, Lee; Friedli, Peter; Lerch, Philippe; Schneider, Jörg; Treyer, Daniel; Hunziker, Stephan; Stutz, Stefan; Sigg, Hans

2011-06-01

Synchrotron infrared sources have become popular mainly because of their excellent broadband brilliance, which enables spectroscopically resolved spatial-mapping of stationary objects at the diffraction limit. In this article we focus on an often-neglected further advantage of such sources - their unique time-structure - to bring such broadband spectroscopy to the time domain, for studying dynamic phenomenon down to the 100 ps limit. We describe the ultra-broadband (12.5 to 1.1 μm) Fourier transform pump-probe setup, for condensed matter transmission- and reflection-spectroscopy, installed at the X01DC infrared beam-line of the Swiss Light Source (SLS). The optical pump consists of a widely tuneable 100 ps 1 kHz laser system, covering 94% of the 16 to 1.1 μm range. A thorough description of the system is given, including (i) the vector-modulator providing purely electronic tuning of the pump-probe overlap up to 1 ms with sub-ps time resolution, (ii) the 500 MHz data acquisition system interfaced with the experimental physics and industrial control system (EPICS) based SLS control system for consecutive pulse sampling, and (iii) the step-scan time-slice Fourier transform scheme for simultaneous recording of the dual-channel pumped, un-pumped, and difference spectra. The typical signal/noise ratio of a single interferogram in a 100 ps time slice is 300 (measured during one single 140 s TopUp period). This signal/noise ratio is comparable to that of existing gated Globar pump-probe Fourier transform spectroscopy, but brings up to four orders of magnitude better time resolution. To showcase the utility of broadband pump-probe spectroscopy, we investigate a Ge-on-Si material system similar to that in which optically pumped direct-gap lasing was recently reported. We show that the mid-infrared reflection-spectra can be used to determine the optically injected carrier density, while the mid- and near-infrared transmission-spectra can be used to separate the strong pump-induced absorption and inversion processes present at the direct-gap energy. © 2011 American Institute of Physics

High-Resolution Fourier Transform Infrared Spectrum of the ν 12 Fundamental Band of Ethylene (C 2H 4)

NASA Astrophysics Data System (ADS)

Tan, T. L.; Lau, S. Y.; Ong, P. P.; Goh, K. L.; Teo, H. H.

2000-10-01

The infrared spectrum of the ν12 fundamental band of ethylene (C2H4) has been measured with an unapodized resolution of 0.004 cm-1 in the frequency range of 1380-1500 cm-1 using the Fourier transform technique. By assigning and fitting a total of 1387 infrared transitions using a Watson's A-reduced Hamiltonian in the Ir representation, rovibrational constants for the upper state (v12 = 1) up to five quartic and three sextic centrifugal distortions terms were derived. They represent the most accurate constants for the band so far. The rms deviation of the fit was 0.00033 cm-1. The A-type ν12 band with a band center at 1442.44299 ± 0.00003 cm-1 was found to be relatively free from local frequency perturbations. The inertial defect Δ12 was found to be 0.24201 ± 0.00002 u Å2.

High-resolution Fourier transform infrared spectroscopy and analysis of the ν12 fundamental band of ethylene- d4

NASA Astrophysics Data System (ADS)

Tan, T. L.; Goh, K. L.; Ong, P. P.; Teo, H. H.

1999-12-01

The Fourier transform infrared (IR) spectrum of the ν12 fundamental band of ethylene- d4 (C 2D 4) has been measured with an unapodized resolution of 0.004 cm -1 in the frequency range of 1030-1130 cm -1. A total of 1340 assigned transitions have been analyzed and fitted using a Watson's A-reduced Hamiltonian in the Ir representation to derive rovibrational constants for the upper state ( v12=1) up to five quartic terms with a standard deviation of 0.00042 cm -1. They represent the most accurate constants for the band thus far. The ground state rovibrational constants were also further improved by a fit of combination-differences from the IR measurements. The relatively unperturbed band was found to be basically A-type with a band centre at 1076.98492±0.00003 cm -1.

Characterization of PMR-15 polyimide composition in thermo-oxidatively exposed graphite fiber composites

NASA Technical Reports Server (NTRS)

Alston, W. B.

1980-01-01

The contributions of individual resin components to total resin weight loss in 600 F air aged Celion 6000/PMR-15 polyimide composites were determined from the overall resin weight loss in the composite by chemically separating the PMR-15 matrix resin into its monomeric components. The individual resin components were also analyzed by spectroscopic techniques in order to elucidate curing and degradation mechanisms of the PMR-15 matrix resin. The isothermal weight loss of the individual resin components during prolonged 600 F thermo-oxidative aging of the composite was correlated to the changes observed in the Fourier Transform infrared spectra and Fourier Transform nuclear magnetic resonance spectra of the individual resin components. The correlation was used to identify the molecular site of the thermo-oxidative changes in PMR-15 polyimide matrix resin during 600 F curing the prolonged 600 F thermo-oxidative aging.

Geographical traceability of Marsdenia tenacissima by Fourier transform infrared spectroscopy and chemometrics

NASA Astrophysics Data System (ADS)

Li, Chao; Yang, Sheng-Chao; Guo, Qiao-Sheng; Zheng, Kai-Yan; Wang, Ping-Li; Meng, Zhen-Gui

2016-01-01

A combination of Fourier transform infrared spectroscopy with chemometrics tools provided an approach for studying Marsdenia tenacissima according to its geographical origin. A total of 128 M. tenacissima samples from four provinces in China were analyzed with FTIR spectroscopy. Six pattern recognition methods were used to construct the discrimination models: support vector machine-genetic algorithms, support vector machine-particle swarm optimization, K-nearest neighbors, radial basis function neural network, random forest and support vector machine-grid search. Experimental results showed that K-nearest neighbors was superior to other mathematical algorithms after data were preprocessed with wavelet de-noising, with a discrimination rate of 100% in both the training and prediction sets. This study demonstrated that FTIR spectroscopy coupled with K-nearest neighbors could be successfully applied to determine the geographical origins of M. tenacissima samples, thereby providing reliable authentication in a rapid, cheap and noninvasive way.