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...

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

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.

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.

Fourier-transform imaging of cotton and botanical and field trash mixtures

USDA-ARS?s Scientific Manuscript database

Botanical and field cotton trash comingled with cotton lint can greatly reduce the marketability and quality of cotton. Trash can be found comingled with cotton lint during harvesting, ginning, and processing, thus this study is of interest. Attenuated Total Reflectance-Fourier Transform Infrared (A...

Effect of radiance-to-reflectance transformation and atmosphere removal on maximum likelihood classification accuracy of high-dimensional remote sensing data

NASA Technical Reports Server (NTRS)

Hoffbeck, Joseph P.; Landgrebe, David A.

1994-01-01

Many analysis algorithms for high-dimensional remote sensing data require that the remotely sensed radiance spectra be transformed to approximate reflectance to allow comparison with a library of laboratory reflectance spectra. In maximum likelihood classification, however, the remotely sensed spectra are compared to training samples, thus a transformation to reflectance may or may not be helpful. The effect of several radiance-to-reflectance transformations on maximum likelihood classification accuracy is investigated in this paper. We show that the empirical line approach, LOWTRAN7, flat-field correction, single spectrum method, and internal average reflectance are all non-singular affine transformations, and that non-singular affine transformations have no effect on discriminant analysis feature extraction and maximum likelihood classification accuracy. (An affine transformation is a linear transformation with an optional offset.) Since the Atmosphere Removal Program (ATREM) and the log residue method are not affine transformations, experiments with Airborne Visible/Infrared Imaging Spectrometer (AVIRIS) data were conducted to determine the effect of these transformations on maximum likelihood classification accuracy. The average classification accuracy of the data transformed by ATREM and the log residue method was slightly less than the accuracy of the original radiance data. Since the radiance-to-reflectance transformations allow direct comparison of remotely sensed spectra with laboratory reflectance spectra, they can be quite useful in labeling the training samples required by maximum likelihood classification, but these transformations have only a slight effect or no effect at all on discriminant analysis and maximum likelihood classification accuracy.

Preliminary spectral and geologic analysis of Landsat-4 Thematic Mapper data, Wind River Basin area, Wyoming

NASA Technical Reports Server (NTRS)

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

1985-01-01

A Landsat-4 Thematic Mapper (TM) image of the Wind River Basin area in Wyoming is currently under analysis for stratigraphic and structural mapping and for assessment of spectral and spatial characteristics using visible, near infrared, and short wavelength infrared bands. To estimate the equivalent Lambertian surface reflectance, TM radiance data were calibrated to remove atmospheric and instrumental effects. Reflectance measurements for homogeneous natural and cultural targets were acquired about one year after data acquisition. Calibration data obtained during the analysis were used to calculate new gains and offsets to improve scanner response for earth science applications. It is shown that the principal component images calculated from the TM data were the result of linear transformations of ground reflectance. In images prepared from this transform, the separation of spectral classes was independent of systematic atmospheric and instrumental factors. Several examples of the processed images are provided.

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.

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…

Emergence of Very Broad Infrared Absorption Band By Hyperdoping of Silicon with Chalcogens

DTIC Science & Technology

2013-06-03

measured by Hall effect in Ref. 9 (crosses) as functions of implanted sulfur dose. (c) Calculated reflectivity by Kramers- Kronig transformation of the...MIR band is small enough, this assumption is reasonable according to the Kramers- Kronig relationship between optical absorption and reflectivity...calculated by a Kramers- Kronig transformation of the absorption spectrum shown in Fig. 1(a) and the results are shown in Fig. 1(c). However, the a value

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.

Direct measurement of the effective infrared dielectric response of a highly doped semiconductor metamaterial.

PubMed

Al Mohtar, Abeer; Kazan, Michel; Taliercio, Thierry; Cerutti, Laurent; Blaize, Sylvain; Bruyant, Aurélien

2017-03-24

We have investigated the effective dielectric response of a subwavelength grating made of highly doped semiconductors (HDS) excited in reflection, using numerical simulations and spectroscopic measurement. The studied system can exhibit strong localized surface resonances and has, therefore, a great potential for surface-enhanced infrared absorption (SEIRA) spectroscopy application. It consists of a highly doped InAsSb grating deposited on lattice-matched GaSb. The numerical analysis demonstrated that the resonance frequencies can be inferred from the dielectric function of an equivalent homogeneous slab by accounting for the complex reflectivity of the composite layer. Fourier transform infrared reflectivity (FTIR) measurements, analyzed with the Kramers-Kronig conversion technique, were used to deduce the effective response in reflection of the investigated system. From the knowledge of this phenomenological dielectric function, transversal and longitudinal energy-loss functions were extracted and attributed to transverse and longitudinal resonance modes frequencies.

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.

Application of linear discriminant analysis and Attenuated Total Reflectance Fourier Transform Infrared microspectroscopy for diagnosis of colon cancer.

PubMed

Khanmohammadi, Mohammadreza; Bagheri Garmarudi, Amir; Samani, Simin; Ghasemi, Keyvan; Ashuri, Ahmad

2011-06-01

Attenuated Total Reflectance Fourier Transform Infrared (ATR-FTIR) microspectroscopy was applied for detection of colon cancer according to the spectral features of colon tissues. Supervised classification models can be trained to identify the tissue type based on the spectroscopic fingerprint. A total of 78 colon tissues were used in spectroscopy studies. Major spectral differences were observed in 1,740-900 cm(-1) spectral region. Several chemometric methods such as analysis of variance (ANOVA), cluster analysis (CA) and linear discriminate analysis (LDA) were applied for classification of IR spectra. Utilizing the chemometric techniques, clear and reproducible differences were observed between the spectra of normal and cancer cases, suggesting that infrared microspectroscopy in conjunction with spectral data processing would be useful for diagnostic classification. Using LDA technique, the spectra were classified into cancer and normal tissue classes with an accuracy of 95.8%. The sensitivity and specificity was 100 and 93.1%, respectively.

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.

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.

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.

[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.

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…

Use of near infrared/red radiance ratios for estimating vegetation biomass and physiological status

NASA Technical Reports Server (NTRS)

Tucker, C. J.

1977-01-01

The application of photographic infrared/red (ir/red) reflectance or radiance ratios for the estimation of vegetation biomass and physiological status were investigated by analyzing in situ spectral reflectance data from experimental grass plots. Canopy biological samples were taken for total wet biomass, total dry biomass, leaf water content, dry green biomass, dry brown biomass, and total chlorophyll content at each sampling date. Integrated red and photographic infrared radiances were regressed against the various canopy or plot variables to determine the relative significance between the red, photographic infrared, and the ir/red ratio and the canopy variables. The ir/red ratio is sensitive to the photosynthetically active or green biomass, the rate of primary production, and actually measures the interaction between the green biomass and the rate of primary production within a given species type. The ir/red ratio resulted in improved regression significance over the red or the ir/radiances taken separately. Only slight differences were found between ir/red ratio, the ir-red difference, the vegetation index, and the transformed vegetation index. The asymptotic spectral radiance properties of the ir, red, ir/red ratio, and the various transformations were evaluated.

Microplastics on sandy beaches of the Baja California Peninsula, Mexico.

PubMed

Piñon-Colin, Teresita de Jesus; Rodriguez-Jimenez, Ruben; Pastrana-Corral, Miguel Angel; Rogel-Hernandez, Eduardo; Wakida, Fernando Toyohiko

2018-06-01

Microplastics have become a concern in recent years because of their negative impact on marine and freshwater environments. Twenty-one sandy beach sites were sampled to investigate the occurrence and distribution of microplastics on the sandy beaches of the Baja California Peninsula, Mexico, as well as their spectroscopic characterization and morphology. Microplastics were separated using the density method and identified using Attenuated Total Reflection Fourier Transform Infrared Spectroscopy (ATR-FTIR). The mean abundance of microplastics in the samples was 135 ± 92 particles kg−1, and fiber was the most abundant microplastic found in the samples, comprising 91% of the total microplastics identified. Attenuated total reflectance Fourier transform infrared spectroscopy (ATR-FTIR) analysis of the microplastics showed that the main polymers found in microplastics were polyacrylic, polyacrylamide, polyethylene terephthalate, polyesters, and nylon.

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.

Design of far-infrared acousto-optic tunable filter based on backward collinear interaction.

PubMed

Voloshinov, Vitaly B; Porokhovnichenko, Dmitriy L; Dyakonov, Evgeniy A

2018-04-10

The paper proposes a design of acousto-optic cell applying backward collinear interaction and acoustic mode transformation in a KRS-5 crystal. This cell may serve as an acousto-optic tunable filter for far-infrared spectral range and is able to operate both with collimated optical beams and with divergent beams forming images. The problem of acoustic mode transformation by wave reflection from the crystal facet away from symmetry planes has been solved. Polarization properties of the backward collinear interaction in optically isotropic media are discussed. Copyright © 2018 Elsevier B.V. All rights reserved.

Dehydration of Uranyl Nitrate Hexahydrate to Uranyl Nitrate Trihydrate under Ambient Conditions as Observed via Dynamic Infrared Reflectance Spectroscopy

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

Johnson, Timothy J.; Sweet, Lucas E.; Meier, David E.

2015-05-22

the hexahydrate [UO 2(NO 3) 2(H 2O) 6] (UNH) and the trihydrate [UO 2(NO 3) 2(H 2O) 3] (UNT) forms. Their stabilities depend on both relative humidity and temperature. Both phases have previously been studied by infrared transmission spectroscopy, but the data were limited by both instrumental resolution and the ability to prepare the samples as pellets without desiccating them. We report time-resolved infrared (IR) measurements using an integrating sphere that allow us to observe the transformation from the hexahydrate to the trihydrate simply by flowing dry nitrogen gas over the sample. Hexahydrate samples were prepared and confirmed via knownmore » XRD patterns, then measured in reflectance mode. The hexahydrate has a distinct uranyl asymmetric stretch band at 949.0 cm -1 that shifts to shorter wavelengths and broadens as the sample dehydrates and recrystallizes to the trihydrate, first as a blue edge shoulder but ultimately resulting in a doublet band with reflectance peaks at 966 and 957 cm -1. The data are consistent with transformation from UNH to UNT since UNT has two non-equivalent UO 2 2+ sites. The dehydration of UO 2(NO 3) 2(H 2O) 6 to UO 2(NO 3) 2(H 2O) 3 is both a morphological and structural change that has the lustrous lime green crystals changing to the dull greenish yellow of the trihydrate. Crystal structures and phase transformation were confirmed theoretically using DFT calculations and experimentally via microscopy methods. Both methods showed a transformation with two distinct sites for the uranyl cation in the trihydrate, as opposed to a single crystallographic site in the hexahydrate.« less

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.

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.

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.

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.

Polarized Infrared Reflectance Studies of Quaternary In0.04Al0.06Ga0.90N

NASA Astrophysics Data System (ADS)

Bakhori, S. K. Mohd; Lee, S. C.; Ahmad, M. A.; Ng, S. S.; Hassan, H. Abu

2010-07-01

Group III-nitride has re-gained considerable interest recently as wide direct band gap semiconductor materials for opto-electronic and high power devices. The quaternary InAlGaN have great flexibility in tailoring their band gap profile while maintaining their lattice-matching and structural integrity. In this study, we report for the first time the polarized infrared (IR) reflectance studies of quaternary In0.04Al0.06Ga0.90N by using Fourier transform infrared spectroscopy of Perkin-Elmer. The quaternary In0.04Al0.06Ga0.90N epilayers was grown on sapphire by molecular beam epitaxy. The polarized IR reflectance spectra obtained at incident angle of 15° were then compared with modeling spectrum of damped harmonic oscillator. Through this study, the transverse and longitudinal optical phonon modes of quaternary In0.04Al0.06Ga0.90N epilayers were obtained.

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.

Attenuated Total Reflection Fourier Transform Infrared Spectroscopy (ATR FT-IR) Mapping Coupled with Multivariate Curve Resolution (MCR) for Studying the Miscibility of Chlorobutyl Rubber/Polyamide-12 Blends.

PubMed

Tang, Yongjiao; Jing, Nan; Zhang, Pudun

2015-11-01

A series of chlorobutyl rubber/polyamide-12 (CIIR/PA-12) blends compatibilized by different amounts of maleic anhydride (MAH) grafted polypropylene (PP-g-MAH) were investigated by attenuated total reflection Fourier transform infrared spectroscopy (ATR FT-IR) mapping. Multivariate curve resolution (MCR) was used to process the FT-IR images. Both the spectra of pure components in the blends and their concentration distributions in a micro-region were acquired. Our results demonstrated that the blend with 15 parts per hundred rubber PP-g-MAH showed the best miscibility. An amide interphase and an imide interphase were inferred by analyzing the spectra of MCR component 3 of the blends with and without PP-g-MAH, respectively. Correspondingly, two different compatibilizing mechanisms were proposed for these blends.

Application of attenuated total reflectance Fourier transform infrared spectroscopy for determination of cefixime in oral pharmaceutical formulations.

PubMed

Kandhro, Aftab A; Laghari, Abdul Hafeez; Mahesar, Sarfaraz A; Saleem, Rubina; Nelofar, Aisha; Khan, Salman Tariq; Sherazi, S T H

2013-11-01

A quick and reliable analytical method for the quantitative assessment of cefixime in orally administered pharmaceutical formulations is developed by using diamond cell attenuated total reflectance (ATR) Fourier transform infrared (FT-IR) spectroscopy as an easy procedure for quality control laboratories. The standards for calibration were prepared in aqueous medium ranging from 350 to 6000mg/kg. The calibration model was developed based on partial least square (PLS) using finger print region of FT-IR spectrum in the range from 1485 to 887cm(-1). Excellent coefficient of determination (R(2)) was achieved as high as 0.99976 with root mean square error of 44.8 for calibration. The application of diamond cell (smart accessory) ATR FT-IR proves a reliable determination of cefixime in pharmaceutical formulations to assess the quality of the final product. Copyright © 2013 Elsevier B.V. All rights reserved.

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.

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.

Optimally designed narrowband guided-mode resonance reflectance filters for mid-infrared spectroscopy

PubMed Central

Liu, Jui-Nung; Schulmerich, Matthew V.; Bhargava, Rohit; Cunningham, Brian T.

2011-01-01

An alternative to the well-established Fourier transform infrared (FT-IR) spectrometry, termed discrete frequency infrared (DFIR) spectrometry, has recently been proposed. This approach uses narrowband mid-infrared reflectance filters based on guided-mode resonance (GMR) in waveguide gratings, but filters designed and fabricated have not attained the spectral selectivity (≤ 32 cm−1) commonly employed for measurements of condensed matter using FT-IR spectroscopy. With the incorporation of dispersion and optical absorption of materials, we present here optimal design of double-layer surface-relief silicon nitride-based GMR filters in the mid-IR for various narrow bandwidths below 32 cm−1. Both shift of the filter resonance wavelengths arising from the dispersion effect and reduction of peak reflection efficiency and electric field enhancement due to the absorption effect show that the optical characteristics of materials must be taken into consideration rigorously for accurate design of narrowband GMR filters. By incorporating considerations for background reflections, the optimally designed GMR filters can have bandwidth narrower than the designed filter by the antireflection equivalence method based on the same index modulation magnitude, without sacrificing low sideband reflections near resonance. The reported work will enable use of GMR filters-based instrumentation for common measurements of condensed matter, including tissues and polymer samples. PMID:22109445

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.

An algorithm for chlorophyll using first difference transformations of AVIRIS reflectance spectra

NASA Technical Reports Server (NTRS)

Novo, Evlyn; Gastil, Mary; Melack, John

1995-01-01

Experimental results have shown the existence of a strong relationship between chlorophyll alpha concentration and remote sensing reflectance measured at lake level with a high resolution spectroradiometer. The objective of our study was to investigate the relationship between surface chlorophyll alpha concentration at Mono Lake and water reflectance retrieved from Airborne Visible - Infrared Imaging Spectrometer (AVIRIS) data obtained in october 7, 1992. AVIRIS data were atmospherically corrected as described by Green et al. A description of the lake-level sampling is found in Melack and Gastil. The relationship between chlorophyll concentration and both the single band reflectance and the first difference transformation of the reflectance spectra for the first 40 AVIRIS spectral bands (400 nm to 740 nm) was examined. The relationship was then used to produce a map of the surface chlorophyll distribution.

Solid state linear dichroic infrared spectral analysis of benzimidazoles and their N 1-protonated salts

NASA Astrophysics Data System (ADS)

Ivanova, B. B.

2005-11-01

A stereo structural characterization of 2,5,6-thrimethylbenzimidazole (MBIZ) and 2-amino-benzimidaziole (2-NH 2-BI) and their N 1 protonation salts was carried out using a polarized solid state linear dichroic infrared spectral (IR-LD) analysis in nematic liquid crystal suspension. All experimental predicted structures were compared with the theoretical ones, obtained by ab initio calculations. The Cs to C2v* symmetry transformation as a result of protonation processes, with a view of its reflection on the infrared spectral characteristics was described.

Ambient infrared laser ablation mass spectrometry (AIRLAB-MS) with plume capture by continuous flow solvent probe

DOEpatents

O'Brien, Jeremy T.; Williams, Evan R.; Holman, Hoi-Ying N.

2017-10-31

A new experimental setup for spatially resolved ambient infrared laser ablation mass spectrometry (AIRLAB-MS) that uses an infrared microscope with an infinity-corrected reflective objective and a continuous flow solvent probe coupled to a Fourier transform ion cyclotron resonance mass spectrometer is described. The efficiency of material transfer from the sample to the electrospray ionization emitter was determined using glycerol/methanol droplets containing 1 mM nicotine and is .about.50%. This transfer efficiency is significantly higher than values reported for similar techniques.

The bioscouring performance of four polygalacturonase enzymes

USDA-ARS?s Scientific Manuscript database

Fourier Transform Infrared Attenuated Total Reflectance (FTIR-ATR) analyses of greige cotton fabrics bioscoured with a combination of ultrasound and endo- and exo-polygalacturonase enzymes obtained from Rhizopus sp. fungi were used in a fractional factorial design experiment to examine their perform...

Relation of agronomic and multispectral reflectance characteristics of spring wheat canopies

NASA Technical Reports Server (NTRS)

Bauer, M. E. (Principal Investigator); Ahlrichs, J. S.

1982-01-01

The relationships between crop canopy variables such as leaf area index (LAI) and their multispectral reflectance properties were investigated along with the potential for estimating canopy variables from remotely sensed reflectance measurements. Reflectance spectra over the 0.4 to 2.5 micron wavelength range were acquired during each of the major development stages of spring wheat canopies at Williston, North Dakota, during three seasons. Treatments included planting date, N fertilization, cultivar, and soil moisture. Agronomic measurements included development stage, biomass, LAI, and percent soil cover. High correlations were found between reflectance and percent cover, LAI, and biomass. A near infrared wavelength band, 0.76 to 0.90 microns, was most important in explaining variation in LAI and percent cover, while a middle infrared band, 2.08 to 2.35 microns, explained the most variation in biomass and plant water content. Transformations, including the near infrared/red reflectance ratio and greenness index, were also highly correlated to canopy variables. The relationship of canopy variables to reflectance decreased as the crop began to ripen. the canopy variables could be accurately predicted using measurements from three to five wavelength bands. The wavelength bands proposed for the thematic mapper sensor were more strongly related to the canopy variables than the LANDSAT MSS bands.

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.

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.

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.

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

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.

Identification of trace additives in polymer materials by attenuated total reflection Fourier transform infrared mapping coupled with multivariate curve resolution

NASA Astrophysics Data System (ADS)

Li, Qian; Tang, Yongjiao; Yan, Zhiwei; Zhang, Pudun

2017-06-01

Although multivariate curve resolution (MCR) has been applied to the analysis of Fourier transform infrared (FTIR) imaging, it is still problematic to determine the number of components. The reported methods at present tend to cause the components of low concentration missed. In this paper a new idea was proposed to resolve this problem. First, MCR calculation was repeated by increasing the number of components sequentially, then each retrieved pure spectrum of as-resulted MCR component was directly compared with a real-world pixel spectrum of the local high concentration in the corresponding MCR map. One component was affirmed only if the characteristic bands of the MCR component had been included in its pixel spectrum. This idea was applied to attenuated total reflection (ATR)/FTIR mapping for identifying the trace additives in blind polymer materials and satisfactory results were acquired. The successful demonstration of this novel approach opens up new possibilities for analyzing additives in polymer materials.

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.

Classification of pumpkin seed oils according to their species and genetic variety by attenuated total reflection Fourier-transform infrared spectroscopy.

PubMed

Saucedo-Hernández, Yanelis; Lerma-García, María Jesús; Herrero-Martínez, José Manuel; Ramis-Ramos, Guillermo; Jorge-Rodríguez, Elisa; Simí-Alfonso, Ernesto F

2011-04-27

Attenuated total reflection Fourier-transform infrared spectroscopy (ATR-FTIR), followed by multivariate treatment of the spectral data, was used to classify seed oils of the genus Cucurbita (pumpkins) according to their species as C. maxima, C. pepo, and C. moschata. Also, C. moschata seed oils were classified according to their genetic variety as RG, Inivit C-88, and Inivit C-2000. Up to 23 wavelength regions were selected on the spectra, each region corresponding to a peak or shoulder. The normalized absorbance peak areas within these regions were used as predictors. Using linear discriminant analysis (LDA), an excellent resolution among all categories concerning both Cucurbita species and C. moschata varieties was achieved. The proposed method was straightforward and quick and can be easily implemented. Quality control of pumpkin seed oils is important because Cucurbita species and genetic variety are both related to the pharmaceutical properties of the oils.

Minimally invasive screening for colitis using attenuated total internal reflectance Fourier transform infrared spectroscopy

PubMed Central

Titus, Jitto; Viennois, Emilie; Merlin, Didier; Perera, A. G. Unil

2016-01-01

This article describes a rapid, simple and cost-effective technique that could lead to a screening method for colitis without the need for biopsies or in vivo measurements. This screening technique includes the testing of serum using Attenuated Total Reflectance Fourier Transform Infrared (ATR-FTIR) spectroscopy for the colitis-induced increased presence of mannose. Chronic (Interleukin 10 knockout) and acute (Dextran Sodium Sulphate-induced) models for colitis are tested using the ATR-FTIR technique. Arthritis (Collagen Antibody Induced Arthritis) and metabolic syndrome (Toll like receptor 5 knockout) models are also tested as controls. The marker identified as mannose uniquely screens and distinguishes the colitic from the non-colitic samples and the controls. The reference or the baseline spectrum could be the pooled and averaged spectra of non-colitic samples or the subject's previous sample spectrum. This shows the potential of having individualized route maps of disease status, leading to personalized diagnosis and drug management. PMID:27094092

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.

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.

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.

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.

Optical phonon characteristics of an orthorhombic-transformed polymorph of CaTa2O6 single crystal fibre

NASA Astrophysics Data System (ADS)

Almeida, R. M.; Andreeta, M. R. B.; Hernandes, A. C.; Dias, A.; Moreira, R. L.

2014-03-01

Infrared-reflectivity spectroscopy and micro-Raman scattering were used to determine the optical phonon features of orthorhombic calcium tantalite (CaTa2O6) single crystal fibres. The fibres, obtained by the Laser-Heated Pedestal Growth method, grew into an ordered cubic structure \\left( Pm\\bar{3} \\right). Long-time annealing was used to induce a polymorphic transformation to an aeschynite orthorhombic structure (Pnma space group). The phase transformation led to the appearance of structural domains and micro-cracks, responsible for diffuse scattering and depolarization of the scattered light in the visible range, but not in the infrared region. Thus, polarized infrared spectroscopy could be performed within oriented single domains, with an appropriate microscope, allowing us to determine all relevant polar phonons of the orthorhombic CaTa2O6. The obtained phononic dielectric response, {{\\epsilon }_{r}} = 22.4 and = 86 × 103 GHz, shows the appropriateness of the material for microwave applications. Totally symmetric Raman modes could be resolved by polarization, after re-polishing the cracked sample surface.

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.

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.

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.

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.

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.

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.

Electro-architected porous platinum on metallic multijunction nanolayers to optimize their optical properties for infrared sensor application

NASA Astrophysics Data System (ADS)

Stanca, Sarmiza Elena; Hänschke, Frank; Zieger, Gabriel; Dellith, Jan; Dellith, Andrea; Ihring, Andreas; Belkner, Johannes; Meyer, Hans-Georg

2018-03-01

Tailoring the physicochemical properties of the metallic multijunction nanolayers is a prerequisite for the development of microelectronics. From this perspective, a desired lower reflectance of infrared radiation was achieved by an electrochemical deposition of porous platinum in nonaqueous media on silver mirror supported nickel-chrome and nickel-titanium metallic films with incremental decreasing thicknesses from 80-10 nm. The electro-assembled architectures were examined by means of scanning electron microscopy and Fourier transform infrared spectroscopy and it was observed that the layer and sublayer thicknesses and resistivities have a substantial effect upon the porous platinum morphology and its optical properties. It is here reported that the augmentation of the metallic layer electrical conductivity determines the electroformation of more compact platinum nanolayers. Moreover, the platinum black coating of metallic nanolayers causes a considerable decrease of the reflectance in the region from 1000-8000 cm-1.

Characterization of Landsat-7 to Landsat-8 Reflective Wavelength and Normalized Difference Vegetation Index Continuity

NASA Technical Reports Server (NTRS)

Roy, D. P.; Kovalskyy, V.; Zhang, H. K.; Vermote, E. F.; Yan, L.; Kumar, S. S.; Egorov, A.

2016-01-01

At over 40 years, the Landsat satellites provide the longest temporal record of space-based land surface observations, and the successful 2013 launch of the Landsat-8 is continuing this legacy. Ideally, the Landsat data record should be consistent over the Landsat sensor series. The Landsat-8 Operational Land Imager (OLI) has improved calibration, signal to noise characteristics, higher 12-bit radiometric resolution, and spectrally narrower wavebands than the previous Landsat-7 Enhanced Thematic Mapper (ETM+). Reflective wavelength differences between the two Landsat sensors depend also on the surface reflectance and atmospheric state which are difficult to model comprehensively. The orbit and sensing geometries of the Landsat- 8 OLI and Landsat-7 ETM+ provide swath edge overlapping paths sensed only one day apart. The overlap regions are sensed in alternating backscatter and forward scattering orientations so Landsat bi-directional reflectance effects are evident but approximately balanced between the two sensors when large amounts of time series data are considered. Taking advantage of this configuration a total of 59 million 30m corresponding sensor observations extracted from 6,317 Landsat-7 ETM+ and Landsat-8 OLI images acquired over three winter and three summer months for all the conterminous United States (CONUS) are compared. Results considering different stages of cloud and saturation filtering, and filtering to reduce one day surface state differences, demonstrate the importance of appropriate per-pixel data screening. Top of atmosphere (TOA) and atmospherically corrected surface reflectance for the spectrally corresponding visible, near infrared and shortwave infrared bands, and derived normalized difference vegetation index (NDVI), are compared and their differences quantified. On average the OLI TOA reflectance is greater than the ETM+ TOA reflectance for all bands, with greatest differences in the near-infrared (NIR) and the shortwave infrared bands due to the quite different spectral response functions between the sensors. The atmospheric correction reduces the mean difference in the NIR and shortwave infrared but increases the mean difference in the visible bands. Regardless of whether TOA or surface reflectance are used to generate NDVI, on average, for vegetated soil and vegetation surfaces (0 = NDVI = 1), the OLI NDVI is greater than the ETM+ NDVI. Statistical functions to transform between the comparable sensor bands and sensor NDVI values are presented so that the user community may apply them in their own research to improve temporal continuity between the Landsat-7 ETM+ and Landsat-8 OLI sensor data. The transformation functions were developed using ordinary least squares (OLS) regression and were fit quite reliably (r2 values is greater than 0.7 for the reflectance data and greater than 0.9 for the NDVI data, p-values less than 0.0001).

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...

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.

Fabrication of frequency selective surface for band stop IR-filter

NASA Astrophysics Data System (ADS)

Mishra, Akshita; Sudheer, Tiwari, P.; Mondal, P.; Bhatt, H.; Rai, V. N.; Srivastava, A. K.

2016-05-01

Fabrication and characterization of frequency selective surfaces (FSS) on silicon dioxide/ silicon is reported. Electron beam lithography based techniques are used for the fabrication of periodic slot structure in tungsten layer on silicon dioxide/silicon. The fabrication process consists of growth of SiO2 on silicon, tungsten deposition, electron beam lithography, and wet etching of tungsten. The optical characterization of the structural pattern was carried out using fourier transform infrared spectroscopy (FTIR). The reflectance spectra clearly show a resonance peak at 9.09 µm in the mid infrared region. This indicates that the patterned surface acts as band stop filter in the mid-infrared region.

[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).

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.

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.

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.

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.

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.

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 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.

A whole image approach using field measurements for transforming EO1 Hyperion hyperspectral data into canopy reflectance spectra

USGS Publications Warehouse

Ramsey, Elijah W.; Nelson, G.

2005-01-01

To maximize the spectral distinctiveness (information) of the canopy reflectance, an atmospheric correction strategy was implemented to provide accurate estimates of the intrinsic reflectance from the Earth Observing 1 (EO1) satellite Hyperion sensor signal. In rendering the canopy reflectance, an estimate of optical depth derived from a measurement of downwelling irradiance was used to drive a radiative transfer simulation of atmospheric scattering and attenuation. During the atmospheric model simulation, the input whole-terrain background reflectance estimate was changed to minimize the differences between the model predicted and the observed canopy reflectance spectra at 34 sites. Lacking appropriate spectrally invariant scene targets, inclusion of the field and predicted comparison maximized the model accuracy and, thereby, the detail and precision in the canopy reflectance necessary to detect low percentage occurrences of invasive plants. After accounting for artifacts surrounding prominent absorption features from about 400nm to 1000nm, the atmospheric adjustment strategy correctly explained 99% of the observed canopy reflectance spectra variance. Separately, model simulation explained an average of 88%??9% of the observed variance in the visible and 98% ?? 1% in the near-infrared wavelengths. In the 34 model simulations, maximum differences between the observed and predicted reflectances were typically less than ?? 1% in the visible; however, maximum reflectance differences higher than ?? 1.6% (

Analysis of fingerprints features of infrared spectra of various processed products of Radix Aconiti kusnezoffii

NASA Astrophysics Data System (ADS)

Tu-ya; Yang, Ping; Sun, Su-qin; Zhou, Qun; Bao, Xiao-hua; Noda, Isao

2010-06-01

Fourier-transform infrared spectroscopy (FTIR) and two-dimensional correlation infrared spectroscopy (2D-IR)) are employed to analyze various processed products and ether extracts of Radix Aconiti kusnezoffii. There is a resemblance among the spectra of different processed products. The major difference lies in the absorption peak at 1641 cm -1 in the IR spectra, which reflects the transformation of raw aconite to the processed products. There are distinctive differences in the absorption peaks in the range of 1800-1500 cm -1 in the second derivative spectra, which has better resolution, of different processed products. 2D-IR spectra, which elevate the resolution further, can present even more differences among the products in the range of 1800-800 cm -1. Analysis of ether extracts of various processed products proves that there are alcohols, esters, carboxylic acids or ketones in all of them. However, their contents in different samples have obvious differences. With the advantages of high resolution, high-speed and convenience, IR can quickly and precisely distinguish various processed products of Radix A. kusnezoffii, and can be applied to predict the tendency of transformation of the complicated chemical mixture systems under heat perturbation.

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.

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.

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

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.

Vibrational spectroscopy and DFT calculations of flavonoid derriobtusone A

NASA Astrophysics Data System (ADS)

Marques, A. N. L.; Mendes Filho, J.; Freire, P. T. C.; Santos, H. S.; Albuquerque, M. R. J. R.; Bandeira, P. N.; Leite, R. V.; Braz-Filho, R.; Gusmão, G. O. M.; Nogueira, C. E. S.; Teixeira, A. M. R.

2017-02-01

Flavonoids are secondary metabolites of plants which perform various functions. One subclass of flavonoid is auronol that can present immunostimulating activity. In this work Fourier-Transform Infrared with Attenuated Total Reflectance (FTIR-ATR) and Fourier-Transform Raman (FT-Raman) spectra of an auronol, derriobtusone A (C18H12O4), were obtained at room temperature. Theoretical calculations using Density Functional Theory (DFT) were performed in order to assign the normal modes and to interpret the spectra of the derriobtusone A molecule. The FTIR-ATR and FT-Raman spectra of the crystal, were recorded at room temperature in the regions 600 cm-1 to 4000 cm-1 and 40 cm-1 to 4000 cm-1, respectively. The normal modes of vibrations were obtained using Density Functional Theory with B3LYP functional and 6-31G+ (d,p) basis set. The calculated frequencies are in good agreement with those obtained experimentally. Detailed assignments of the normal modes present in both the Fourier-Transform infrared and the Fourier-Transform Raman spectra of the crystal are given.

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.

Variable Temperature Infrared Spectroscopy Investigations of Benzoic Acid Desorption from Sodium and Calcium Montmorillonite Clays.

PubMed

Nickels, Tara M; Ingram, Audrey L; Maraoulaite, Dalia K; White, Robert L

2015-12-01

Processes involved in thermal desorption of benzoic acid from sodium and calcium montmorillonite clays are investigated by using variable temperature diffuse reflection Fourier transform infrared spectroscopy (DRIFTS). By monitoring the temperature dependence of infrared absorbance bands while heating samples, subtle changes in molecular vibrations are detected and employed to characterize specific benzoic acid adsorption sites. Abrupt changes in benzoic acid adsorption site properties occur for both clay samples at about 125 °C. Difference spectra absorbance band frequency variations indicate that adsorbed benzoic acid interacts with interlayer cations through water bridges and that these interactions can be disrupted by the presence of organic anions, in particular, benzoate.

Variable Temperature Infrared Spectroscopy Investigation of Benzoic Acid Interactions with Montmorillonite Clay Interlayer Water.

PubMed

Nickels, Tara M; Ingram, Audrey L; Maraoulaite, Dalia K; White, Robert L

2015-07-01

Molecular interactions between benzoic acid and cations and water contained in montmorillonite clay interlayer spaces are characterized by using variable temperature diffuse reflection infrared Fourier transform spectroscopy (VT-DRIFTS). Using sample perturbation and difference spectroscopy, infrared spectral changes resulting from removal of interlayer water and associated changes in local benzoic acid environments are identified. Difference spectra features can be correlated with changes in specific molecular vibrations that are characteristic of benzoic acid molecular orientation. Results suggest that the carboxylic acid functionality of benzoic acid interacts with interlayer cations through a bridging water molecule and that this interaction is affected by the nature of the cation present in the clay interlayer space.

Comparison of infrared and Raman wave numbers of neat molecular liquids: Which is the correct infrared wave number to use?

NASA Astrophysics Data System (ADS)

Bertie, John E.; Michaelian, Kirk H.

1998-10-01

This paper is concerned with the peak wave number of very strong absorption bands in infrared spectra of molecular liquids. It is well known that the peak wave number can differ depending on how the spectrum is measured. It can be different, for example, in a transmission spectrum and in an attenuated total reflection spectrum. This difference can be removed by transforming both spectra to the real, n, and imaginary, k, refractive index spectra, because both spectra yield the same k spectrum. However, the n and k spectra can be transformed to spectra of any other intensity quantity, and the peak wave numbers of strong bands may differ by up to 6 cm-1 in the spectra of the different quantities. The question which then arises is "which infrared peak wave number is the correct one to use in the comparison of infrared wave numbers of molecular liquids with wave numbers in other spectra?" For example, infrared wave numbers in the gas and liquid phase are compared to observe differences between the two phases. Of equal importance, the wave numbers of peaks in infrared and Raman spectra of liquids are compared to determine whether the infrared-active and Raman-active vibrations coincide, and thus are likely to be the same, or are distinct. This question is explored in this paper by presenting the experimental facts for different intensity quantities. The intensity quantities described are macroscopic properties of the liquid, specifically the absorbance, attenuated total reflectance, imaginary refractive index, k, imaginary dielectric constant, ɛ″, and molar absorption coefficient, Em, and one microscopic property of a molecule in the liquid, specifically the imaginary molar polarizability, αm″, which is calculated under the approximation of the Lorentz local field. The main experimental observations are presented for the strongest band in the infrared spectrum of each of the liquids methanol, chlorobenzene, dichloromethane, and acetone. Particular care was paid to wave number calibration of both infrared and Raman spectra. Theoretical arguments indicate that the peak wave number in the αm″ spectrum is the correct one to use, because it is the only one that reflects the properties of molecules in their local environment in the liquid free from predictable long-range resonant dielectric effects. However, it is found that the comparison with Raman wave numbers is confused when the anisotropic local intermolecular forces and configuration in the liquid are significant. In these cases, the well known noncoincidence of the isotropic and anisotropic Raman scattering is observed, and the same factors lead to noncoincidence of the infrared and Raman bands.

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

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.

Compositional features of cotton plant biomass fractions characterized by attenuated total reflection Fourier transform infrared spectroscopy

USDA-ARS?s Scientific Manuscript database

Cotton is one of the most important and widely grown crops in the world. In addition to natural textile fiber production as a primary purpose, it yields a high grade vegetable oil for human consumption and also carbohydrate fiber and protein byproducts for animal feed. In this work, attenuated total...

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.

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

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

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.

Airborne measurements in the infrared using FTIR-based imaging hyperspectral sensors

NASA Astrophysics Data System (ADS)

Puckrin, E.; Turcotte, C. S.; Lahaie, P.; Dubé, D.; Lagueux, P.; Farley, V.; Marcotte, F.; Chamberland, M.

2009-09-01

Hyperspectral ground mapping is being used in an ever-increasing extent for numerous applications in the military, geology and environmental fields. The different regions of the electromagnetic spectrum help produce information of differing nature. The visible, near-infrared and short-wave infrared radiation (400 nm to 2.5 μm) has been mostly used to analyze reflected solar light, while the mid-wave (3 to 5 μm) and long-wave (8 to 12 μm or thermal) infrared senses the self-emission of molecules directly, enabling the acquisition of data during night time. Push-broom dispersive sensors have been typically used for airborne hyperspectral mapping. However, extending the spectral range towards the mid-wave and long-wave infrared brings performance limitations due to the self emission of the sensor itself. The Fourier-transform spectrometer technology has been extensively used in the infrared spectral range due to its high transmittance as well as throughput and multiplex advantages, thereby reducing the sensor self-emission problem. Telops has developed the Hyper-Cam, a rugged and compact infrared hyperspectral imager. The Hyper-Cam is based on the Fourier-transform technology yielding high spectral resolution and enabling high accuracy radiometric calibration. It provides passive signature measurement capability, with up to 320x256 pixels at spectral resolutions of up to 0.25 cm-1. The Hyper-Cam has been used on the ground in several field campaigns, including the demonstration of standoff chemical agent detection. More recently, the Hyper-Cam has been integrated into an airplane to provide airborne measurement capabilities. A special pointing module was designed to compensate for airplane attitude and forward motion. To our knowledge, the Hyper-Cam is the first commercial airborne hyperspectral imaging sensor based on Fourier-transform infrared technology. The first airborne measurements and some preliminary performance criteria for the Hyper-Cam are presented in this paper.

Airborne measurements in the infrared using FTIR-based imaging hyperspectral sensors

NASA Astrophysics Data System (ADS)

Puckrin, E.; Turcotte, C. S.; Lahaie, P.; Dubé, D.; Farley, V.; Lagueux, P.; Marcotte, F.; Chamberland, M.

2009-05-01

Hyperspectral ground mapping is being used in an ever-increasing extent for numerous applications in the military, geology and environmental fields. The different regions of the electromagnetic spectrum help produce information of differing nature. The visible, near-infrared and short-wave infrared radiation (400 nm to 2.5 μm) has been mostly used to analyze reflected solar light, while the mid-wave (3 to 5 μm) and long-wave (8 to 12 μm or thermal) infrared senses the self-emission of molecules directly, enabling the acquisition of data during night time. Push-broom dispersive sensors have been typically used for airborne hyperspectral mapping. However, extending the spectral range towards the mid-wave and long-wave infrared brings performance limitations due to the self emission of the sensor itself. The Fourier-transform spectrometer technology has been extensively used in the infrared spectral range due to its high transmittance as well as throughput and multiplex advantages, thereby reducing the sensor self-emission problem. Telops has developed the Hyper-Cam, a rugged and compact infrared hyperspectral imager. The Hyper-Cam is based on the Fourier-transform technology yielding high spectral resolution and enabling high accuracy radiometric calibration. It provides passive signature measurement capability, with up to 320x256 pixels at spectral resolutions of up to 0.25 cm-1. The Hyper-Cam has been used on the ground in several field campaigns, including the demonstration of standoff chemical agent detection. More recently, the Hyper-Cam has been integrated into an airplane to provide airborne measurement capabilities. A special pointing module was designed to compensate for airplane attitude and forward motion. To our knowledge, the Hyper-Cam is the first commercial airborne hyperspectral imaging sensor based on Fourier-transform infrared technology. The first airborne measurements and some preliminary performance criteria for the Hyper-Cam are presented in this paper.

An improved thin film approximation to accurately determine the optical conductivity of graphene from infrared transmittance

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

Weber, J. W.; Bol, A. A.; Sanden, M. C. M. van de

2014-07-07

This work presents an improved thin film approximation to extract the optical conductivity from infrared transmittance in a simple yet accurate way. This approximation takes into account the incoherent reflections from the backside of the substrate. These reflections are shown to have a significant effect on the extracted optical conductivity and hence on derived parameters as carrier mobility and density. By excluding the backside reflections, the error for these parameters for typical chemical vapor deposited (CVD) graphene on a silicon substrate can be as high as 17% and 45% for the carrier mobility and density, respectively. For the mid- andmore » near-infrared, the approximation can be simplified such that the real part of the optical conductivity is extracted without the need for a parameterization of the optical conductivity. This direct extraction is shown for Fourier transform infrared (FTIR) transmittance measurements of CVD graphene on silicon in the photon energy range of 370–7000 cm{sup −1}. From the real part of the optical conductivity, the carrier density, mobility, and number of graphene layers are determined but also residue, originating from the graphene transfer, is detected. FTIR transmittance analyzed with the improved thin film approximation is shown to be a non-invasive, easy, and accurate measurement and analysis method for assessing the quality of graphene and can be used for other 2-D materials.« less

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 comparison of two laboratories for the measurement of wood dust using button sampler and diffuse reflection infrared Fourier-transform spectroscopy (DRIFTS).

PubMed

Chirila, Madalina M; Sarkisian, Khachatur; Andrew, Michael E; Kwon, Cheol-Woong; Rando, Roy J; Harper, Martin

2015-04-01

The current measurement method for occupational exposure to wood dust is by gravimetric analysis and is thus non-specific. In this work, diffuse reflection infrared Fourier transform spectroscopy (DRIFTS) for the analysis of only the wood component of dust was further evaluated by analysis of the same samples between two laboratories. Field samples were collected from six wood product factories using 25-mm glass fiber filters with the Button aerosol sampler. Gravimetric mass was determined in one laboratory by weighing the filters before and after aerosol collection. Diffuse reflection mid-infrared spectra were obtained from the wood dust on the filter which is placed on a motorized stage inside the spectrometer. The metric used for the DRIFTS analysis was the intensity of the carbonyl band in cellulose and hemicellulose at ~1735 cm(-1). Calibration curves were constructed separately in both laboratories using the same sets of prepared filters from the inhalable sampling fraction of red oak, southern yellow pine, and western red cedar in the range of 0.125-4 mg of wood dust. Using the same procedure in both laboratories to build the calibration curve and analyze the field samples, 62.3% of the samples measured within 25% of the average result with a mean difference between the laboratories of 18.5%. Some observations are included as to how the calibration and analysis can be improved. In particular, determining the wood type on each sample to allow matching to the most appropriate calibration increases the apparent proportion of wood dust in the sample and this likely provides more realistic DRIFTS results. Published by Oxford University Press on behalf of the British Occupational Hygiene Society 2014.

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…

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 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

Phase transitions of amorphous solid acetone in confined geometry investigated by reflection absorption infrared spectroscopy.

PubMed

Shin, Sunghwan; Kang, Hani; Kim, Jun Soo; Kang, Heon

2014-11-26

We investigated the phase transformations of amorphous solid acetone under confined geometry by preparing acetone films trapped in amorphous solid water (ASW) or CCl4. Reflection absorption infrared spectroscopy (RAIRS) and temperature-programmed desorption (TPD) were used to monitor the phase changes of the acetone sample with increasing temperature. An acetone film trapped in ASW shows an abrupt change in the RAIRS features of the acetone vibrational bands during heating from 80 to 100 K, which indicates the transformation of amorphous solid acetone to a molecularly aligned crystalline phase. Further heating of the sample to 140 K produces an isotropic solid phase, and eventually a fluid phase near 157 K, at which the acetone sample is probably trapped in a pressurized, superheated condition inside the ASW matrix. Inside a CCl4 matrix, amorphous solid acetone crystallizes into a different, isotropic structure at ca. 90 K. We propose that the molecularly aligned crystalline phase formed in ASW is created by heterogeneous nucleation at the acetone-water interface, with resultant crystal growth, whereas the isotropic crystalline phase in CCl4 is formed by homogeneous crystal growth starting from the bulk region of the acetone sample.

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.

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.

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.

Competitive Self-Assembly Manifests Supramolecular Darwinism in Soft-Oxometalates

NASA Astrophysics Data System (ADS)

Das, Santu; Kumar, Saurabh; Mallick, Apabrita; Roy, Soumyajit

2015-09-01

Topological transformation manifested in inorganic materials shows manifold possibilities. In our present work, we show a clear topological transformation in a soft-oxometalate (SOM) system which was formed from its polyoxometalate (POM) precursor [PMo12@Mo72Fe30]. This topological transformation was observed due to time dependent competitive self-assembly of two different length scale soft-oxometalate moieties formed from this two-component host-guest reaction. We characterized different morphologies by scanning electron microscopy, electron dispersive scattering spectroscopy, dynamic light scattering, horizontal attenuated total reflection-infrared spectroscopy and Raman spectroscopy. The predominant structure is selected by its size in a sort of supramolecular Darwinian competition in this process and is described here.

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.

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.

Characterization of silver halide fiber optics and hollow silica waveguides for use in the construction of a mid-infrared attenuated total reflection fourier transform infrared (ATR FT-IR) spectroscopy probe.

PubMed

Damin, Craig A; Sommer, André J

2013-11-01

Advances in fiber optic materials have allowed for the construction of fibers and waveguides capable of transmitting infrared radiation. An investigation of the transmission characteristics associated with two commonly used types of infrared-transmitting fibers/waveguides for prospective use in a fiber/waveguide-coupled attenuated total internal reflection (ATR) probe was performed. Characterization of silver halide polycrystalline fiber optics and hollow silica waveguides was done on the basis of the transmission of infrared light using a conventional fiber optic coupling accessory and an infrared microscope. Using the fiber optic coupling accessory, the average percent transmission for three silver halide fibers was 18.1 ± 6.1% relative to a benchtop reflection accessory. The average transmission for two hollow waveguides (HWGs) using the coupling accessory was 8.0 ± 0.3%. (Uncertainties in the relative percent transmission represent the standard deviations.) Reduced transmission observed for the HWGs was attributed to the high numerical aperture of the coupling accessory. Characterization of the fibers/waveguides using a zinc selenide lens objective on an infrared microscope indicated 24.1 ± 7.2% of the initial light input into the silver halide fibers was transmitted. Percent transmission obtained for the HWGs was 98.7 ± 0.1%. Increased transmission using the HWGs resulted from the absence or minimization of insertion and scattering losses due to the hollow air core and a better-matched numerical aperture. The effect of bending on the transmission characteristics of the fibers/waveguides was also investigated. Significant deviations in the transmission of infrared light by the solid-core silver halide fibers were observed for various bending angles. Percent transmission greater than 98% was consistently observed for the HWGs at the bending angles. The combined benefits of high percent transmission, reproducible instrument responses, and increased bending tolerance indicated HWGs should be preferred in the construction of a fiber/waveguide-coupled ATR probe.

Time-Resolved Infrared Reflectance Studies of the Dehydration-Induced Transformation of Uranyl Nitrate Hexahydrate to the Trihydrate Form

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

Johnson, Timothy J.; Sweet, Lucas E.; Meier, David E.

Uranyl nitrate is a key species in the nuclear fuel cycle. However, this species is known to exist in different states of hydration, including the hexahydrate ([UO2(NO3)2(H2O)6] often called UNH), the trihydrate [UO2(NO3)2(H2O)3 or UNT], and in very dry environments the dihydrate form [UO2(NO3)2(H2O)2]. Their relative stabilities depend on both water vapor pressure and temperature. In the 1950s and 1960s the different phases were studied by infrared transmission spectroscopy, but were limited both by instrumental resolution and by the ability to prepare the samples for transmission. We have revisited this problem using time-resolved reflectance spectroscopy, which requires no sample preparationmore » and allows dynamic analysis while the sample is exposed to a flow of N2 gas. Samples of known hydration state were prepared and confirmed via X-ray diffraction patterns of known species. In reflectance mode the hexahydrate UO2(NO3)2(H2O)6 has a distinct uranyl asymmetric stretch band at 949.0 cm-1 that shifts to shorter wavelengths and broadens as the sample desiccates and recrystallizes to the trihydrate, first as a shoulder growing in on the blue edge but ultimately results in a doublet band with reflectance peaks at 966 and 957 cm-1. The data are consistent with transformation from UNH to UNT as UNT has two inequivalent UO22+ sites. The dehydration of UO2(NO3)2(H2O)6 to UO2(NO3)2(H2O)3 is both a structural and morphological change that has the lustrous lime green UO2(NO3)2(H2O)6 crystals changing to the matte greenish yellow of the trihydrate solid. The phase transformation and crystal structures were confirmed by density functional theory calculations and optical microscopy methods, both of which showed a transformation with two distinct sites for the uranyl cation in the trihydrate, with but one in the hexahydrate.« less

Time-resolved infrared reflectance studies of the dehydration-induced transformation of uranyl nitrate hexahydrate to the trihydrate form

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

Johnson, Timothy J.; Sweet, Lucas E.; Meier, David E.

2015-09-08

Uranyl nitrate is a key species in the nuclear fuel cycle. However, this species is known to exist in different states of hydration, including the hexahydrate ([UO 2(NO 3) 2(H 2O) 6] often called UNH), the trihydrate [UO 2(NO 3) 2(H 2O) 3 or UNT], and in very dry environments the dihydrate form [UO 2(NO 3) 2(H 2O) 2]. Their relative stabilities depend on both water vapor pressure and temperature. In the 1950s and 1960s, the different phases were studied by infrared transmission spectroscopy but were limited both by instrumental resolution and by the ability to prepare the samples formore » transmission. We have revisited this problem using time-resolved reflectance spectroscopy, which requires no sample preparation and allows dynamic analysis while the sample is exposed to a flow of N 2 gas. Samples of known hydration state were prepared and confirmed via X-ray diffraction patterns of known species. In reflectance mode the hexahydrate UO 2(NO 3) 2(H 2O) 6 has a distinct uranyl asymmetric stretch band at 949.0 cm –1 that shifts to shorter wavelengths and broadens as the sample desiccates and recrystallizes to the trihydrate, first as a shoulder growing in on the blue edge but ultimately results in a doublet band with reflectance peaks at 966 and 957 cm –1. The data are consistent with transformation from UNH to UNT as UNT has two inequivalent UO 2 2+ sites. The dehydration of UO 2(NO 3) 2(H 2O) 6 to UO 2(NO 3) 2(H 2O) 3 is both a structural and morphological change that has the lustrous lime green UO 2(NO 3) 2(H 2O) 6 crystals changing to the matte greenish yellow of the trihydrate solid. As a result, the phase transformation and crystal structures were confirmed by density functional theory calculations and optical microscopy methods, both of which showed a transformation with two distinct sites for the uranyl cation in the trihydrate, with only one in the hexahydrate.« less

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.

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.

Direct and simultaneous quantification of tannin mean degree of polymerization and percentage of galloylation in grape seeds using diffuse reflectance fourier transform-infrared spectroscopy.

PubMed

Pappas, Christos; Kyraleou, Maria; Voskidi, Eleni; Kotseridis, Yorgos; Taranilis, Petros A; Kallithraka, Stamatina

2015-02-01

The direct and simultaneous quantitative determination of the mean degree of polymerization (mDP) and the degree of galloylation (%G) in grape seeds were quantified using diffuse reflectance infrared Fourier transform spectroscopy and partial least squares (PLS). The results were compared with those obtained using the conventional analysis employing phloroglucinolysis as pretreatment followed by high performance liquid chromatography-UV and mass spectrometry detection. Infrared spectra were recorded in solid state samples after freeze drying. The 2nd derivative of the 1832 to 1416 and 918 to 739 cm(-1) spectral regions for the quantification of mDP, the 2nd derivative of the 1813 to 607 cm(-1) spectral region for the degree of %G determination and PLS regression were used. The determination coefficients (R(2) ) of mDP and %G were 0.99 and 0.98, respectively. The corresponding values of the root-mean-square error of calibration were found 0.506 and 0.692, the root-mean-square error of cross validation 0.811 and 0.921, and the root-mean-square error of prediction 0.612 and 0.801. The proposed method in comparison with the conventional method is simpler, less time consuming, more economical, and requires reduced quantities of chemical reagents and fewer sample pretreatment steps. It could be a starting point for the design of more specific models according to the requirements of the wineries. © 2015 Institute of Food Technologists®

Improved remote gaze estimation using corneal reflection-adaptive geometric transforms

NASA Astrophysics Data System (ADS)

Ma, Chunfei; Baek, Seung-Jin; Choi, Kang-A.; Ko, Sung-Jea

2014-05-01

Recently, the remote gaze estimation (RGE) technique has been widely applied to consumer devices as a more natural interface. In general, the conventional RGE method estimates a user's point of gaze using a geometric transform, which represents the relationship between several infrared (IR) light sources and their corresponding corneal reflections (CRs) in the eye image. Among various methods, the homography normalization (HN) method achieves state-of-the-art performance. However, the geometric transform of the HN method requiring four CRs is infeasible for the case when fewer than four CRs are available. To solve this problem, this paper proposes a new RGE method based on three alternative geometric transforms, which are adaptive to the number of CRs. Unlike the HN method, the proposed method not only can operate with two or three CRs, but can also provide superior accuracy. To further enhance the performance, an effective error correction method is also proposed. By combining the introduced transforms with the error-correction method, the proposed method not only provides high accuracy and robustness for gaze estimation, but also allows for a more flexible system setup with a different number of IR light sources. Experimental results demonstrate the effectiveness of the proposed method.

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.

Analysis of ecstasy tablets: comparison of reflectance and transmittance near infrared spectroscopy.

PubMed

Schneider, Ralph Carsten; Kovar, Karl-Artur

2003-07-08

Calibration models for the quantitation of commonly used ecstasy substances have been developed using near infrared spectroscopy (NIR) in diffuse reflectance and in transmission mode by applying seized ecstasy tablets for model building and validation. The samples contained amphetamine, N-methyl-3,4-methylenedioxy-amphetamine (MDMA) and N-ethyl-3,4-methylenedioxy-amphetamine (MDE) in different concentrations. All tablets were analyzed using high performance liquid chromatography (HPLC) with diode array detection as reference method. We evaluated the performance of each NIR measurement method with regard to its ability to predict the content of each tablet with a low root mean square error of prediction (RMSEP). Best calibration models could be generated by using NIR measurement in transmittance mode with wavelength selection and 1/x-transformation of the raw data. The models build in reflectance mode showed higher RMSEPs using as data pretreatment, wavelength selection, 1/x-transformation and a second order Savitzky-Golay derivative with five point smoothing was applied to obtain the best models. To estimate the influence of inhomogeneities in the illegal tablets, a calibration of the destroyed, i.e. triturated samples was build and compared to the corresponding data of the whole tablets. The calibrations using these homogenized tablets showed lower RMSEPs. We can conclude that NIR analysis of ecstasy tablets in transmission mode is more suitable than measurement in diffuse reflectance to obtain quantification models for their active ingredients with regard to low errors of prediction. Inhomogeneities in the samples are equalized when measuring the tablets as powdered samples.

Methods for quantitative infrared directional-hemispherical and diffuse reflectance measurements using an FTIR and a commercial integrating sphere

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

Blake, Thomas A.; Johnson, Timothy J.; Tonkyn, Russell G.

Infrared integrating sphere measurements of solid samples are important in providing reference data for contact, standoff and remote sensing applications. At the Pacific Northwest National Laboratory (PNNL) we have developed protocols to measure both the directional-hemispherical ( and diffuse (d) reflectances of powders, liquids, and disks of powders and solid materials using a commercially available, matte gold-coated integrating sphere and Fourier transform infrared spectrometer. Detailed descriptions of the sphere alignment and its use for making these reflectance measurements are given. Diffuse reflectance values were found to be dependent on the bidirectional reflection distribution function (BRDF) of the sample and themore » solid angle intercepted by the sphere’s specular exclusion port. To determine how well the sphere and protocols produce quantitative reflectance data, measurements were made of three diffuse and two specular standards prepared by the National institute of Standards and Technology (NIST, USA), LabSphere Infragold and Spectralon standards, hand-loaded sulfur and talc powder samples, and water. The five NIST standards behaved as expected: the three diffuse standards had a high degree of “diffuseness,” d/ = D > 0.9, whereas the two specular standards had D ≤ 0.03. The average absolute differences between the NIST and PNNL measurements of the NIST standards for both directional-hemispherical and diffuse reflectances are on the order of 0.01 reflectance units. Other quantitative differences between the PNNL-measured and calibration (where available) or literature reflectance values for these standards and materials are given and the possible origins of discrepancies are discussed. Random uncertainties and estimates of systematic uncertainties are presented. Corrections necessary to provide better agreement between the PNNL reflectance values as measured for the NIST standards and the NIST reflectance values for these same standards are also discussed.« less

Monitoring breast cancer treatment using a Fourier transform infrared spectroscopy-based computational model.

PubMed

Depciuch, J; Kaznowska, E; Golowski, S; Koziorowska, A; Zawlik, I; Cholewa, M; Szmuc, K; Cebulski, J

2017-09-05

Breast cancer affects one in four women, therefore, the search for new diagnostic technologies and therapeutic approaches is of critical importance. This involves the development of diagnostic tools to facilitate the detection of cancer cells, which is useful for assessing the efficacy of cancer therapies. One of the major challenges for chemotherapy is the lack of tools to monitor efficacy during the course of treatment. Vibrational spectroscopy appears to be a promising tool for such a purpose, as it yields Fourier transformation infrared (FTIR) spectra which can be used to provide information on the chemical composition of the tissue. Previous research by our group has demonstrated significant differences between the infrared spectra of healthy, cancerous and post-chemotherapy breast tissue. Furthermore, the results obtained for three extreme patient cases revealed that the infrared spectra of post-chemotherapy breast tissue closely resembles that of healthy breast tissue when chemotherapy is effective (i.e., a good therapeutic response is achieved), or that of cancerous breast tissue when chemotherapy is ineffective. In the current study, we compared the infrared spectra of healthy, cancerous and post-chemotherapy breast tissue. Characteristic parameters were designated for the obtained spectra, spreading the function of absorbance using the Kramers-Kronig transformation and the best fit procedure to obtain Lorentz functions, which represent components of the bands. The Lorentz function parameters were used to develop a physics-based computational model to verify the efficacy of a given chemotherapy protocol in a given case. The results obtained using this model reflected the actual patient data retrieved from medical records (health improvement or no improvement). Therefore, we propose this model as a useful tool for monitoring the efficacy of chemotherapy in patients with breast cancer. Copyright © 2017 Elsevier B.V. All rights reserved.

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.

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…

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...

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.

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.

Polarimetric infrared imaging simulation of a synthetic sea surface with Mie scattering.

PubMed

He, Si; Wang, Xia; Xia, Runqiu; Jin, Weiqi; Liang, Jian'an

2018-03-01

A novel method to simulate the polarimetric infrared imaging of a synthetic sea surface with atmospheric Mie scattering effects is presented. The infrared emission, multiple reflections, and infrared polarization of the sea surface and the Mie scattering of aerosols are all included for the first time. At first, a new approach to retrieving the radiative characteristics of a wind-roughened sea surface is introduced. A two-scale method of sea surface realization and the inverse ray tracing of light transfer calculation are combined and executed simultaneously, decreasing the consumption of time and memory dramatically. Then the scattering process that the infrared light emits from the sea surface and propagates in the aerosol particles is simulated with a polarized light Monte Carlo model. Transformations of the polarization state of the light are calculated with the Mie theory. Finally, the polarimetric infrared images of the sea surface of different environmental conditions and detection parameters are generated based on the scattered light detected by the infrared imaging polarimeter. The results of simulation examples show that our polarimetric infrared imaging simulation can be applied to predict the infrared polarization characteristics of the sea surface, model the oceanic scene, and guide the detection in the oceanic environment.

Complex refractive index measurements for BaF 2 and CaF 2 via single-angle infrared reflectance spectroscopy

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

Kelly-Gorham, Molly Rose K.; DeVetter, Brent M.; Brauer, Carolyn S.

We have re-investigated the optical constants n and k for the homologous series of inorganic salts barium fluoride (BaF2) and calcium fluoride (CaF2) using a single-angle near-normal incidence reflectance device in combination with a calibrated Fourier transform infrared (FTIR) spectrometer. Our results are in good qualitative agreement with most previous works. However, certain features of the previously published data near the reststrahlen band exhibit distinct differences in spectral characteristics. Notably, our measurements of BaF2 do not include a spectral feature in the ~250 cm-1 reststrahlen band that was previously published. Additionally, CaF2 exhibits a distinct wavelength shift relative to themore » model derived from previously published data. We confirmed our results with recently published works that use significantly more modern instrumentation and data reduction techniques« less

[Mahalanobis distance based hyperspectral characteristic discrimination of leaves of different desert tree species].

PubMed

Lin, Hai-jun; Zhang, Hui-fang; Gao, Ya-qi; Li, Xia; Yang, Fan; Zhou, Yan-fei

2014-12-01

The hyperspectral reflectance of Populus euphratica, Tamarix hispida, Haloxylon ammodendron and Calligonum mongolicum in the lower reaches of Tarim River and Turpan Desert Botanical Garden was measured by using the HR-768 field-portable spectroradiometer. The method of continuum removal, first derivative reflectance and second derivative reflectance were used to deal with the original spectral data of four tree species. The method of Mahalanobis Distance was used to select the bands with significant differences in the original spectral data and transform spectral data to identify the different tree species. The progressive discrimination analyses were used to test the selective bands used to identify different tree species. The results showed that The Mahalanobis Distance method was an effective method in feature band extraction. The bands for identifying different tree species were most near-infrared bands. The recognition accuracy of four methods was 85%, 93.8%, 92.4% and 95.5% respectively. Spectrum transform could improve the recognition accuracy. The recognition accuracy of different research objects and different spectrum transform methods were different. The research provided evidence for desert tree species classification, monitoring biodiversity and the analysis of area in desert by using large scale remote sensing method.

Fourier transform infrared reflectance spectra of latent fingerprints: a biometric gauge for the age of an individual.

PubMed

Hemmila, April; McGill, Jim; Ritter, David

2008-03-01

To determine if changes in fingerprint infrared spectra linear with age can be found, partial least squares (PLS1) regression of 155 fingerprint infrared spectra against the person's age was constructed. The regression produced a linear model of age as a function of spectrum with a root mean square error of calibration of less than 4 years, showing an inflection at about 25 years of age. The spectral ranges emphasized by the regression do not correspond to the highest concentration constituents of the fingerprints. Separate linear regression models for old and young people can be constructed with even more statistical rigor. The success of the regression demonstrates that a combination of constituents can be found that changes linearly with age, with a significant shift around puberty.

Soybean canopy reflectance as influenced by cultural practices. [West Lafayette, Indiana

NASA Technical Reports Server (NTRS)

Bauer, M. E. (Principal Investigator); Kollenkark, J. C.; Daughtry, C. S. T.

1981-01-01

Experiments were conducted at West Lafayette, Indiana in 1978 and 1979 to study the reflectance factor of soybean canopies as affected by differences in row width, population, planting date, cultivar and soil type. Reflectance factor data were acquired throughout the growing season with a LANDSAT-band radiometer. Agronomic data included plant height, leaf area index, development stage, total fresh and dry biomass, percent soil cover, and grain yield. The results indicate that row width, planting date, and cultivar influence the percent soil cover, leaf area index, and biomass present, which are in turn related to the multispectral reflectance. Additionally, the reflectance data were quite sensitive to the onset of senescence. Soil color and moisture were found to be important factors influencing the reflectance in single LANDSAT bands, but the near infrared/red reflectance ratio and the greeness transformation were less sensitive than the single bands to the soil background present.

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.

Nonreciprocal reflection-beam isolators for far-infrared use

NASA Technical Reports Server (NTRS)

Kanda, M.; May, W. G.

1973-01-01

Magnetoplasma reflection-beam isolators for submillimeter-wave use are discussed in theory and experiment. The basic device uses the Kerr transverse magnetooptic effect (plane of polarization of the EM wave in the plane of incidence, which is perpendicular to a dc magnetic field) in InSb near room temperature. When the semiconductor slab is covered with a thin dielectric layer acting as a matching transformer, improved performance is predicted and observed at 337 microns, and very efficient isolator performance is predicted for 118 microns. Physical arguments are presented to explain the nonreciprocal phenomenon and lead to better device design.

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.

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.

Leaf Chlorophyll Content Estimation of Winter Wheat Based on Visible and Near-Infrared Sensors.

PubMed

Zhang, Jianfeng; Han, Wenting; Huang, Lvwen; Zhang, Zhiyong; Ma, Yimian; Hu, Yamin

2016-03-25

The leaf chlorophyll content is one of the most important factors for the growth of winter wheat. Visual and near-infrared sensors are a quick and non-destructive testing technology for the estimation of crop leaf chlorophyll content. In this paper, a new approach is developed for leaf chlorophyll content estimation of winter wheat based on visible and near-infrared sensors. First, the sliding window smoothing (SWS) was integrated with the multiplicative scatter correction (MSC) or the standard normal variable transformation (SNV) to preprocess the reflectance spectra images of wheat leaves. Then, a model for the relationship between the leaf relative chlorophyll content and the reflectance spectra was developed using the partial least squares (PLS) and the back propagation neural network. A total of 300 samples from areas surrounding Yangling, China, were used for the experimental studies. The samples of visible and near-infrared spectroscopy at the wavelength of 450,900 nm were preprocessed using SWS, MSC and SNV. The experimental results indicate that the preprocessing using SWS and SNV and then modeling using PLS can achieve the most accurate estimation, with the correlation coefficient at 0.8492 and the root mean square error at 1.7216. Thus, the proposed approach can be widely used for winter wheat chlorophyll content analysis.

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.

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...

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.

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

Fourier transform infrared spectroscopy imaging of live epithelial cancer cells under non-aqueous media.

PubMed

Soh, JunYi; Chueng, Adeline; Adio, Aminat; Cooper, Alan J; Birch, Brian R; Lwaleed, Bashir A

2013-04-01

Fourier transform infrared (FT-IR) imaging is increasingly being applied to biomedical specimens, but strong IR absorption by water complicates live cell imaging. This study investigates the viability of adherent epithelial cells maintained for short periods under mineral oils in order to facilitate live cell spectroscopy using FT-IR with subsequent imaging. The MGH-U1 urothelial or CaCo2 colorectal cancer cell lines were grown on plastic surfaces or mid-range infrared transparent windows. Medium in established cultures was replaced with paraffin mineral oil, or Fluorolube, for up to 2 h, and viability assessed by supravital staining. Drug handling characteristics were also assessed. Imaging of preparations was attempted by reflectance and transmission using a Varian FT-IR microscope. Cells covered by mineral oil remained viable for 2 h, with recovery into normal medium possible. MTT ((3-(4,5-dimethylthlazol-2-yl)-2,5-diphenyl tetrazolium) conversion to crystalline formazan and differential patterns of drug uptake were maintained. The combination of a calcium fluoride substrate, Fluorolube oil, and transmission optics proved best for spectroscopy. Spectral features were used to obtain images of live cells. The viability of cells overlaid with IR transparent oils was assessed as part of a technique to optimise conditions for FT-IR imaging. Images of untreated cells were obtained using both reflectance and transmission. This represents an effective means of imaging live cells by IR spectroscopy, and also means that imaging is not necessarily a terminal event. It also increases options for producing images based on real-time biochemistry in a range of in vitro experimental and 'optical biopsy' contexts.

Optical Properties of Iron Silicates in the Infrared to Millimeter as a Function of Wavelength and Temperature

NASA Technical Reports Server (NTRS)

Richey, C. R.; Kinzer, R. E.; Cataldo, G.; Wollack, E. J.; Nuth, J. A.; Benford, D. J.; Silverberg, R. F.; Rinhart, S. A.

2013-01-01

The Optical Properties of Astronomical Silicates with Infrared Techniques program utilizes multiple instruments to provide spectral data over a wide range of temperatures and wavelengths. Experimental methods include Vector Network Analyzer and Fourier transform spectroscopy transmission, and reflection/scattering measurements. From this data, we can determine the optical parameters for the index of refraction, n, and the absorption coefficient, k. The analysis of the laboratory transmittance data for each sample type is based upon different mathematical models, which are applied to each data set according to their degree of coherence. Presented here are results from iron silicate dust grain analogs, in several sample preparations and at temperatures ranging from 5 to 300 K, across the infrared and millimeter portion of the spectrum (from 2.5 to 10,000/micron or 4000 to 1/cm).

Rapid Detection of Volatile Oil in Mentha haplocalyx by Near-Infrared Spectroscopy and Chemometrics.

PubMed

Yan, Hui; Guo, Cheng; Shao, Yang; Ouyang, Zhen

2017-01-01

Near-infrared spectroscopy combined with partial least squares regression (PLSR) and support vector machine (SVM) was applied for the rapid determination of chemical component of volatile oil content in Mentha haplocalyx . The effects of data pre-processing methods on the accuracy of the PLSR calibration models were investigated. The performance of the final model was evaluated according to the correlation coefficient ( R ) and root mean square error of prediction (RMSEP). For PLSR model, the best preprocessing method combination was first-order derivative, standard normal variate transformation (SNV), and mean centering, which had of 0.8805, of 0.8719, RMSEC of 0.091, and RMSEP of 0.097, respectively. The wave number variables linking to volatile oil are from 5500 to 4000 cm-1 by analyzing the loading weights and variable importance in projection (VIP) scores. For SVM model, six LVs (less than seven LVs in PLSR model) were adopted in model, and the result was better than PLSR model. The and were 0.9232 and 0.9202, respectively, with RMSEC and RMSEP of 0.084 and 0.082, respectively, which indicated that the predicted values were accurate and reliable. This work demonstrated that near infrared reflectance spectroscopy with chemometrics could be used to rapidly detect the main content volatile oil in M. haplocalyx . The quality of medicine directly links to clinical efficacy, thus, it is important to control the quality of Mentha haplocalyx . Near-infrared spectroscopy combined with partial least squares regression (PLSR) and support vector machine (SVM) was applied for the rapid determination of chemical component of volatile oil content in Mentha haplocalyx . For SVM model, 6 LVs (less than 7 LVs in PLSR model) were adopted in model, and the result was better than PLSR model. It demonstrated that near infrared reflectance spectroscopy with chemometrics could be used to rapidly detect the main content volatile oil in Mentha haplocalyx . Abbreviations used: 1 st der: First-order derivative; 2 nd der: Second-order derivative; LOO: Leave-one-out; LVs: Latent variables; MC: Mean centering, NIR: Near-infrared; NIRS: Near infrared spectroscopy; PCR: Principal component regression, PLSR: Partial least squares regression; RBF: Radial basis function; RMSEC: Root mean square error of cross validation, RMSEC: Root mean square error of calibration; RMSEP: Root mean square error of prediction; SNV: Standard normal variate transformation; SVM: Support vector machine; VIP: Variable Importance in projection.

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

Fabrication of frequency selective surface for band stop IR-filter

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

Mishra, Akshita, E-mail: akshitamishra27@gmail.com; Sudheer,; Tiwari, P.

2016-05-23

Fabrication and characterization of frequency selective surfaces (FSS) on silicon dioxide/ silicon is reported. Electron beam lithography based techniques are used for the fabrication of periodic slot structure in tungsten layer on silicon dioxide/silicon. The fabrication process consists of growth of SiO{sub 2} on silicon, tungsten deposition, electron beam lithography, and wet etching of tungsten. The optical characterization of the structural pattern was carried out using fourier transform infrared spectroscopy (FTIR). The reflectance spectra clearly show a resonance peak at 9.09 µm in the mid infrared region. This indicates that the patterned surface acts as band stop filter in the mid-infraredmore » region.« less

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.

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.

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

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.

Resonant infrared detector with substantially unit quantum efficiency

NASA Technical Reports Server (NTRS)

Farhoomand, Jam (Inventor); Mcmurray, Robert E., Jr. (Inventor)

1994-01-01

A resonant infrared detector includes an infrared-active layer which has first and second parallel faces and which absorbs radiation of a given wavelength. The detector also includes a first tuned reflective layer, disposed opposite the first face of the infrared-active layer, which reflects a specific portion of the radiation incident thereon and allows a specific portion of the incident radiation at the given wavelength to reach the infrared-active layer. A second reflective layer, disposed opposite the second face of the infrared-active layer, reflects back into the infrared-active layer substantially all of the radiation at the given wavelength which passes through the infrared-active layer. The reflective layers have the effect of increasing the quantum efficiency of the infrared detector relative to the quantum efficiency of the infrared-active layer alone.

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 methodological approach to study the stability of selected watercolours for painting reintegration, through reflectance spectrophotometry, Fourier transform infrared spectroscopy and hyperspectral imaging

NASA Astrophysics Data System (ADS)

Pelosi, Claudia; Capobianco, Giuseppe; Agresti, Giorgia; Bonifazi, Giuseppe; Morresi, Fabio; Rossi, Sara; Santamaria, Ulderico; Serranti, Silvia

2018-06-01

The aim of this work is to investigate the stability to simulated solar radiation of some paintings samples through a new methodological approach adopting non-invasive spectroscopic techniques. In particular, commercial watercolours and iron oxide based pigments were used, these last ones being prepared for the experimental by gum Arabic in order to propose a possible substitute for traditional reintegration materials. Reflectance spectrophotometry in the visible range and Hyperspectral Imaging in the short wave infrared were chosen as non-invasive techniques for evaluation the stability to irradiation of the chosen pigments. These were studied before and after artificial ageing procedure performed in Solar Box chamber under controlled conditions. Data were treated and elaborated in order to evaluate the sensitivity of the chosen techniques in identifying the variations on paint layers, induced by photo-degradation, before they could be observed by eye. Furthermore a supervised classification method for monitoring the painted surface changes adopting a multivariate approach was successfully applied.

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.

Determination of main components and anaerobic rumen digestibility of aquatic plants in vitro using near-infrared-reflectance spectroscopy.

PubMed

Yue, Zheng-Bo; Zhang, Meng-Lin; Sheng, Guo-Ping; Liu, Rong-Hua; Long, Ying; Xiang, Bing-Ren; Wang, Jin; Yu, Han-Qing

2010-04-01

A near-infrared-reflectance (NIR) spectroscopy-based method is established to determine the main components of aquatic plants as well as their anaerobic rumen biodegradability. The developed method is more rapid and accurate compared to the conventional chemical analysis and biodegradability tests. Moisture, volatile solid, Klason lignin and ash in entire aquatic plants could be accurately predicted using this method with coefficient of determination (r(2)) values of 0.952, 0.916, 0.939 and 0.950, respectively. In addition, the anaerobic rumen biodegradability of aquatic plants, represented as biogas and methane yields, could also be predicted well. The algorithm of continuous wavelet transform for the NIR spectral data pretreatment is able to greatly enhance the robustness and predictive ability of the NIR spectral analysis. These results indicate that NIR spectroscopy could be used to predict the main components of aquatic plants and their anaerobic biodegradability. Copyright (c) 2009 Elsevier Ltd. All rights reserved.

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.

Reflectance Infrared Spectroscopy on Operating Surface Acoustic Wave Chemical Sensors During Exposure to Gas-Phase Analytes

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

Hierlemann, A.; Hill, M.; Ricco, A.J.

We have developed instrumentation to enable the combination of surface acoustic wave (SAW) sensor measurements with direct, in-situ molecular spectroscopic measurements to understand the response of the SAW sensors with respect to the interfacial chemistry of surface-confined sensing films interacting with gas-phase analytes. Specifically, the instrumentation and software was developed to perform in-situ Fourier-transform infrared external-reflectance spectroscopy (FTIR-ERS) on operating SAW devices during dosing of their chemically modified surfaces with analytes. By probing the surface with IR spectroscopy during gas exposure, it is possible to understand in unprecedented detail the interaction processes between the sorptive SAW coatings and the gaseousmore » analyte molecules. In this report, we provide details of this measurement system, and also demonstrate the utility of these combined measurements by characterizing the SAW and FTIR-ERS responses of organic thin-film sensor coatings interacting with gas-phase analytes.« less

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.

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...

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.

A Field Portable Hyperspectral Goniometer for Coastal Characterization

NASA Technical Reports Server (NTRS)

Bachmann, Charles M.; Gray, Deric; Abelev, Andrei; Philpot, William; Fusina, Robert A.; Musser, Joseph A.; Vermillion, Michael; Doctor, Katarina; White, Maurice; Georgiev, Georgi

2012-01-01

During an airborne multi-sensor remote sensing experiment at the Virginia Coast Reserve (VCR) Long Term Ecological Research (LTER) site in June 2011 (VCR '11), first measurements were taken with the new NRL Goniometer for Outdoor Portable Hyperspectral Earth Reflectance (GOPHER). GOPHER measures the angular distribution of hyperspectral reflectance. GOPHER was constructed for NRL by Spectra Vista Corporation (SVC) and the University of Lethbridge through a capital equipment purchase in 2010. The GOPHER spectrometer is an SVC HR -1024, which measures hyperspectral reflectance over the range from 350 -2500 nm, the visible, near infrared, and short-wave infrared. During measurements, the spectrometer travels along a zenith quarter -arc track that can rotate in azimuth, allowing for measurement of the bi-directional reflectance distribution function (BRDF) over the whole hemisphere. The zenith arc has a radius of approximately 2m, and the spectrometer scan pattern can be programmed on the fly during calibration and validation efforts. The spectrometer and zenith arc assembly can be raised and lowered along a mast to allow for measurement of uneven terrain or vegetation canopies of moderate height. Hydraulics on the chassis allow for leveling of the instrument in the field. At just over 400 lbs, GOPHER is a field portable instrument and can be transformed into a compact trailer assembly for movement over long distances in the field.

Nanostructured diamond layers enhance the infrared spectroscopy of biomolecules.

PubMed

Kozak, Halyna; Babchenko, Oleg; Artemenko, Anna; Ukraintsev, Egor; Remes, Zdenek; Rezek, Bohuslav; Kromka, Alexander

2014-03-04

We report on the fabrication and practical use of high-quality optical elements based on Au mirrors coated with diamond layers with flat, nanocolumnar, and nanoporous morphologies. Diamond layers (100 nm thickness) are grown at low temperatures (about 300 °C) from a methane, carbon dioxide, and hydrogen gas mixture by a pulsed microwave plasma system with linear antennas. Using grazing angle reflectance (GAR) Fourier transform infrared spectroscopy with p-polarized light, we compare the IR spectra of fetal bovine serum proteins adsorbed on diamond layers with oxidized (hydrophilic) surfaces. We show that the nanoporous diamond layers provide IR spectra with a signal gain of about 600% and a significantly improved sensitivity limit. This is attributed to its enhanced internal surface area. The improved sensitivity enabled us to distinguish weak infrared absorption peaks of <10-nm-thick protein layers and thereby to analyze the intimate diamond-molecule interface.

Optical Properties of Iron Silicates in the Infrared to Millimeter as a Function of Wavelength and Temperature

NASA Technical Reports Server (NTRS)

Richey, C. R.; Kinzer, R. E.; Cataldo, G.; Wollack, E. J.; Nuth, J. A.; Benford, D. J.; Silverberg, R. F.; Rinehart, S. A.

2013-01-01

The Optical Properties of Astronomical Silicates with Infrared Techniques (OPASI-T) program utilizes multiple instruments to provide spectral data over a wide range of temperature and wavelengths. Experimental methods include Vector Network Analyzer (VNA) and Fourier Transform Spectroscopy (FTS) transmission, and reflection/scattering measurements. From this data, we can determine the optical parameters for the index of refraction, n, and the absorption coefficient, k. The analysis of the laboratory transmittance data for each sample type is based upon different mathematical models, which are applied to each data set according to their degree of coherence. Presented here are results from iron silicate dust grain analogs, in several sample preparations and at temperatures ranging from 5-300 K, across the infrared and millimeter portion of the spectrum (from 2.5-10,000 m or 4,000-1 cm(exp-1).

Optical Properties of Iron Silicates in the Infrared to Millimeter as a Function of Wavelength and Temperature

NASA Technical Reports Server (NTRS)

Richey, Christina Rae; Kinzer, R. E.; Cataldo, R. E. G.; Wollack, E. J.; Nuth, J. A.; Benford, D. J.; Silverberg, R. F.; Rinehart, S. A.

2013-01-01

The Optical Properties of Astronomical Silicates with Infrared Techniques (OPASI-T) program utilizes multiple instruments to provide spectral data over a wide range of temperature and wavelengths. Experimental methods include Vector Network Analyzer (VNA) and Fourier Transform Spectroscopy (FTS) transmission, and reflection/scattering measurements. From this data, we can determine the optical parameters for the index of refraction, n, and the absorption coefficient, k. The analysis of the laboratory transmittance data for each sample type is based upon different mathematical models, which are applied to each data set according to their degree of coherence. Presented here are results from iron silicate dust grain analogs, in several sample preparations and at temperatures ranging from 5-300 K, across the infrared and millimeter portion of the spectrum (from 2.5-10,000 µm or 4,000-1 cm(exp -1).

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.

An omnidirectional retroreflector based on the transmutation of dielectric singularities.

PubMed

Ma, Yun Gui; Ong, C K; Tyc, Tomás; Leonhardt, Ulf

2009-08-01

Transformation optics is a concept used in some metamaterials to guide light on a predetermined path. In this approach, the materials implement coordinate transformations on electromagnetic waves to create the illusion that the waves are propagating through a virtual space. Transforming space by appropriately designed materials makes devices possible that have been deemed impossible. In particular, transformation optics has led to the demonstration of invisibility cloaking for microwaves, surface plasmons and infrared light. Here, on the basis of transformation optics, we implement a microwave device that would normally require a dielectric singularity, an infinity in the refractive index. To fabricate such a device, we transmute a dielectric singularity in virtual space into a mere topological defect in a real metamaterial. In particular, we demonstrate an omnidirectional retroreflector, a device for faithfully reflecting images and for creating high visibility from all directions. Our method is robust, potentially broadband and could also be applied to visible light using similar techniques.

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

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.

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.

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.

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.

Modification of kaolinite surfaces through mechanochemical activation with quartz: A diffuse reflectance infrared fourier transform and chemometrics study.

PubMed

Carmody, Onuma; Frost, Ray L; Kristóf, János; Kokot, Serge; Kloprogge, J Theo; Makó, Eva

2006-12-01

Studies of kaolinite surfaces are of industrial importance. One useful method for studying the changes in kaolinite surface properties is to apply chemometric analyses to the kaolinite surface infrared spectra. A comparison is made between the mechanochemical activation of Kiralyhegy kaolinites with significant amounts of natural quartz and the mechanochemical activation of Zettlitz kaolinite with added quartz. Diffuse reflectance infrared Fourier transform (DRIFT) spectra were analyzed using principal component analysis (PCA) and multi-criteria decision making (MCDM) methods, the preference ranking organization method for enrichment evaluations (PROMETHEE) and geometrical analysis for interactive assistance (GAIA). The clear discrimination of the Kiralyhegy spectral objects on the two PC scores plots (400-800 and 800-2030 cm(-1)) indicated the dominance of quartz. Importantly, no ordering of any spectral objects appeared to be related to grinding time in the PC plots of these spectral regions. Thus, neither the kaolinite nor the quartz are systematically responsive to grinding time according to the spectral criteria investigated. The third spectral region (2600-3800 cm(-1), OH vibrations), showed apparent systematic ordering of the Kiralyhegy and, to a lesser extent, Zettlitz spectral objects with grinding time. This was attributed to the effect of the natural quartz on the delamination of kaolinite and the accompanying phenomena (i.e., formation of kaolinite spheres and water). The mechanochemical activation of kaolinite and quartz, through dry grinding, results in changes to the surface structure. Different grinding times were adopted to study the rate of destruction of the kaolinite and quartz structures. This relationship (i.e., grinding time) was classified using PROMETHEE and GAIA methodology.

Applications of fourier transform infrared spectroscopy to surface analysis problems 2

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

Powell, G.L.; Milosevic, M.

Applications of infrared spectroscopy to surface analysis are described in terms of the combined use of a number of techniques to solve specific surface analysis problems involving both qualitative and quantitative analysis of surface species. Emphasis is placed on the characterization of both the substrate and the surface species and the application of this to the monitoring of surface processes and the inspection of manufactured items. Lithium Hydride has been studied using remote analysis by diffuse reflectance in glove boxes containing very pure argon or controlled moisture levels with robot-operated gravimetric monitoring. These experiments are supported by internal reflectance andmore » diffuse reflectance measurements in spectrometer sample compartments to characterize the reactants. Beryllium oxide has been studied using an evacuable diffuse reflectance cell to determine the effects of vacuum baking reexposure to moisture on the surface hydroxyl species. Diffuse reflectance and emission measurements have been used to monitor the curing and reaction of environmental gases with composite materials such as graphite-expoxy structures. A direct comparison of diffuse reflectance and emission spectra was done using a barrel ellipsoid diffuse reflectance/emission detector and Spectropus optical transfer system. Grazing-incidence external-reflectance with p-polarized light was used to study the oxidation in room air of polished uranium coupons. The absorption band at 570 cm{sup {minus}1} was used to monitor the extent of oxidation with a resolution of approximately one monolayer of UO{sub 2} and to distinguish the parabolic, linear, and breakaway corrosion domains. External reflectance is compared with diffuse reflectance as a method for stain analysis and for measuring the effects of H{sub 2}O in UO{sub 2} corrosion films.« less

Applications of fourier transform infrared spectroscopy to surface analysis problems 2. Revision 1

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

Powell, G.L.; Milosevic, M.

Applications of infrared spectroscopy to surface analysis are described in terms of the combined use of a number of techniques to solve specific surface analysis problems involving both qualitative and quantitative analysis of surface species. Emphasis is placed on the characterization of both the substrate and the surface species and the application of this to the monitoring of surface processes and the inspection of manufactured items. Lithium Hydride has been studied using remote analysis by diffuse reflectance in glove boxes containing very pure argon or controlled moisture levels with robot-operated gravimetric monitoring. These experiments are supported by internal reflectance andmore » diffuse reflectance measurements in spectrometer sample compartments to characterize the reactants. Beryllium oxide has been studied using an evacuable diffuse reflectance cell to determine the effects of vacuum baking reexposure to moisture on the surface hydroxyl species. Diffuse reflectance and emission measurements have been used to monitor the curing and reaction of environmental gases with composite materials such as graphite-expoxy structures. A direct comparison of diffuse reflectance and emission spectra was done using a barrel ellipsoid diffuse reflectance/emission detector and Spectropus optical transfer system. Grazing-incidence external-reflectance with p-polarized light was used to study the oxidation in room air of polished uranium coupons. The absorption band at 570 cm{sup {minus}1} was used to monitor the extent of oxidation with a resolution of approximately one monolayer of UO{sub 2} and to distinguish the parabolic, linear, and breakaway corrosion domains. External reflectance is compared with diffuse reflectance as a method for stain analysis and for measuring the effects of H{sub 2}O in UO{sub 2} corrosion films.« less

Micro transflection on a metallic stick: an innovative approach of reflection infrared spectroscopy for minimally invasive investigation of painting varnishes.

PubMed

Rosi, Francesca; Legan, Lea; Miliani, Costanza; Ropret, Polonca

2017-05-01

A new analytical approach, based on micro-transflection measurements from a diamond-coated metal sampling stick, is presented for the analysis of painting varnishes. Minimally invasive sampling is performed from the varnished surface using the stick, which is directly used as a transflection substrate for micro Fourier transform infrared (FTIR) measurements. With use of a series of varnished model paints, the micro-transflection method has been proved to be a valuable tool for the identification of surface components thanks to the selectivity of the sampling, the enhancement of the absorbance signal, and the easier spectral interpretation because the profiles are similar to transmission mode ones. Driven by these positive outcomes, the method was then tested as tool supporting noninvasive reflection FTIR spectroscopy during the assessment of varnish removal by solvent cleaning on paint models. Finally, the integrated analytical approach based on the two reflection methods was successfully applied for the monitoring of the cleaning of the sixteenth century painting Presentation in the Temple by Vittore Carpaccio. Graphical Abstract Micro-transflection FTIR on a metallic stick for the identification of varnishes during painting cleanings.

Identification of oil residues in Roman amphorae (Monte Testaccio, Rome): a comparative FTIR spectroscopic study of archeological and artificially aged samples.

PubMed

Tarquini, Gabriele; Nunziante Cesaro, Stella; Campanella, Luigi

2014-01-01

The application of Fourier Transform InfraRed (FTIR) spectroscopy to the analysis of oil residues in fragments of archeological amphorae (3rd century A.D.) from Monte Testaccio (Rome, Italy) is reported. In order to check the possibility to reveal the presence of oil residues in archeological pottery using microinvasive and\\or not invasive techniques, different approaches have been followed: firstly, FTIR spectroscopy was used to study oil residues extracted from roman amphorae. Secondly, the presence of oil residues was ascertained analyzing microamounts of archeological fragments with the Diffuse Reflectance Infrared Spectroscopy (DRIFT). Finally, the external reflection analysis of the ancient shards was performed without preliminary treatments evidencing the possibility to detect oil traces through the observation of the most intense features of its spectrum. Incidentally, the existence of carboxylate salts of fatty acids was also observed in DRIFT and Reflectance spectra of archeological samples supporting the roman habit of spreading lime over the spoil heaps. The data collected in all steps were always compared with results obtained on purposely made replicas. © 2013 Elsevier B.V. All rights reserved.

[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.

Strong confinement of optical fields using localized surface phonon polaritons in cubic boron nitride.

PubMed

Chatzakis, Ioannis; Krishna, Athith; Culbertson, James; Sharac, Nicholas; Giles, Alexander J; Spencer, Michael G; Caldwell, Joshua D

2018-05-01

Phonon polaritons (PhPs) are long-lived electromagnetic modes that originate from the coupling of infrared (IR) photons with the bound ionic lattice of a polar crystal. Cubic-boron nitride (cBN) is such a polar, semiconductor material which, due to the light atomic masses, can support high-frequency optical phonons. Here we report on random arrays of cBN nanostructures fabricated via an unpatterned reactive ion etching process. Fourier-transform infrared reflection spectra suggest the presence of localized surface PhPs within the reststrahlen band, with quality factors in excess of 38 observed. These can provide the basis of next-generation IR optical components such as antennas for communication, improved chemical spectroscopies, and enhanced emitters, sources, and detectors.

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.

Application of reflectance colorimeter measurements and infrared spectroscopy methods to rapid and nondestructive evaluation of carotenoids content in apricot (Prunus armeniaca L.).

PubMed

Ruiz, David; Reich, Maryse; Bureau, Sylvie; Renard, Catherine M G C; Audergon, Jean-Marc

2008-07-09

The importance of carotenoid content in apricot (Prunus armeniaca L.) is recognized not only because of the color that they impart but also because of their protective activity against human diseases. Current methods to assess carotenoid content are time-consuming, expensive, and destructive. In this work, the application of rapid and nondestructive methods such as colorimeter measurements and infrared spectroscopy has been evaluated for carotenoid determination in apricot. Forty apricot genotypes covering a wide range of peel and flesh colors have been analyzed. Color measurements on the skin and flesh ( L*, a*, b*, hue, chroma, and a*/ b* ratio) as well as Fourier transform near-infrared spectroscopy (FT-NIR) on intact fruits and Fourier transform mid-infrared spectroscopy (FT-MIR) on ground flesh were correlated with the carotenoid content measured by high-performance liquid chromatography. A high variability in color values and carotenoid content was observed. Partial least squares regression analyses between beta-carotene content and provitamin A activity and color measurements showed a high fit in peel, flesh, and edible apricot portion (R(2) ranged from 0.81 to 0.91) and low prediction error. Regression equations were developed for predicting carotenoid content by using color values, which appeared as a simple, rapid, reliable, and nondestructive method. However, FT-NIR and FT-MIR models showed very low R(2) values and very high prediction errors for carotenoid content.

Structural and optical investigation on the wings of Idea malabarica (Moore, 1877).

PubMed

Sackey, Juliet; Nuru, Zebib Y; Sone, Bertrand Tumbain; Maaza, Malik

2017-02-01

The nanostructures on the wings of Idea malabarica (Moore, 1877) were analysed using scanning electron microscopy, energy dispersive X-ray spectroscopy, atomic force microscopy, Fourier transform-infrared spectroscopy, and reflectance measurements. The chemical and morphological analyses revealed the chitin-based intricate nanostructures. The influence of the nanostructures on the wetting characteristics of the wing was investigated using optical imaging. Applying the Maxwell-Garnet approximation to the porosities within the nanostructures, the refractive indices, which relate the reflectance response, were estimated. It was concluded that the colour seen on the wings of the Idea malabarica originate from the nanostructural configurations of the chitin-based structures and the embedded pigment.

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.

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.

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.

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 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.

Imaging the Material Properties of Bone Specimens using Reflection-Based Infrared Microspectroscopy

PubMed Central

Acerbo, Alvin S.; Carr, G. Lawrence; Judex, Stefan; Miller, Lisa M.

2012-01-01

Fourier Transform InfraRed Microspectroscopy (FTIRM) is a widely used method for mapping the material properties of bone and other mineralized tissues, including mineralization, crystallinity, carbonate substitution, and collagen cross-linking. This technique is traditionally performed in a transmission-based geometry, which requires the preparation of plastic-embedded thin sections, limiting its functionality. Here, we theoretically and empirically demonstrate the development of reflection-based FTIRM as an alternative to the widely adopted transmission-based FTIRM, which reduces specimen preparation time and broadens the range of specimens that can be imaged. In this study, mature mouse femurs were plastic-embedded and longitudinal sections were cut at a thickness of 4 μm for transmission-based FTIRM measurements. The remaining bone blocks were polished for specular reflectance-based FTIRM measurements on regions immediately adjacent to the transmission sections. Kramers-Kronig analysis of the reflectance data yielded the dielectric response from which the absorption coefficients were directly determined. The reflectance-derived absorbance was validated empirically using the transmission spectra from the thin sections. The spectral assignments for mineralization, carbonate substitution, and collagen cross-linking were indistinguishable in transmission and reflection geometries, while the stoichiometric/non-stoichiometric apatite crystallinity parameter shifted from 1032 / 1021 cm−1 in transmission-based to 1035 / 1025 cm−1 in reflection-based data. This theoretical demonstration and empirical validation of reflection-based FTIRM eliminates the need for thin sections of bone and more readily facilitates direct correlations with other methods such nanoindentation and quantitative backscatter electron imaging (qBSE) from the same specimen. It provides a unique framework for correlating bone’s material and mechanical properties. PMID:22455306

Soil emissivity and reflectance spectra measurements

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

Sobrino, Jose A.; Mattar, Cristian; Pardo, Pablo

We present an analysis of the laboratory reflectance and emissivity spectra of 11 soil samples collected on different field campaigns carried out over a diverse suite of test sites in Europe, North Africa, and South America from 2002 to 2008. Hemispherical reflectance spectra were measured from 2.0 to 14 {mu}m with a Fourier transform infrared spectrometer, and x-ray diffraction analysis (XRD) was used to determine the mineralogical phases of the soil samples. Emissivity spectra were obtained from the hemispherical reflectance measurements using Kirchhoff's law and compared with in situ radiance measurements obtained with a CIMEL Electronique CE312-2 thermal radiometer andmore » converted to emissivity using the Advanced Spaceborne Thermal Emission and Reflection Radiometer (ASTER) temperature and emissivity separation algorithm. The CIMEL has five narrow bands at approximately the same positions as the ASTER. Results show a root mean square error typically below 0.015 between laboratory emissivity measurements and emissivity measurements derived from the field radiometer.« less

Infrared and laser-Raman spectroscopic studies of thermally-induced globular protein gels.

PubMed

Clark, A H; Saunderson, D H; Suggett, A

1981-03-01

Infrared and laser-Raman spectroscopy have been used to follow secondary structure changes during the heat-set gelation of a number of aqueous (D2O) globular protein solutions. Measurements of the infrared Amide I' absorption band around 1650 cm-1, for BSA gels of varying clarity and texture, have shown that the very considerable variations in network structure underlying these materials are not reflected in obvious differences in secondary structure. In all cases aggregation is accompanied by development of beta-sheet of a kind common in fibrous protein systems, but for BSA at least this does not appear to vary significantly in amount from one gel type to another. Infrared studies of gels formed from other protein systems have confirmed this tendency for beta-sheet to develop during aggregation, and the tendency is further substantiated by laser-Raman evidence which provides the extra information that in most of the examples studied alpha-helix content simultaneously falls. From these, and other observations, some generalisations are made about the thermally-induced sol-to-gel transformations of globular proteins.

Infrared spectroscopy as a screening technique for colitis

NASA Astrophysics Data System (ADS)

Titus, Jitto; Ghimire, Hemendra; Viennois, Emilie; Merlin, Didier; Perera, A. G. Unil

2017-05-01

There remains a great need for diagnosis of inflammatory bowel disease (IBD), for which the current technique, colonoscopy, is not cost-effective and presents a non-negligible risk for complications. Attenuated Total Reflectance Fourier Transform Infrared (ATR-FTIR) spectroscopy is a new screening technique to evaluate colitis. Comparing infrared spectra of sera to study the differences between them can prove challenging due to the complexity of its biological constituents giving rise to a plethora of vibrational modes. Overcoming these inherent infrared spectral analysis difficulties involving highly overlapping absorbance peaks and the analysis of the data by curve fitting to improve the resolution is discussed. The proposed technique uses colitic and normal wild type mice dried serum to obtain ATR/FTIR spectra to effectively differentiate colitic mice from normal mice. Using this method, Amide I group frequency (specifically, alpha helix to beta sheet ratio of the protein secondary structure) was identified as disease associated spectral signature in addition to the previously reported glucose and mannose signatures in sera of chronic and acute mice models of colitis. Hence, this technique will be able to identify changes in the sera due to various diseases.

Study on the prediction of soil heavy metal elements content based on visible near-infrared spectroscopy.

PubMed

Liu, Jinbao; Zhang, Yang; Wang, Huanyuan; Du, Yichun

2018-06-15

The estimation of soils heavy metal content can reflect the impending surroundings of surface, which lays theoretical foundation for using covered vegetation to monitor environment and investigate resource. In this study, the contents of Cr, Mn, Ni, Cu, Zn, As, Cd, Hg and Pb in 44 soil samples were collected from Fufeng County, Yangling County and Wugong County, Shaanxi Province and were used as data sources. ASD FieldSpec HR (350-2500nm), and then the NOR, MSC and SNV of the reflectance were pretreated, the first deviation, second deviation and reflectance reciprocal logarithmic transformation were carried out. The optimal spectroscopy estimation model of nine heavy metal elements of Cr, Mn, Ni, Cu, Zn, As, Cd, Hg and Pb was established by regression method. Comparing the diffuse reflectance characteristics of different heavy metal contents and the effect of different pretreatment methods on the establishment of soil heavy metal spectral inversion model. The results of chemical analysis show that there was a serious Hg pollution in the study area, and the Cd content was close to the critical value. The results show that: (1) NOR, MSC and SNV were adopted for the acquisition of visible near-infrared. Combining differential transformation can improve the information of heavy metal elements in the soil, and use the correlation band energy Significantly improve the stability and predictability of the model. (2) The modeling accuracy of the optimal model of nine heavy metal spectra of Cr, Mn, Ni, Cu, Zn, As, Cd, Hg and Pb by PLSR method were 0.70, 0.79, 0.69, 0.81, 0.86, 0.58, 0.55, 0.99, 0.62. (3) The optimal estimation model of different elements using different treatment methods has better stability and higher precision, and can realize the rapid prediction of nine kinds of heavy metal elements in this region. Copyright © 2018 Elsevier B.V. All rights reserved.

Study on the prediction of soil heavy metal elements content based on visible near-infrared spectroscopy

NASA Astrophysics Data System (ADS)

Liu, Jinbao; Zhang, Yang; Wang, Huanyuan; Du, Yichun

2018-06-01

The estimation of soils heavy metal content can reflect the impending surroundings of surface, which lays theoretical foundation for using covered vegetation to monitor environment and investigate resource. In this study, the contents of Cr, Mn, Ni, Cu, Zn, As, Cd, Hg and Pb in 44 soil samples were collected from Fufeng County, Yangling County and Wugong County, Shaanxi Province and were used as data sources. ASD FieldSpec HR (350-2500 nm), and then the NOR, MSC and SNV of the reflectance were pretreated, the first deviation, second deviation and reflectance reciprocal logarithmic transformation were carried out. The optimal spectroscopy estimation model of nine heavy metal elements of Cr, Mn, Ni, Cu, Zn, As, Cd, Hg and Pb was established by regression method. Comparing the diffuse reflectance characteristics of different heavy metal contents and the effect of different pretreatment methods on the establishment of soil heavy metal spectral inversion model. The results of chemical analysis show that there was a serious Hg pollution in the study area, and the Cd content was close to the critical value. The results show that: (1) NOR, MSC and SNV were adopted for the acquisition of visible near-infrared. Combining differential transformation can improve the information of heavy metal elements in the soil, and use the correlation band energy Significantly improve the stability and predictability of the model. (2) The modeling accuracy of the optimal model of nine heavy metal spectra of Cr, Mn, Ni, Cu, Zn, As, Cd, Hg and Pb by PLSR method were 0.70, 0.79, 0.69, 0.81, 0.86, 0.58, 0.55, 0.99, 0.62. (3) The optimal estimation model of different elements using different treatment methods has better stability and higher precision, and can realize the rapid prediction of nine kinds of heavy metal elements in this region.

QUANTITATIVE FOURIER TRANSFORM INFRARED SPECTROSCOPIC INVESTIGATION OF HUMIC SUBSTANCE FUNCTIONAL GROUP COMPOSITION

EPA Science Inventory

Infrared (IR) spectroscopy has been widely used for the structural investigation of humic substances. Although Fourier Transform Infrared (FTIR) instrumentation has been available for sometime, relatively little work with these instruments has been reported for humic substances,...

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.

[Study on discrimination of varieties of fire resistive coating for steel structure based on near-infrared spectroscopy].

PubMed

Xue, Gang; Song, Wen-qi; Li, Shu-chao

2015-01-01

In order to achieve the rapid identification of fire resistive coating for steel structure of different brands in circulating, a new method for the fast discrimination of varieties of fire resistive coating for steel structure by means of near infrared spectroscopy was proposed. The raster scanning near infrared spectroscopy instrument and near infrared diffuse reflectance spectroscopy were applied to collect the spectral curve of different brands of fire resistive coating for steel structure and the spectral data were preprocessed with standard normal variate transformation(standard normal variate transformation, SNV) and Norris second derivative. The principal component analysis (principal component analysis, PCA)was used to near infrared spectra for cluster analysis. The analysis results showed that the cumulate reliabilities of PC1 to PC5 were 99. 791%. The 3-dimentional plot was drawn with the scores of PC1, PC2 and PC3 X 10, which appeared to provide the best clustering of the varieties of fire resistive coating for steel structure. A total of 150 fire resistive coating samples were divided into calibration set and validation set randomly, the calibration set had 125 samples with 25 samples of each variety, and the validation set had 25 samples with 5 samples of each variety. According to the principal component scores of unknown samples, Mahalanobis distance values between each variety and unknown samples were calculated to realize the discrimination of different varieties. The qualitative analysis model for external verification of unknown samples is a 10% recognition ration. The results demonstrated that this identification method can be used as a rapid, accurate method to identify the classification of fire resistive coating for steel structure and provide technical reference for market regulation.

Detection of cracks on tomatoes using hyperspectral near-infrared reflectance imaging system

USDA-ARS?s Scientific Manuscript database

The objective of this study was to evaluate the use of hyperspectral near-infrared (NIR) reflectance imaging techniques for detection of cuticle cracks on tomatoes. A hyperspectral near-infrared reflectance imaging system in the region of 1000-1700 nm was used to obtain hyperspectral reflectance ima...

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.

Dual-channel operation in a synchronously pumped optical parametric oscillator for the generation of broadband mid-infrared coherent light sources.

PubMed

Liu, Pei; Wang, Sicong; He, Puyuan; Zhang, Zhaowei

2018-05-01

We report, to the best of our knowledge, a novel approach for generating broadband mid-infrared (mid-IR) light by implementing a dual-channel scheme in a synchronously pumped optical parametric oscillator (SPOPO). Two-channel operation was achieved by inserting a prism pair and two reflection mirrors inside an optical parametric oscillator (OPO) cavity. Pumped by a Yb-fiber laser, the OPO generated an idler wave at ∼3150  nm with a -10  dB bandwidth of ∼13.2  THz, which was twice as much as that of the pump source. This scheme represents a promising technical route to transform conventional SPOPOs into a device capable of generating mid-IR light with very broad instantaneous bandwidth.

Infrared spectroscopy of radiation-chemical transformation of n-hexane on a beryllium surface

NASA Astrophysics Data System (ADS)

Gadzhieva, N. N.

2017-07-01

The radiation-chemical decomposition of n-hexane in a Be- n-hexane system under the effect of γ-irradiation at room temperature is studied by infrared reflection-absorption spectroscopy. In the absorbed dose range 5 kGy ≤ Vγ ≤ 50 kGy, intermediate surface products of radiation-heterogeneous decomposition of n-hexane (beryllium alkyls, π-olefin complexes, and beryllium hydrides) are detected. It is shown that complete radiolysis occurs at Vγ = 30 kGy; below this dose, decomposition of n-hexane occurs only partially, while higher doses lead to steady-state saturation. The radiation-chemical yield of the final decomposition product—molecular hydrogen—is determined to be G ads(H2) = 24.8 molecules/100 eV. A possible mechanism of this process is discussed.

Dark, Infrared Reflective, and Superhydrophobic Coatings by Waterborne Resins.

PubMed

Zhang, Jing; Lin, Weiqiang; Zhu, Chenxi; Lv, Jian; Zhang, Weicheng; Feng, Jie

2018-05-15

Recently, infrared reflective pigments possessing deep colors have attracted much attention. However, in polluted air, the coatings consisting of such pigments are easily contaminated which abates infrared reflectivity. In this work, black and infrared reflective pigments, fluorine silicon sol and a small number of SiO 2 nanoparticles were introduced into waterborne epoxy resin emulsion and then coated on an aluminum plate. After drying, black coatings with infrared reflective and superhydrophobic (SH) properties were obtained. The average near-infrared (NIR) reflectivity of the coating over wavelength range of 780-2600 nm can reach 68%, which is much larger than that of carbon black coatings and even approaches that of white nano SiO 2 coatings. Under the irradiation of a 275-W infrared lamp (with height 40 cm), the surface temperature of the coating is 63 °C, which is much lower than that of the carbon black coating (90 °C) and only 7 °C higher than that of the white nano SiO 2 coating. Furthermore, the NIR reflective coating exhibited a typical SH property due to its low surface energy and high surface roughness, which may allow for self-cleaning performance in a practical environment, maintaining the coating's NIR reflective property.

On the prediction of threshold friction velocity of wind erosion using soil reflectance spectroscopy

NASA Astrophysics Data System (ADS)

Li, Junran; Flagg, Cody; Okin, Gregory S.; Painter, Thomas H.; Dintwe, Kebonye; Belnap, Jayne

2015-12-01

Current approaches to estimate threshold friction velocity (TFV) of soil particle movement, including both experimental and empirical methods, suffer from various disadvantages, and they are particularly not effective to estimate TFVs at regional to global scales. Reflectance spectroscopy has been widely used to obtain TFV-related soil properties (e.g., moisture, texture, crust, etc.), however, no studies have attempted to directly relate soil TFV to their spectral reflectance. The objective of this study was to investigate the relationship between soil TFV and soil reflectance in the visible and near infrared (VIS-NIR, 350-2500 nm) spectral region, and to identify the best range of wavelengths or combinations of wavelengths to predict TFV. Threshold friction velocity of 31 soils, along with their reflectance spectra and texture were measured in the Mojave Desert, California and Moab, Utah. A correlation analysis between TFV and soil reflectance identified a number of isolated, narrow spectral domains that largely fell into two spectral regions, the VIS area (400-700 nm) and the short-wavelength infrared (SWIR) area (1100-2500 nm). A partial least squares regression analysis (PLSR) confirmed the significant bands that were identified by correlation analysis. The PLSR further identified the strong relationship between the first-difference transformation and TFV at several narrow regions around 1400, 1900, and 2200 nm. The use of PLSR allowed us to identify a total of 17 key wavelengths in the investigated spectrum range, which may be used as the optimal spectral settings for estimating TFV in the laboratory and field, or mapping of TFV using airborne/satellite sensors.

ENVIRONMENTAL ANALYSIS BY AB INITIO QUANTUM MECHANICAL COMPUTATION AND GAS CHROMATOGRAPHY/FOURIER TRANSFORM INFRARED SPECTROMETRY.

EPA Science Inventory

Computational chemistry, in conjunction with gas chromatography/mass spectrometry/Fourier transform infrared spectrometry (GC/MS/FT-IR), was used to tentatively identify seven tetrachlorobutadiene (TCBD) isomers detected in an environmental sample. Computation of the TCBD infrare...

Estimating the marine signal in the near infrared for atmospheric correction of satellite ocean-color imagery over turbid waters

NASA Astrophysics Data System (ADS)

Bourdet, Alice; Frouin, Robert J.

2014-11-01

The classic atmospheric correction algorithm, routinely applied to second-generation ocean-color sensors such as SeaWiFS, MODIS, and MERIS, consists of (i) estimating the aerosol reflectance in the red and near infrared (NIR) where the ocean is considered black (i.e., totally absorbing), and (ii) extrapolating the estimated aerosol reflectance to shorter wavelengths. The marine reflectance is then retrieved by subtraction. Variants and improvements have been made over the years to deal with non-null reflectance in the red and near infrared, a general situation in estuaries and the coastal zone, but the solutions proposed so far still suffer some limitations, due to uncertainties in marine reflectance modeling in the near infrared or difficulty to extrapolate the aerosol signal to the blue when using observations in the shortwave infrared (SWIR), a spectral range far from the ocean-color wavelengths. To estimate the marine signal (i.e., the product of marine reflectance and atmospheric transmittance) in the near infrared, the proposed approach is to decompose the aerosol reflectance in the near infrared to shortwave infrared into principal components. Since aerosol scattering is smooth spectrally, a few components are generally sufficient to represent the perturbing signal, i.e., the aerosol reflectance in the near infrared can be determined from measurements in the shortwave infrared where the ocean is black. This gives access to the marine signal in the near infrared, which can then be used in the classic atmospheric correction algorithm. The methodology is evaluated theoretically from simulations of the top-of-atmosphere reflectance for a wide range of geophysical conditions and angular geometries and applied to actual MODIS imagery acquired over the Gulf of Mexico. The number of discarded pixels is reduced by over 80% using the PC modeling to determine the marine signal in the near infrared prior to applying the classic atmospheric correction algorithm.

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.

Capabilities and limitations of handheld Diffuse Reflectance Infrared Fourier Transform Spectroscopy (DRIFTS) for the analysis of colourants and binders in 20th-century reverse paintings on glass

NASA Astrophysics Data System (ADS)

Steger, Simon; Stege, Heike; Bretz, Simone; Hahn, Oliver

2018-04-01

A non-invasive method has been carried out to show the capabilities and limitations of Diffuse Reflectance Infrared Fourier Transform Spectroscopy (DRIFTS) for identifying of colourants and binders in modern reverse glass paintings. For this purpose, the reverse glass paintings "Zwei Frauen am Tisch" (1920-22), "Bäume" (1946) (both by Heinrich Campendonk), "Lofoten" (1933) (Edith Campendonk-van Leckwyck) and "Ohne Titel" (1954) (Marianne Uhlenhuth), were measured. In contrast to other techniques (e.g. panel and mural painting), the paint layers are applied in reverse succession. In multi-layered paint systems, the front paint layer may no longer be accessible. The work points out the different spectral appearance of a given substance (gypsum, basic lead white) in reverse glass paintings. However, inverted bands, band overlapping and derivative-shaped spectral features can be interpreted by comparing the spectra from the paintings with spectra from pure powders and pigment/linseed oil mock-ups. Moreover, the work focuses on this method's capabilities in identifying synthetic organic pigments (SOP). Reference spectra of three common SOP (PG7, PY1, PR83) were obtained from powders and historical colour charts. We identified PR83 and PY1 in two reverse glass paintings, using the measured reference spectra. The recorded DRIFTS spectra of pure linseed oil, gum Arabic, mastic, polyvinyl acetate resin and bees wax can be used to classify the binding media of the measured paintings.

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.

Quantitative analysis of bayberry juice acidity based on visible and near-infrared spectroscopy

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

Shao Yongni; He Yong; Mao Jingyuan

Visible and near-infrared (Vis/NIR) reflectance spectroscopy has been investigated for its ability to nondestructively detect acidity in bayberry juice. What we believe to be a new, better mathematic model is put forward, which we have named principal component analysis-stepwise regression analysis-backpropagation neural network (PCA-SRA-BPNN), to build a correlation between the spectral reflectivity data and the acidity of bayberry juice. In this model, the optimum network parameters,such as the number of input nodes, hidden nodes, learning rate, and momentum, are chosen by the value of root-mean-square (rms) error. The results show that its prediction statistical parameters are correlation coefficient (r) ofmore » 0.9451 and root-mean-square error of prediction(RMSEP) of 0.1168. Partial least-squares (PLS) regression is also established to compare with this model. Before doing this, the influences of various spectral pretreatments (standard normal variate, multiplicative scatter correction, S. Golay first derivative, and wavelet package transform) are compared. The PLS approach with wavelet package transform preprocessing spectra is found to provide the best results, and its prediction statistical parameters are correlation coefficient (r) of 0.9061 and RMSEP of 0.1564. Hence, these two models are both desirable to analyze the data from Vis/NIR spectroscopy and to solve the problem of the acidity prediction of bayberry juice. This supplies basal research to ultimately realize the online measurements of the juice's internal quality through this Vis/NIR spectroscopy technique.« less

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.

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.

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.

A methodological approach to study the stability of selected watercolours for painting reintegration, through reflectance spectrophotometry, Fourier transform infrared spectroscopy and hyperspectral imaging.

PubMed

Pelosi, Claudia; Capobianco, Giuseppe; Agresti, Giorgia; Bonifazi, Giuseppe; Morresi, Fabio; Rossi, Sara; Santamaria, Ulderico; Serranti, Silvia

2018-06-05

The aim of this work is to investigate the stability to simulated solar radiation of some paintings samples through a new methodological approach adopting non-invasive spectroscopic techniques. In particular, commercial watercolours and iron oxide based pigments were used, these last ones being prepared for the experimental by gum Arabic in order to propose a possible substitute for traditional reintegration materials. Reflectance spectrophotometry in the visible range and Hyperspectral Imaging in the short wave infrared were chosen as non-invasive techniques for evaluation the stability to irradiation of the chosen pigments. These were studied before and after artificial ageing procedure performed in Solar Box chamber under controlled conditions. Data were treated and elaborated in order to evaluate the sensitivity of the chosen techniques in identifying the variations on paint layers, induced by photo-degradation, before they could be observed by eye. Furthermore a supervised classification method for monitoring the painted surface changes adopting a multivariate approach was successfully applied. Copyright © 2018 Elsevier B.V. All rights reserved.

EVALUATION OF A PORTABLE FOURIER TRANSFORM INFRARED GAS ANALYZER FOR MEASUREMENTS OF AIR TOXICS IN POLLUTION PREVENTION RESEARCH

EPA Science Inventory

A portable Fourier transform infrared gas analyzer with a photoacoustic detector performed reliably during pollution prevention research at two industrial facilities. It exhibited good agreement (within approximately 6%) with other analytical instruments (dispersive infrared and ...

An FTIR point sensor for identifying chemical WMD and hazardous materials

NASA Astrophysics Data System (ADS)

Norman, Mark L.; Gagnon, Aaron M.; Reffner, John A.; Schiering, David W.; Allen, Jeffrey D.

2004-03-01

A new point sensor for identifying chemical weapons of mass destruction and other hazardous materials based on Fourier transform infrared (FT-IR) spectroscopy is presented. The sensor is a portable, fully functional FT-IR system that features a miniaturized Michelson interferometer, an integrated diamond attenuated total reflection (ATR) sample interface, and an embedded on-board computer. Samples are identified by an automated search algorithm that compares their infrared spectra to digitized databases that include reference spectra of nerve and blister agents, toxic industrial chemicals, and other hazardous materials. The hardware and software are designed for use by technicians with no background in infrared spectroscopy. The unit, which is fully self-contained, can be hand-carried and used in a hot zone by personnel in Level A protective gear, and subsequently decontaminated by spraying or immersion. Wireless control by a remote computer is also possible. Details of the system design and performance, including results of field validation tests, are discussed.

ISO observations of the reflection nebula Ced 201: evolution of carbonaceous dust

NASA Astrophysics Data System (ADS)

Cesarsky, D.; Lequeux, J.; Ryter, C.; Gérin, M.

2000-02-01

We present spectrophotometric imaging mid-IR observations of the reflection nebula Ced 201. Ced 201 is a part of a molecular cloud illuminated by a B9.5V star moving through it at more than 12 km s-1. The spectra of Ced 201 give evidence for transformation of very small carbonaceous grains into the carriers of the Aromatic Infrared Bands (AIBs), due to the radiation field of the illuminating star and/or to shock waves created by its motion. These very small grains emit mainly very broad bands and a continuum. We suggest that they are present everywhere in the interstellar medium but can only be detected in the mid-IR under special circumstances such as those prevailing in this reflection nebula. The efficiency of energy conversion of stellar light into mid-infrared emission is 7.5% for both the very small grains and the AIB carriers, and the fraction of interstellar carbon locked in these emitters is approximately 15%. Based on observations at the Cal Tech submillimeter observatory (CSO) and with ISO, an ESA project with instruments funded by ESA member states (especially the PI countries: France, Germany, the Netherlands and the United Kingdom) and with the participation of ISAS and NASA.

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.

Rapid determination of sugar level in snack products using infrared spectroscopy.

PubMed

Wang, Ting; Rodriguez-Saona, Luis E

2012-08-01

Real-time spectroscopic methods can provide a valuable window into food manufacturing to permit optimization of production rate, quality and safety. There is a need for cutting edge sensor technology directed at improving efficiency, throughput and reliability of critical processes. The aim of the research was to evaluate the feasibility of infrared systems combined with chemometric analysis to develop rapid methods for determination of sugars in cereal products. Samples were ground and spectra were collected using a mid-infrared (MIR) spectrometer equipped with a triple-bounce ZnSe MIRacle attenuated total reflectance accessory or Fourier transform near infrared (NIR) system equipped with a diffuse reflection-integrating sphere. Sugar contents were determined using a reference HPLC method. Partial least squares regression (PLSR) was used to create cross-validated calibration models. The predictability of the models was evaluated on an independent set of samples and compared with reference techniques. MIR and NIR spectra showed characteristic absorption bands for sugars, and generated excellent PLSR models (sucrose: SEP < 1.7% and r > 0.96). Multivariate models accurately and precisely predicted sugar level in snacks allowing for rapid analysis. This simple technique allows for reliable prediction of quality parameters, and automation enabling food manufacturers for early corrective actions that will ultimately save time and money while establishing a uniform quality. The U.S. snack food industry generates billions of dollars in revenue each year and vibrational spectroscopic methods combined with pattern recognition analysis could permit optimization of production rate, quality, and safety of many food products. This research showed that infrared spectroscopy is a powerful technique for near real-time (approximately 1 min) assessment of sugar content in various cereal products. © 2012 Institute of Food Technologists®

Prediction of soil organic carbon in a coal mining area by Vis-NIR spectroscopy.

PubMed

Sun, Wenjuan; Li, Xinju; Niu, Beibei

2018-01-01

Coal mining has led to increasingly serious land subsidence, and the reclamation of the subsided land has become a hot topic of concern for governments and scholars. Soil quality of reclaimed land is the key indicator to the evaluation of the reclamation effect; hence, rapid monitoring and evaluation of reclaimed land is of great significance. Visible-near infrared (Vis-NIR) spectroscopy has been shown to be a rapid, timely and efficient tool for the prediction of soil organic carbon (SOC). In this study, 104 soil samples were collected from the Baodian mining area of Shandong province. Vis-NIR reflectance spectra and soil organic carbon content were then measured under laboratory conditions. The spectral data were first denoised using the Savitzky-Golay (SG) convolution smoothing method or the multiple scattering correction (MSC) method, after which the spectral reflectance (R) was subjected to reciprocal, reciprocal logarithm and differential transformations to improve spectral sensitivity. Finally, regression models for estimating the SOC content by the spectral data were constructed using partial least squares regression (PLSR). The results showed that: (1) The SOC content in the mining area was generally low (at the below-average level) and exhibited great variability. (2) The spectral reflectance increased with the decrease of soil organic carbon content. In addition, the sensitivity of the spectrum to the change in SOC content, especially that in the near-infrared band of the original reflectance, decreased when the SOC content was low. (3) The modeling results performed best when the spectral reflectance was preprocessed by Savitzky-Golay (SG) smoothing coupled with multiple scattering correction (MSC) and first-order differential transformation (modeling R2 = 0.86, RMSE = 2.00 g/kg, verification R2 = 0.78, RMSE = 1.81 g/kg, and RPD = 2.69). In addition, the first-order differential of R combined with SG, MSC with R, SG together with MSC and R also produced better modeling results than other pretreatment combinations. Vis-NIR modeling with specific spectral preprocessing methods could predict SOC content effectively.

Plant tissue and the color infrared record

NASA Technical Reports Server (NTRS)

Pease, R. W.

1969-01-01

Green plant tissue should not be considered as having a uniguely high near-infrared reflectance but rather a low visual reflectance. Leaf tissue without chloroplasts appears to reflect well both visual and near infrared wavelengths. The sensitometry of color infrared film is such that a spectral imbalance strongly favoring infrared reflection is necessary to yield a red record. It is the absorption of visual light by chlorophyll that creates the imbalance that makes the typical red record for plants possible. Reflectance measurements of leaves that have been chemically blanched or which have gone into natural chloride decline strongly suggests that it is the rise in the visual reflectance that is most important in removing the imbalance and degrading the red CIR record. The role of water in leaves appears to be that of rendering epidermal membranes translucent so that the underlying chlorophyll controls the reflection rather than the leaf surface.

Infrared reflective coatings for building and automobile glass windows for heat protection

NASA Astrophysics Data System (ADS)

Butt, M. A.; Fomchenkov, S. A.; Kazanskiy, N. L.; Ullah, A.; Ali, R. Z.; Habib, M.

2017-04-01

Sunlight can be used a source of light in buildings and automobiles, however infrared wavelengths in sunlight result in heating. In this work, Infrared Reflective Coatings are designed using thin films to transmit visible wavelengths 400 700 nm while reflecting infrared wavelengths above 700 nm. Three different design approaches have been used, namely single layer of metal, sandwich structure and multilayer design. Four metals (Ag, Au, Al and Cu) and two dielectrics (TiO2 and SiO2) are used in this study. Designs with Ag show maximum reflection of Infrared wavelengths in all designs. Sandwich structures of TiO2-Ag-TiO2 on substrate with 22 nm of thickness for each layer show the maximum transmission of 87% in the visible region and maximum reflection of Infrared wavelengths.

3D spectral imaging with synchrotron Fourier transform infrared spectro-microtomography

Treesearch

Michael C. Martin; Charlotte Dabat-Blondeau; Miriam Unger; Julia Sedlmair; Dilworth Y. Parkinson; Hans A. Bechtel; Barbara Illman; Jonathan M. Castro; Marco Keiluweit; David Buschke; Brenda Ogle; Michael J. Nasse; Carol J. Hirschmugl

2013-01-01

We report Fourier transform infrared spectro-microtomography, a nondestructive three-dimensional imaging approach that reveals the distribution of distinctive chemical compositions throughout an intact biological or materials sample. The method combines mid-infrared absorption contrast with computed tomographic data acquisition and reconstruction to enhance chemical...

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.

Potential role of the nitroacidium ion on HONO emissions from the snowpack.

PubMed

Hellebust, Stig; Roddis, Tristan; Sodeau, John R

2007-02-22

The effects of photolysis on frozen, thin films of water-ice containing nitrogen dioxide (as its dimer dinitrogen tetroxide) have been investigated using a combination of Fourier transform reflection-absorption infrared (FT-RAIR) spectroscopy and mass spectrometry. The release of HONO is ascribed to a mechanism in which nitrosonium nitrate (NO+NO3-) is formed. Subsequent solvation of the cation leads to the nitroacidium ion, H2ONO+, i.e., protonated nitrous acid. The pathway proposed explains why the field measurement of HONO at different polar sites is often contradictory.

Noninvasive Study of Explosive Materials by Time Domain Spectroscopy and FTIR

NASA Astrophysics Data System (ADS)

Huang, Feng; Federici, John; Gary, Dale; Barat, Robert; Zimdars, David

2005-04-01

Transmission and reflection spectroscopy in the Terahertz (THz) range (˜ 3 to 0.1 mm) is potentially useful for the detection of explosives and biological agents. This paper describes the use of THz time domain spectroscopy (TDS) applied in transmission to the 1,3,5 trinitro-s-triazine (RDX), C4, Amonium Nitrate, etc. Samples were also subjected to Fourier Transform Infrared (FTIR) spectroscopy over the same range for comparison. General agreement confirms the absorption features found. The nature of THz technology applied in the noninvasive detection of such material is discussed.

Reflection and Transmission Coefficient of Yttrium Iron Garnet Filled Polyvinylidene Fluoride Composite Using Rectangular Waveguide at Microwave Frequencies

PubMed Central

Soleimani, Hassan; Abbas, Zulkifly; Yahya, Noorhana; Shameli, Kamyar; Soleimani, Hojjatollah; Shabanzadeh, Parvaneh

2012-01-01

The sol-gel method was carried out to synthesize nanosized Yttrium Iron Garnet (YIG). The nanomaterials with ferrite structure were heat-treated at different temperatures from 500 to 1000 °C. The phase identification, morphology and functional groups of the prepared samples were characterized by powder X-ray diffraction (PXRD), scanning electron microscopy (SEM) and Fourier transform infrared spectroscopy (FT-IR), respectively. The YIG ferrite nanopowder was composited with polyvinylidene fluoride (PVDF) by a solution casting method. The magnitudes of reflection and transmission coefficients of PVDF/YIG containing 6, 10 and 13% YIG, respectively, were measured using rectangular waveguide in conjunction with a microwave vector network analyzer (VNA) in X-band frequencies. The results indicate that the presence of YIG in polymer composites causes an increase in reflection coefficient and decrease in transmission coefficient of the polymer. PMID:22942718

Adaptive infrared-reflecting systems inspired by cephalopods

NASA Astrophysics Data System (ADS)

Xu, Chengyi; Stiubianu, George T.; Gorodetsky, Alon A.

2018-03-01

Materials and systems that statically reflect radiation in the infrared region of the electromagnetic spectrum underpin the performance of many entrenched technologies, including building insulation, energy-conserving windows, spacecraft components, electronics shielding, container packaging, protective clothing, and camouflage platforms. The development of their adaptive variants, in which the infrared-reflecting properties dynamically change in response to external stimuli, has emerged as an important unmet scientific challenge. By drawing inspiration from cephalopod skin, we developed adaptive infrared-reflecting platforms that feature a simple actuation mechanism, low working temperature, tunable spectral range, weak angular dependence, fast response, stability to repeated cycling, amenability to patterning and multiplexing, autonomous operation, robust mechanical properties, and straightforward manufacturability. Our findings may open opportunities for infrared camouflage and other technologies that regulate infrared radiation.

Comparative evaluation of bioactivity of crystalline trypsin for drying by Fourier-transformed infrared spectroscopy.

PubMed

Otsuka, Makoto; Fukui, Yuya; Ozaki, Yukihiro

2009-03-01

The purpose of this study was to evaluate the enzymatic stability of colloidal trypsin powder during heating in a solid-state by using Fourier transform infrared (FT-IR) spectra with chemoinformatics and generalized two-dimensional (2D) correlation spectroscopy. Colloidal crystalline trypsin powders were heated using differential scanning calorimetry. The enzymatic activity of trypsin was assayed by the kinetic degradation method. Spectra of 10 calibration sample sets were recorded three times with a FT-IR spectrometer. The maximum intensity at 1634cm(-1) of FT-IR spectra and enzymatic activity of trypsin decreased as the temperature increased. The FT-IR spectra of trypsin samples were analyzed by a principal component regression analysis (PCR). A plot of the calibration data obtained was made between the actual and predicted trypsin activity based on a two-component model with gamma(2)=0.962. On the other hand, a 2D method was applied to FT-IR spectra of heat-treated trypsin. The result was consistent with that of the chemoinformetrical method. The results for deactivation of colloidal trypsin powder by heat-treatment indicated that nano-structure of crystalline trypsin changed by heating reflecting that the beta-sheet was mainly transformed, since the peak at 1634cm(-1) decreased with dehydration. The FT-IR chemoinformetrical method allows for a solid-state quantitative analysis of the bioactivity of the bulk powder of trypsin during drying.

Infrared study of the absorption edge of {beta}-InN films grown on GaN/MgO structures

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

Perez-Caro, M.; Rodriguez, A. G.; Vidal, M. A.

2010-07-15

Infrared optical studies were carried out in a group of cubic InN samples grown by gas source molecular beam epitaxy on MgO (001) substrates. Room temperature (RT) reflectance and low-temperature (LT) transmittance measurements were performed by using fast Fourier transform infrared spectrometry. Reflectance fittings allowed to establish that {beta}-InN films have large free-carrier concentrations present (>10{sup 19} cm{sup -3}), a result that is corroborated by Hall effect measurements. Each sample explored exhibited a different optical absorption edge. The Varshni parameters that describe adequately the optical absorption edge responses with temperature are obtained for the set of samples studied. The observedmore » temperatures changes, from LT to RT, are the lowest reported for III-V semiconductor binary compounds. The temperature coefficient of the conduction band depends on the strength of the electron-phonon interaction (e-ph-i), as well as on the thermal expansion. It has been predicted that cubic InN has one of the smallest e-ph-i of all III-V compounds, which is corroborated by these results. The variation in values of absorption edges is clearly consistent with the Burstein-Moss and band renormalization effects, produced by high free electron concentrations. It is shown that the conduction band in {beta}-InN, analogous to wurtzite InN, follows a nonparabolic behavior.« less

Infrared study of the absorption edge of β-InN films grown on GaN/MgO structures

NASA Astrophysics Data System (ADS)

Pérez-Caro, M.; Rodríguez, A. G.; Vidal, M. A.; Navarro-Contreras, H.

2010-07-01

Infrared optical studies were carried out in a group of cubic InN samples grown by gas source molecular beam epitaxy on MgO (001) substrates. Room temperature (RT) reflectance and low-temperature (LT) transmittance measurements were performed by using fast Fourier transform infrared spectrometry. Reflectance fittings allowed to establish that β-InN films have large free-carrier concentrations present (>1019 cm-3), a result that is corroborated by Hall effect measurements. Each sample explored exhibited a different optical absorption edge. The Varshni parameters that describe adequately the optical absorption edge responses with temperature are obtained for the set of samples studied. The observed temperatures changes, from LT to RT, are the lowest reported for III-V semiconductor binary compounds. The temperature coefficient of the conduction band depends on the strength of the electron-phonon interaction (e-ph-i), as well as on the thermal expansion. It has been predicted that cubic InN has one of the smallest e-ph-i of all III-V compounds, which is corroborated by these results. The variation in values of absorption edges is clearly consistent with the Burstein-Moss and band renormalization effects, produced by high free electron concentrations. It is shown that the conduction band in β-InN, analogous to wurtzite InN, follows a nonparabolic behavior.

Electromagnetic Attenuation Characteristics of Microbial Materials in the Infrared Band.

PubMed

Wang, Peng; Liu, Hongxia; Zhao, Yizheng; Gu, Youlin; Chen, Wei; Wang, Li; Li, Le; Zhao, Xinying; Lei, Wuhu; Hu, Yihua; Zheng, Zhiming

2016-09-01

In this study, seven microbial materials (entomogenous fungi Bb3088 mycelia, entomogenous fungi Bb3088 spores, entomogenous fungi Ma2677 mycelia, entomogenous fungi Ma2677 spores, Bacillus subtilis 8204, Staphylococcus aureus 6725, and Saccharomyces cerevisiae 1025) were used to measure electromagnetic (EM) signal extinction. They were subjected to light absorption and reflection measurements in the range of 4000-400 cm(-1) (2.5-25 µm) using Fourier transform infrared spectroscopy. The specular reflection spectrum method was used to calculate the real (n) and imaginary (k) parts of the complex refractive index. The complex refractive index with real part n and imaginary part k in the infrared band satisfies the following conditions n ≥ 1 and k ≥ 0. The mass extinction coefficient was calculated based on Mie theory. Entomogenous fungi Ma2677 spores and entomogenous fungi Bb3088 spores were selected as EM signal extinction materials in the smoke box test. The transmittances of entomogenous fungi Bb3088 spores and entomogenous fungi Ma2677 spores were 11.63% and 5.42%, and the mass extinction coefficients were 1.8337 m(2)/g and 1.227 m(2)/g. These results showed that entomogenous fungi Bb3088 spores and entomogenous fungi Ma2677 spores have higher extinction characteristics than other microbial materials. © The Author(s) 2016.

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.

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",…

Low thermal emissivity surfaces using AgNW thin films

NASA Astrophysics Data System (ADS)

Pantoja, Elisa; Bhatt, Rajendra; Liu, Anping; Gupta, Mool C.

2017-12-01

The properties of silver nanowire (AgNW) films in the optical and infrared spectral regime offer an interesting opportunity for a broad range of applications that require low-emissivity coatings. This work reports a method to reduce the thermal emissivity of substrates by the formation of low-emissivity AgNW coating films from solution. The spectral emissivity was characterized by thermal imaging with an FLIR camera, followed by Fourier transform infrared spectroscopy. In a combined experimental and simulation study, we provide fundamental data of the transmittance, reflectance, haze, and emissivity of AgNW thin films. Emissivity values were finely tuned by modifying the concentration of the metal nanowires in the films. The simulation models based on the transfer matrix method developed for the AgNW thin films provided optical values that show a good agreement with the measurements.

Vacuum variable-angle far-infrared ellipsometer

NASA Astrophysics Data System (ADS)

Friš, Pavel; Dubroka, Adam

2017-11-01

We present the design and performance of a vacuum far-infrared (∼50-680 cm-1) ellipsometer with a rotating analyser. The system is based on a Fourier transform spectrometer, an in-house built ellipsometer chamber and a closed-cycle bolometer. The ellipsometer chamber is equipped with a computer controlled θ-2θ goniometer for automated measurements at various angles of incidence. We compare our measurements on SrTiO3 crystal with the results acquired above 300 cm-1 with a commercially available ellipsometer system. After the calibration of the angle of incidence and after taking into account the finite reflectivity of mirrors in the detector part we obtain a very good agreement between the data from the two instruments. The system can be supplemented with a closed-cycle He cryostat for measurements between 5 and 400 K.

Infrared Spectroscopy of Pollen Identifies Plant Species and Genus as Well as Environmental Conditions

PubMed Central

Zimmermann, Boris; Kohler, Achim

2014-01-01

Background It is imperative to have reliable and timely methodologies for analysis and monitoring of seed plants in order to determine climate-related plant processes. Moreover, impact of environment on plant fitness is predominantly based on studies of female functions, while the contribution of male gametophytes is mostly ignored due to missing data on pollen quality. We explored the use of infrared spectroscopy of pollen for an inexpensive and rapid characterization of plants. Methodology The study was based on measurement of pollen samples by two Fourier transform infrared techniques: single reflectance attenuated total reflectance and transmission measurement of sample pellets. The experimental set, with a total of 813 samples, included five pollination seasons and 300 different plant species belonging to all principal spermatophyte clades (conifers, monocotyledons, eudicots, and magnoliids). Results The spectroscopic-based methodology enables detection of phylogenetic variations, including the separation of confamiliar and congeneric species. Furthermore, the methodology enables measurement of phenotypic plasticity by the detection of inter-annual variations within the populations. The spectral differences related to environment and taxonomy are interpreted biochemically, specifically variations of pollen lipids, proteins, carbohydrates, and sporopollenins. The study shows large variations of absolute content of nutrients for congenital species pollinating in the same environmental conditions. Moreover, clear correlation between carbohydrate-to-protein ratio and pollination strategy has been detected. Infrared spectral database with respect to biochemical variation among the range of species, climate and biogeography will significantly improve comprehension of plant-environment interactions, including impact of global climate change on plant communities. PMID:24748390

Characterizing Aeroallergens by Infrared Spectroscopy of Fungal Spores and Pollen

PubMed Central

Zimmermann, Boris; Tkalčec, Zdenko; Mešić, Armin; Kohler, Achim

2015-01-01

Background Fungal spores and plant pollen cause respiratory diseases in susceptible individuals, such as asthma, allergic rhinitis and hypersensitivity pneumonitis. Aeroallergen monitoring networks are an important part of treatment strategies, but unfortunately traditional analysis is time consuming and expensive. We have explored the use of infrared spectroscopy of pollen and spores for an inexpensive and rapid characterization of aeroallergens. Methodology The study is based on measurement of spore and pollen samples by single reflectance attenuated total reflectance Fourier transform infrared spectroscopy (SR-ATR FTIR). The experimental set includes 71 spore (Basidiomycota) and 121 pollen (Pinales, Fagales and Poales) samples. Along with fresh basidiospores, the study has been conducted on the archived samples collected within the last 50 years. Results The spectroscopic-based methodology enables clear spectral differentiation between pollen and spores, as well as the separation of confamiliar and congeneric species. In addition, the analysis of the scattering signals inherent in the infrared spectra indicates that the FTIR methodology offers indirect estimation of morphology of pollen and spores. The analysis of fresh and archived spores shows that chemical composition of spores is well preserved even after decades of storage, including the characteristic taxonomy-related signals. Therefore, biochemical analysis of fungal spores by FTIR could provide economical, reliable and timely methodologies for improving fungal taxonomy, as well as for fungal identification and monitoring. This proof of principle study shows the potential for using FTIR as a rapid tool in aeroallergen studies. In addition, the presented method is ready to be immediately implemented in biological and ecological studies for direct measurement of pollen and spores from flowers and sporocarps. PMID:25867755

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...

On the prediction of threshold friction velocity of wind erosion using soil reflectance spectroscopy

USGS Publications Warehouse

Li, Junran; Flagg, Cody B.; Okin, Gregory S.; Painter, Thomas H.; Dintwe, Kebonye; Belnap, Jayne

2015-01-01

Current approaches to estimate threshold friction velocity (TFV) of soil particle movement, including both experimental and empirical methods, suffer from various disadvantages, and they are particularly not effective to estimate TFVs at regional to global scales. Reflectance spectroscopy has been widely used to obtain TFV-related soil properties (e.g., moisture, texture, crust, etc.), however, no studies have attempted to directly relate soil TFV to their spectral reflectance. The objective of this study was to investigate the relationship between soil TFV and soil reflectance in the visible and near infrared (VIS–NIR, 350–2500 nm) spectral region, and to identify the best range of wavelengths or combinations of wavelengths to predict TFV. Threshold friction velocity of 31 soils, along with their reflectance spectra and texture were measured in the Mojave Desert, California and Moab, Utah. A correlation analysis between TFV and soil reflectance identified a number of isolated, narrow spectral domains that largely fell into two spectral regions, the VIS area (400–700 nm) and the short-wavelength infrared (SWIR) area (1100–2500 nm). A partial least squares regression analysis (PLSR) confirmed the significant bands that were identified by correlation analysis. The PLSR further identified the strong relationship between the first-difference transformation and TFV at several narrow regions around 1400, 1900, and 2200 nm. The use of PLSR allowed us to identify a total of 17 key wavelengths in the investigated spectrum range, which may be used as the optimal spectral settings for estimating TFV in the laboratory and field, or mapping of TFV using airborne/satellite sensors.

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.

Fourier Transform Infrared Absorption Spectroscopy of Gas-Phase and Surface Reaction Products during Si Etching in Inductively Coupled Cl2 Plasmas

NASA Astrophysics Data System (ADS)

Miyata, Hiroki; Tsuda, Hirotaka; Fukushima, Daisuke; Takao, Yoshinori; Eriguchi, Koji; Ono, Kouichi

2011-10-01

A better understanding of plasma-surface interactions is indispensable during etching, including the behavior of reaction or etch products, because the products on surfaces and in the plasma are important in passivation layer formation through their redeposition on surfaces. In practice, the nanometer-scale control of plasma etching would still rely largely on such passivation layer formation as well as ion-enhanced etching on feature surfaces. This paper presents in situ Fourier transform infrared (FTIR) absorption spectroscopy of gas-phase and surface reaction products during inductively coupled plasma (ICP) etching of Si in Cl2. The observation was made in the gas phase by transmission absorption spectroscopy (TAS), and also on the substrate surface by reflection absorption spectroscopy (RAS). The quantum chemical calculation was also made of the vibrational frequency of silicon chloride molecules. The deconvolution of the TAS spectrum revealed absorption features of Si2Cl6 and SiClx (x = 1-3) as well as SiCl4, while that of the RAS spectrum revealed relatively increased absorption features of unsaturated silicon chlorides. A different behavior was also observed in bias power dependence between the TAS and RAS spectra.

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.

Built-in hyperspectral camera for smartphone in visible, near-infrared and middle-infrared lights region (second report): sensitivity improvement of Fourier-spectroscopic imaging to detect diffuse reflection lights from internal human tissues for healthcare sensors

NASA Astrophysics Data System (ADS)

Kawashima, Natsumi; Hosono, Satsuki; Ishimaru, Ichiro

2016-05-01

We proposed the snapshot-type Fourier spectroscopic imaging for smartphone that was mentioned in 1st. report in this conference. For spectroscopic components analysis, such as non-invasive blood glucose sensors, the diffuse reflection lights from internal human skins are very weak for conventional hyperspectral cameras, such as AOTF (Acousto-Optic Tunable Filter) type. Furthermore, it is well known that the spectral absorption of mid-infrared lights or Raman spectroscopy especially in long wavelength region is effective to distinguish specific biomedical components quantitatively, such as glucose concentration. But the main issue was that photon energies of middle infrared lights and light intensities of Raman scattering are extremely weak. For improving sensitivity of our spectroscopic imager, the wide-field-stop & beam-expansion method was proposed. Our line spectroscopic imager introduced a single slit for field stop on the conjugate objective plane. Obviously to increase detected light intensities, the wider slit width of the field stop makes light intensities higher, regardless of deterioration of spatial resolutions. Because our method is based on wavefront-division interferometry, it becomes problems that the wider width of single slit makes the diffraction angle narrower. This means that the narrower diameter of collimated objective beams deteriorates visibilities of interferograms. By installing the relative inclined phaseshifter onto optical Fourier transform plane of infinity corrected optical systems, the collimated half flux of objective beams derived from single-bright points on objective surface penetrate through the wedge prism and the cuboid glass respectively. These two beams interfere each other and form the infererogram as spatial fringe patterns. Thus, we installed concave-cylindrical lens between the wider slit and objective lens as a beam expander. We successfully obtained the spectroscopic characters of hemoglobin from reflected lights from human fingers.

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...

Potential Second-Harmonic Ghost Bands in Fourier Transform Infrared (FT-IR) Difference Spectroscopy of Proteins.

PubMed

Ito, Shota; Kandori, Hideki; Lorenz-Fonfria, Victor A

2018-06-01

Fourier transform infrared (FT-IR) difference absorption spectroscopy is a common method for studying the structural and dynamical aspects behind protein function. In particular, the 2800-1800 cm -1 spectral range has been used to obtain information about internal (deuterated) water molecules, as well as site-specific details about cysteine residues and chemically modified and artificial amino acids. Here, we report on the presence of ghost bands in cryogenic light-induced FT-IR difference spectra of the protein bacteriorhodopsin. The presence of these ghost bands can be particularly problematic in the 2800-1900 cm -1 region, showing intensities similar to O-D vibrations from water molecules. We demonstrate that they arise from second harmonics from genuine chromophore bands located in the 1400-850 cm -1 region, generated by double-modulation artifacts caused from reflections of the IR beam at the sample and at the cryostat windows back to the interferometer (inter-reflections). The second-harmonic ghost bands can be physically removed by placing an optical filter of suitable cutoff in the beam path, but at the cost of losing part of the multiplexing advantage of FT-IR spectroscopy. We explored alternatives to the use of optical filters. Tilting the cryostat windows was effective in reducing the intensity of the second harmonic artifacts but tilting the sample windows was not, presumably by their close proximity to the focal point of the IR beam. We also introduce a simple numerical post-processing approach that can partially, but not fully, correct for second-harmonic ghost bands in FT-IR difference spectra.

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

Compression-cuticle relationship of seed ferns: Insights from liquid-solid states FTIR (Late Palaeozoic-Early Mesozoic, Canada-Spain-Argentina)

USGS Publications Warehouse

Zodrow, E.L.; D'Angelo, J. A.; Mastalerz, Maria; Keefe, D.

2009-01-01

Cuticles have been macerated from suitably preserved compressed fossil foliage by Schulze's process for the past 150 years, whereas the physical-biochemical relationship between the "coalified layer" with preserved cuticle as a unit has hardly been investigated, although they provide complementary information. This relationship is conceptualized by an analogue model of the anatomy of an extant leaf: "vitrinite (mesophyll) + cuticle (biomacropolymer) = compression". Alkaline solutions from Schulze's process as a proxy for the vitrinite, are studied by means of liquid-solid states Fourier transform infrared spectroscopy (FTIR). In addition, cuticle-free coalified layers and fossilized cuticles of seed ferns mainly from Canada, Spain and Argentina of Late Pennsylvanian-Late Triassic age are included in the study sample. Infrared data of cuticle and alkaline solutions differ which is primarily contingent on the mesophyll +biomacropolymer characteristics. The compression records two pathways of organic matter transformation. One is the vitrinized component that reflects the diagenetic-post-diagenetic coalification history parallel with the evolution of the associated coal seam. The other is the cuticle that reflects the sum-total of evolutionary pathway of the biomacropolymer, its monomeric, or polymeric fragmentation, though factors promoting preservation include entombing clay minerals and lower pH conditions. Caution is advised when interpreting liquid-state-based FTIR data, as some IR signals may have resulted from the interaction of Schulze's process with the cuticular biochemistry. A biochemical-study course for taphonomy is suggested, as fossilized cuticles, cuticle-free coalified layers, and compressions are responses to shared physicogeochemical factors. ?? 2009 Elsevier B.V. All rights reserved.

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.

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.

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.

Capabilities and limitations of handheld Diffuse Reflectance Infrared Fourier Transform Spectroscopy (DRIFTS) for the analysis of colourants and binders in 20th-century reverse paintings on glass.

PubMed

Steger, Simon; Stege, Heike; Bretz, Simone; Hahn, Oliver

2018-04-15

A non-invasive method has been carried out to show the capabilities and limitations of Diffuse Reflectance Infrared Fourier Transform Spectroscopy (DRIFTS) for identifying of colourants and binders in modern reverse glass paintings. For this purpose, the reverse glass paintings "Zwei Frauen am Tisch" (1920-22), "Bäume" (1946) (both by Heinrich Campendonk), "Lofoten" (1933) (Edith Campendonk-van Leckwyck) and "Ohne Titel" (1954) (Marianne Uhlenhuth), were measured. In contrast to other techniques (e.g. panel and mural painting), the paint layers are applied in reverse succession. In multi-layered paint systems, the front paint layer may no longer be accessible. The work points out the different spectral appearance of a given substance (gypsum, basic lead white) in reverse glass paintings. However, inverted bands, band overlapping and derivative-shaped spectral features can be interpreted by comparing the spectra from the paintings with spectra from pure powders and pigment/linseed oil mock-ups. Moreover, the work focuses on this method's capabilities in identifying synthetic organic pigments (SOP). Reference spectra of three common SOP (PG7, PY1, PR83) were obtained from powders and historical colour charts. We identified PR83 and PY1 in two reverse glass paintings, using the measured reference spectra. The recorded DRIFTS spectra of pure linseed oil, gum Arabic, mastic, polyvinyl acetate resin and bees wax can be used to classify the binding media of the measured paintings. Copyright © 2018 Elsevier B.V. All rights reserved.

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.

In Situ Monitoring and Modeling of the Solution-Mediated Polymorphic Transformation of Rifampicin: From Form II to Form I.

PubMed

Guo, Nannan; Hou, Baohong; Wang, Na; Xiao, Yan; Huang, Jingjing; Guo, Yanmei; Zong, Shuyi; Hao, Hongxun

2018-01-01

In this article, the solution-mediated polymorphic transformation of rifampicin was investigated and simulated in 3 solvents at 30°C. The solid-state form I and form II of rifampicin was characterized by powder X-ray diffraction, scanning electron microscopy, thermogravimetric analysis, Raman spectroscopy, and Fourier transform infrared spectroscopy (FTIR). To explore the relative stability, solubility data of form I and form II of rifampicin in butan-1-ol were determined using a dynamical method. In addition, Raman spectroscopy and focused beam reflectance measurement were used to in situ monitor the transformation of rifampicin from form II to form I. The liquid state concentration of rifampicin was measured by UV spectroscopic method. To investigate the effect of solvent on transformation, the transformation experiments were carried out in 3 solvents. Furthermore, a mathematical model was built to describe the kinetics of dissolution, nucleation, and growth processes during transformation by using experimental data. By combination of experimental and simulation results, it was found that the transformation process of rifampicin is controlled by dissolution of form II in heptane, whereas the transformation in hexane and octane was firstly controlled by dissolution of solid-state form and then controlled by growth of form I. Copyright © 2018 American Pharmacists Association®. Published by Elsevier Inc. All rights reserved.

Near-Infrared Confocal Laser Reflectance Cytoarchitectural Imaging of the Substantia Nigra and Cerebellum in the Fresh Human Cadaver.

PubMed

Cheyuo, Cletus; Grand, Walter; Balos, Lucia L

2017-01-01

Cytoarchitectural neuroimaging remains critical for diagnosis of many brain diseases. Fluorescent dye-enhanced, near-infrared confocal in situ cellular imaging of the brain has been reported. However, impermeability of the blood-brain barrier to most fluorescent dyes limits clinical utility of this modality. The differential degree of reflectance from brain tissue with unenhanced near-infrared imaging may represent an alternative technique for in situ cytoarchitectural neuroimaging. We assessed the utility of unenhanced near-infrared confocal laser reflectance imaging of the cytoarchitecture of the cerebellum and substantia nigra in 2 fresh human cadaver brains using a confocal near-infrared laser probe. Cellular images based on near-infrared differential reflectance were captured at depths of 20-180 μm from the brain surface. Parts of the cerebellum and substantia nigra imaged using the probe were subsequently excised and stained with hematoxylin and eosin for histologic correlation. Near-infrared reflectance imaging revealed the 3-layered cytoarchitecture of the cerebellum, with Purkinje cells appearing hyperreflectant. In the substantia nigra, neurons appeared hyporeflectant with hyperreflectant neuromelanin cytoplasmic inclusions. Cytoarchitecture of the cerebellum and substantia nigra revealed on near-infrared imaging closely correlated with the histology on hematoxylin-eosin staining. We showed that unenhanced near-infrared reflectance imaging of fresh human cadaver brain can reliably identify and distinguish neurons and detailed cytoarchitecture of the cerebellum and substantia nigra. Copyright © 2016 Elsevier Inc. All rights reserved.

The Effect of Pressure and Temperature on Mid-Infrared Sensing of Dissolved Hydrocarbons in Water.

PubMed

Heath, Charles; Myers, Matthew; Pejcic, Bobby

2017-12-19

Attenuated total reflectance Fourier transform infrared (ATR-FTIR) spectroscopy using a polymer coated internal reflection element/waveguide is an established sensor platform for the detection of a range of organic and hydrocarbon molecules dissolved in water. The polymer coating serves two purposes: to concentrate hydrocarbons from the aqueous phase and to exclude water along with other interfering molecules from the surface of the internal reflection element. Crucial to reliable quantification and analytical performance is the calibration of the ATR-FTIR sensor which is commonly performed in water under mild ambient conditions (i.e., 25 °C and 1 atm). However, there is a pressing need to monitor environmental and industrial processes/events that may occur at high pressures and temperatures where this calibration approach is unsuitable. Using a ruggedized optical fiber probe with a diamond-based ATR, we have conducted mid-infrared sensor experiments to understand the influence of high pressure (up to 207 bar) and temperature (up to 80 °C) on the detection of toluene and naphthalene dissolved in water. Using a poly(isobutylene) film, we have shown that the IR spectroscopic response is relatively unaffected by changes in pressure; however, a diminished response was observed with increasing temperature. We reveal that changes in the refractive index of the polymer film with temperature have only a minor effect on sensitivity. A more plausible explanation for the observed significant change in sensor response with temperature is that the partitioning process is exothermic and becomes less favorable with increasing temperature. This Article shows that the sensitivity is relatively invariant to pressure; however, the thermal variations are significant and need to be considered when quantifying the concentration of hydrocarbons in water.

Survey of Material for an Infrared-Opaque Coating

NASA Technical Reports Server (NTRS)

Smith, Sheldon M.; Howitt, Richard V.

1986-01-01

More than 40 reflectance spectra in the range from 20 to 500 microns have been obtained for a variety of coatings, binders, and additives to identify promising components of an infrared-opaque coating for the Space Infrared Telescope Facility. Certain combinations of materials showed a specular reflectance below 0.1 throughout the spectral range measured. In addition to estimating the optical constants of several combination coatings, this survey also supports three qualitative conclusions: (1) promising off-the-shelf binders of different additives are Chemglaze Z-306, ECP-2200, and De Soto Black; (2) carbon black is very effective in reducing far-infrared reflectance; (3) the far-infrared reflectance from coatings containing 80 SiC grit is consistently lower than that from similar coatings containing TiBr powder.

Survey of material for an infrared-opaque coating

NASA Technical Reports Server (NTRS)

Smith, Sheldon M.; Howitt, Richard V.

1986-01-01

More than 40 reflectance spectra in the range from 20 to 500 microns have been obtained of a variety of coatings, binders, and additives to identify promising components of an infrared-opaque coating for the Space Infrared Telescope Facility. Certain combinations of materials showed a specular reflectance below 0.1 throughout the spectral range measured. In addition to estimating the optical constants of several combination coatings, this survey also supports three qualitative conclusions: (1) promising 'off-the-shelf' binders of different additives are Chemglaze Z-306, ECP-2200, and De Soto Black; (2) carbon black is very effective reducing far-infrared reflectance; and (3) the far-infrared reflectance from coatings containing 80 SiC grit is consistently lower than that from similar coatings containing TlBr powder.

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.

Analysis of multiple soybean phytonutrients by near-infrared reflectance spectroscopy.

PubMed

Zhang, Gaoyang; Li, Penghui; Zhang, Wenfei; Zhao, Jian

2017-05-01

Improvement of the nutritional quality of soybean is usually facilitated by a vast range of soybean germplasm with enough information about their multiple phytonutrients. In order to acquire this essential information from a huge number of soybean samples, a rapid analytic method is urgently required. Here, a nondestructive near-infrared reflectance spectroscopy (NIRS) method was developed for rapid and accurate measurement of 25 nutritional components in soybean simultaneously, including fatty acids palmitic acid, stearic acid, oleic acid, linoleic acid, and linolenic acid, vitamin E (VE), α-VE, γ-VE, δ-VE, saponins, isoflavonoids, and flavonoids. Modified partial least squares regression and first, second, third, and fourth derivative transformation was applied for the model development. The 1 minus variance ratio (1-VR) value of the optimal model can reach between the highest 0.95 and lowest 0.64. The predicted values of phytonutrients in soybean using NIRS technology are comparable to those obtained from using the traditional spectrum or chemical methods. A robust NIRS can be adopted as a reliable method to evaluate complex plant constituents for screening large-scale samples of soybean germplasm resources or genetic populations for improvement of nutritional qualities. Graphical Abstract ᅟ.

Hydrophobic surface modification of TiO2 nanoparticles for production of acrylonitrile-styrene-acrylate terpolymer/TiO2 composited cool materials

NASA Astrophysics Data System (ADS)

Qi, Yanli; Xiang, Bo; Tan, Wubin; Zhang, Jun

2017-10-01

Hydrophobic surface modification of TiO2 was conducted for production of acrylonitrile-styrene-acrylate (ASA) terpolymer/titanium dioxide (TiO2) composited cool materials. Different amount of 3-methacryloxypropyl-trimethoxysilane (MPS) was employed to change hydrophilic surface of TiO2 into hydrophobic surface. The hydrophobic organosilane chains were successfully grafted onto TiO2 through Sisbnd Osbnd Ti bonds, which were verified by Fourier transformed infrared spectra and X-ray photoelectron spectroscopy. The water contact angle of the sample added with TiO2 modified by 5 wt% MPS increased from 86° to 113°. Besides, all the ASA/TiO2 composites showed significant improvement in both solar reflectance and cooling property. The reflectance of the composites throughout the near infrared (NIR) region and the whole solar wavelength is increased by 113.92% and 43.35% compared with pristine ASA resin. Simultaneously, significant drop in temperature demonstrates excellent cooling property. A maximum decrease approach to 27 °C was observed in indoor temperature test, while a decrease around 9 °C tested outdoors is achieved.

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

Synchrotron-based multiple-beam FTIR chemical imaging of a multi-layered polymer in transmission and reflection: towards cultural heritage applications

NASA Astrophysics Data System (ADS)

Unger, Miriam; Mattson, Eric; Schmidt Patterson, Catherine; Alavi, Zahrasadet; Carson, David; Hirschmugl, Carol J.

2013-04-01

IRENI (infrared environmental imaging) is a recently commissioned Fourier transform infrared (FTIR) chemical imaging beamline at the Synchrotron Radiation Center in Madison, WI, USA. This novel beamline extracts 320 mrad of radiation, horizontally, from one bending magnet. The optical transport separates and recombines the beam into 12 parallel collimated beams to illuminate a commercial FTIR microspectrometer (Bruker Hyperion 3000) equipped with a focal plane array detector where single pixels in the detector image a projected sample area of either 0.54×0.54 μm2 or 2×2 μm2, depending in the measurement geometry. The 12 beams are partially overlapped and defocused, similar to wide-field microscopy, homogeneously illuminating a relatively large sample area compared to single-beam arrangements. Both transmission and reflection geometries are used to examine a model cross section from a layered polymer material. The compromises for sample preparation and measurement strategies are discussed, and the chemical composition and spatial definition of the layers are distinguished in chemical images generated from data sets. Deconvolution methods that may allow more detailed data analysis are also discussed.

Polypeptides Based Molecular Electronics

DTIC Science & Technology

2008-10-06

average of 0.82 nm, corresponding to the theoretical height of a MPTMS monolayer of 0.87nm. Fourier Transform Infrared Spectroscopy (FTIR) spectrum of 3... Infrared Spectroscopy (FTIR) of 3-Mercaptopropyl trimethoxysilane (MPTMS) layer on Si wafer Figure 23a. Topographical image of peptide on MPTMS...transform infrared spectroscopy . Peptide with COOH group is proven to attach to Aminopropyltrimethoxysilane (APTES) functionalized silicon substrate

Research on optical reflectance and infrared emissivity of TiNx films depending on sputtering pressure

NASA Astrophysics Data System (ADS)

Lu, Linlin; Luo, Fa; Huang, Zhibin; Zhou, Wancheng; Zhu, Dongmei

2018-06-01

TiNx thin films were deposited on glass substrates using direct current reactive magnetron sputtering, and effects of sputtering pressure on optical reflectance and infrared emissivity of TiNx films were studied. The results indicated that sputtering pressure was a key factor to affect the optical reflectance and infrared emissivity of TiNx films in this study. When sputtering pressure varied from 0.3 Pa to 1.2 Pa, an average reflectance of less than 25% in the visible range was obtained for the prepared films. With the working pressure rise, the resistivity of TiNx films went up. Meanwhile, the infrared emissivity of the films increased. As sputtering pressure was 0.3 Pa, the infrared emissivity in the wavelength of 3-5 and 8-14 μm of TiNx film with dark color and low optical reflectance was less than 0.2.

Numerical simulation of reflective infrared absorber based on metal and dielectric nanorings

NASA Astrophysics Data System (ADS)

Wei, Dong; Zhang, Guizhong; Ding, Xin; Yao, Jianquan

2018-04-01

We propose a subwavelength micro-structure of /metal-ring/dielectric-ring/metal-substrate/ for infrared absorber, and numerically simulate its spectral reflectance in the infrared regime. Besides its pragmatic fabrication, this nanoring structure is characterized by excellent infrared reflectance, angle and polarization insensitivities and large tunability. Based upon the nanoring structure, a multilayered nanoring structure is demonstrated to be able to further tune the resonance wavelength. We also use an area-corrected plasmon polariton model to decipher the resonance wavelengths.

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.

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).

Infrared spectroscopy in biomedical diagnostics

NASA Astrophysics Data System (ADS)

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

1998-01-01

Fiberoptic 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 the 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 amino acid residuals, phosphate groups and sugars. Computer monitoring is being developed for diagnostics.

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.

FT-IR standoff detection of thermally excited emissions of trinitrotoluene (TNT) deposited on aluminum substrates.

PubMed

Castro-Suarez, John R; Pacheco-Londoño, Leonardo C; Vélez-Reyes, Miguel; Diem, Max; Tague, Thomas J; Hernandez-Rivera, Samuel P

2013-02-01

A standoff detection system was assembled by coupling a reflecting telescope to a Fourier transform infrared spectrometer equipped with a cryo-cooled mercury cadmium telluride detector and used for detection of solid-phase samples deposited on substrates. Samples of highly energetic materials were deposited on aluminum substrates and detected at several collector-target distances by performing passive-mode, remote, infrared detection measurements on the heated analytes. Aluminum plates were used as support material, and 2,4,6-Trinitrotoluene (TNT) was used as the target. For standoff detection experiments, the samples were placed at different distances (4 to 55 m). Several target surface temperatures were investigated. Partial least squares regression analysis was applied to the analysis of the intensities of the spectra obtained. Overall, standoff detection in passive mode was useful for quantifying TNT deposited on the aluminum plates with high confidence up to target-collector distances of 55 m.

Raman and infrared spectroscopic investigations of a ferroelastic phase transition in B a2ZnTe O6 double perovskite

NASA Astrophysics Data System (ADS)

Moreira, Roberto L.; Lobo, Ricardo P. S. M.; Ramos, Sérgio L. L. M.; Sebastian, Mailadil T.; Matinaga, Franklin M.; Righi, Ariete; Dias, Anderson

2018-05-01

The low-temperature vibrational properties of B a2ZnTe O6 double-perovskite ceramics obtained by the solid-state route were investigated by Raman scattering and Fourier-transform infrared reflectivity. We found that this material undergoes a reversible ferroelastic phase transition at around 140 K, well compatible with a recently proposed rhombohedral-to-monoclinic structural change that would occur below 165 K. Complementary calorimetric measurements showed that the phase transition has a first-order character, with an entropy jump compatible with a displacive mechanism. The vibrational spectra show clearly the splitting of the doubly degenerate E modes into nondegenerate representations of the low-symmetry phase. In particular, the lowest-frequency Raman mode presents soft-mode behavior and splits below the critical temperature, confirming the in-plane ferroelastic deformation in the low-temperature phase.

Wide-field FTIR microscopy using mid-IR pulse shaping

PubMed Central

Serrano, Arnaldo L.; Ghosh, Ayanjeet; Ostrander, Joshua S.; Zanni, Martin T.

2015-01-01

We have developed a new table-top technique for collecting wide-field Fourier transform infrared (FTIR) microscopic images by combining a femtosecond pulse shaper with a mid-IR focal plane array. The pulse shaper scans the delay between a pulse pair extremely rapidly for high signal-to-noise, while also enabling phase control of the individual pulses to under-sample the interferograms and subtract background. Infrared absorption images were collected for a mixture of W(CO)6 or Mn2(CO)10 absorbed polystyrene beads, demonstrating that this technique can spatially resolve chemically distinct species. The images are sub-diffraction limited, as measured with a USAF test target patterned on CaF2 and verified with scalar wave simulations. We also find that refractive, rather than reflective, objectives are preferable for imaging with coherent radiation. We discuss this method with respect to conventional FTIR microscopes. PMID:26191843

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.

Infrared spectral marker bands characterizing a transient water wire inside a hydrophobic membrane protein.

PubMed

Wolf, Steffen; Freier, Erik; Cui, Qiang; Gerwert, Klaus

2014-12-14

Proton conduction along protein-bound "water wires" is an essential feature in membrane proteins. Here, we analyze in detail a transient water wire, which conducts protons via a hydrophobic barrier within a membrane protein to create a proton gradient. It is formed only for a millisecond out of three water molecules distributed at inactive positions in a polar environment in the ground state. The movement into a hydrophobic environment causes characteristic shifts of the water bands reflecting their different chemical properties. These band shifts are identified by time-resolved Fourier Transform Infrared difference spectroscopy and analyzed by biomolecular Quantum Mechanical/Molecular Mechanical simulations. A non-hydrogen bonded ("dangling") O-H stretching vibration band and a broad continuum absorbance caused by a combined vibration along the water wire are identified as characteristic marker bands of such water wires in a hydrophobic environment. The results provide a basic understanding of water wires in hydrophobic environments.

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.

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.

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

Srinivasan, Arvind; Czapla, Braden; Narayanaswamy, Arvind, E-mail: arvind.narayanaswamy@columbia.edu

The complex refractive index of polydimethylsiloxane (PDMS) is determined in the wavelength range between 2.5 μm and 16.7 μm. The parameters of a Drude-Lorentz oscillator model (with 15 oscillators) are extracted from Fourier transform infrared spectroscopy reflectance measurements made on both bulk PDMS and thin films of PDMS deposited on the gold coated silicon substrates. It is shown that thin films of PDMS atop gold exhibit selective emission in the 8 μm to 13 μm atmospheric transmittance window, which demonstrates that PDMS, especially due to its ease of deposition, may be a viable material for passive radiative cooling applications.

Absorbing metasurface created by diffractionless disordered arrays of nanoantennas

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

Chevalier, Paul; Minao, Laboratoire de Photonique et Nanostructures; Bouchon, Patrick, E-mail: patrick.bouchon@onera.fr

2015-12-21

We study disordered arrays of metal-insulator-metal nanoantenna in order to create a diffractionless metasurface able to absorb light in the 3–5 μm spectral range. This study is conducted with angle-resolved reflectivity measurements obtained with a Fourier transform infrared spectrometer. A first design is based on a perturbation of a periodic arrangement, leading to a significant reduction of the radiative losses. Then, a random assembly of nanoantennas is built following a Poisson-disk distribution of given density, in order to obtain a nearly perfect cluttered assembly with optical properties of a homogeneous material.

Fourier Transform Infrared Spectroscopy: Part II. Advantages of FT-IR.

ERIC Educational Resources Information Center

Perkins, W. D.

1987-01-01

This is Part II in a series on Fourier transform infrared spectroscopy (FT-IR). Described are various advantages of FT-IR spectroscopy including energy advantages, wavenumber accuracy, constant resolution, polarization effects, and stepping at grating changes. (RH)

[Application of near infrared reflectance spectroscopy to predict meat chemical compositions: a review].

PubMed

Tao, Lin-Li; Yang, Xiu-Juan; Deng, Jun-Ming; Zhang, Xi

2013-11-01

In contrast to conventional methods for the determination of meat chemical composition, near infrared reflectance spectroscopy enables rapid, simple, secure and simultaneous assessment of numerous meat properties. The present review focuses on the use of near infrared reflectance spectroscopy to predict meat chemical compositions. The potential of near infrared reflectance spectroscopy to predict crude protein, intramuscular fat, fatty acid, moisture, ash, myoglobin and collagen of beef, pork, chicken and lamb is reviewed. This paper discusses existing questions and reasons in the current research. According to the published results, although published results vary considerably, they suggest that near-infrared reflectance spectroscopy shows a great potential to replace the expensive and time-consuming chemical analysis of meat composition. In particular, under commercial conditions where simultaneous measurements of different chemical components are required, near infrared reflectance spectroscopy is expected to be the method of choice. The majority of studies selected feature-related wavelengths using principal components regression, developed the calibration model using partial least squares and modified partial least squares, and estimated the prediction accuracy by means of cross-validation using the same sample set previously used for the calibration. Meat fatty acid composition predicted by near-infrared spectroscopy and non-destructive prediction and visualization of chemical composition in meat using near-infrared hyperspectral imaging and multivariate regression are the hot studying field now. On the other hand, near infrared reflectance spectroscopy shows great difference for predicting different attributes of meat quality which are closely related to the selection of calibration sample set, preprocessing of near-infrared spectroscopy and modeling approach. Sample preparation also has an important effect on the reliability of NIR prediction; in particular, lack of homogeneity of the meat samples influenced the accuracy of estimation of chemical components. In general the predicting results of intramuscular fat, fatty acid and moisture are best, the predicting results of crude protein and myoglobin are better, while the predicting results of ash and collagen are less accurate.

Validation of MODIS-derived bidirectional reflectivity retrieval algorithm in mid-infrared channel with field measurements.

PubMed

Tang, Bo-Hui; Wu, Hua-; Li, Zhao-Liang; Nerry, Françoise

2012-07-30

This work addressed the validation of the MODIS-derived bidirectional reflectivity retrieval algorithm in mid-infrared (MIR) channel, proposed by Tang and Li [Int. J. Remote Sens. 29, 4907 (2008)], with ground-measured data, which were collected from a field campaign that took place in June 2004 at the ONERA (Office National d'Etudes et de Recherches Aérospatiales) center of Fauga-Mauzac, on the PIRRENE (Programme Interdisciplinaire de Recherche sur la Radiométrie en Environnement Extérieur) experiment site [Opt. Express 15, 12464 (2007)]. The leaving-surface spectral radiances measured by a BOMEM (MR250 Series) Fourier transform interferometer were used to calculate the ground brightness temperatures with the combination of the inversion of the Planck function and the spectral response functions of MODIS channels 22 and 23, and then to estimate the ground brightness temperature without the contribution of the solar direct beam and the bidirectional reflectivity by using Tang and Li's proposed algorithm. On the other hand, the simultaneously measured atmospheric profiles were used to obtain the atmospheric parameters and then to calculate the ground brightness temperature without the contribution of the solar direct beam, based on the atmospheric radiative transfer equation in the MIR region. Comparison of those two kinds of brightness temperature obtained by two different methods indicated that the Root Mean Square Error (RMSE) between the brightness temperatures estimated respectively using Tang and Li's algorithm and the atmospheric radiative transfer equation is 1.94 K. In addition, comparison of the hemispherical-directional reflectances derived by Tang and Li's algorithm with those obtained from the field measurements showed that the RMSE is 0.011, which indicates that Tang and Li's algorithm is feasible to retrieve the bidirectional reflectivity in MIR channel from MODIS data.

Space imaging infrared optical guidance for autonomous ground vehicle

NASA Astrophysics Data System (ADS)

Akiyama, Akira; Kobayashi, Nobuaki; Mutoh, Eiichiro; Kumagai, Hideo; Yamada, Hirofumi; Ishii, Hiromitsu

2008-08-01

We have developed the Space Imaging Infrared Optical Guidance for Autonomous Ground Vehicle based on the uncooled infrared camera and focusing technique to detect the objects to be evaded and to set the drive path. For this purpose we made servomotor drive system to control the focus function of the infrared camera lens. To determine the best focus position we use the auto focus image processing of Daubechies wavelet transform technique with 4 terms. From the determined best focus position we transformed it to the distance of the object. We made the aluminum frame ground vehicle to mount the auto focus infrared unit. Its size is 900mm long and 800mm wide. This vehicle mounted Ackerman front steering system and the rear motor drive system. To confirm the guidance ability of the Space Imaging Infrared Optical Guidance for Autonomous Ground Vehicle we had the experiments for the detection ability of the infrared auto focus unit to the actual car on the road and the roadside wall. As a result the auto focus image processing based on the Daubechies wavelet transform technique detects the best focus image clearly and give the depth of the object from the infrared camera unit.

Transcutaneous regional venous oximetry: a feasibility study.

PubMed

Thiele, Robert H; Tucker-Schwartz, Jason M; Lu, Yao; Gillies, George T; Durieux, Marcel E

2011-06-01

The arterial pulse oximeter, which was introduced clinically in the 1970s, is a convenient, useful, and now ubiquitous anesthesia monitor. Unfortunately, although percent saturation of arterial hemoglobin is, along with cardiac output and concentration of hemoglobin, one of 3 components of oxygen delivery, it does not indicate whether oxygen delivery to a region of interest is adequate. Knowledge of peripheral or regional venous oxygen saturation (Sxvo₂) may lend insight into analysis of regional oxygen supply and demand. Our goal was to assess the suitability of 3 anatomic sites for the transcutaneous assessment of Sxvo₂. Using a Nonin reflectance oximetry probe (provided by Nonin Medical, Plymouth, MN) placed directly over the antecubital, external jugular, and internal jugular veins in 10 volunteers, we measured the absorbance of red and infrared electromagnetic radiation. We performed fast Fourier transformation on these absorbance waveforms. The ratio of pulsatile absorbance of red and infrared radiation at different frequencies was compared with nonpulsatile absorption, and Sxvo₂ was calculated based on previously derived empiric correlations. Estimates of transcutaneous Sxvo₂ ranged from 41% to 97%, with mean values of 75%, 80%, and 80% at the antecubital, external jugular, and internal jugular veins, respectively. Overall, 93% of predicted Sxvo₂ values were < 90%. Validation and subsequent improvement of this technique requires correlation of our results with venous blood gas measurements, followed by incorporation of technologies from related fields in oximetry (fetal reflectance oximetry and near-infrared spectroscopy), as well as the development of advanced signal processing techniques.

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.

Airborne infrared-hyperspectral mapping for detection of gaseous and solid targets

NASA Astrophysics Data System (ADS)

Puckrin, E.; Turcotte, C. S.; Lahaie, P.; Dubé, D.; Farley, V.; Lagueux, P.; Marcotte, F.; Chamberland, M.

2010-04-01

Airborne hyperspectral ground mapping is being used in an ever-increasing extent for numerous applications in the military, geology and environmental fields. The different regions of the electromagnetic spectrum help produce information of differing nature. The visible, near-infrared and short-wave infrared radiation (400 nm to 2.5 μm) has been mostly used to analyze reflected solar light, while the mid-wave (3 to 5 μm) and long-wave (8 to 12 μm or thermal) infrared senses the self-emission of molecules directly, enabling the acquisition of data during night time. The Telops Hyper-Cam is a rugged and compact infrared hyperspectral imager based on the Fourier-transform technology. It has been used on the ground in several field campaigns, including the demonstration of standoff chemical agent detection. More recently, the Hyper-Cam has been integrated into an airplane to provide airborne measurement capabilities. The technology offers fine spectral resolution (up to 0.25 cm-1) and high accuracy radiometric calibration (better than 1 degree Celsius). Furthermore, the spectral resolution, spatial resolution, swath width, integration time and sensitivity are all flexible parameters that can be selected and optimized to best address the specific objectives of each mission. The system performance and a few measurements have been presented in previous publications. This paper focuses on analyzing additional measurements in which detection of fertilizer and Freon gas has been demonstrated.

A novel image enhancement algorithm based on stationary wavelet transform for infrared thermography to the de-bonding defect in solid rocket motors

NASA Astrophysics Data System (ADS)

Liu, Tao; Zhang, Wei; Yan, Shaoze

2015-10-01

In this paper, a multi-scale image enhancement algorithm based on low-passing filtering and nonlinear transformation is proposed for infrared testing image of the de-bonding defect in solid propellant rocket motors. Infrared testing images with high-level noise and low contrast are foundations for identifying defects and calculating the defects size. In order to improve quality of the infrared image, according to distribution properties of the detection image, within framework of stationary wavelet transform, the approximation coefficients at suitable decomposition level is processed by index low-passing filtering by using Fourier transform, after that, the nonlinear transformation is applied to further process the figure to improve the picture contrast. To verify validity of the algorithm, the image enhancement algorithm is applied to infrared testing pictures of two specimens with de-bonding defect. Therein, one specimen is made of a type of high-strength steel, and the other is a type of carbon fiber composite. As the result shown, in the images processed by the image enhancement algorithm presented in the paper, most of noises are eliminated, and contrast between defect areas and normal area is improved greatly; in addition, by using the binary picture of the processed figure, the continuous defect edges can be extracted, all of which show the validity of the algorithm. The paper provides a well-performing image enhancement algorithm for the infrared thermography.

Tree Canopy Characterization for EO-1 Reflective and Thermal Infrared Validation Studies: Rochester, New York

NASA Technical Reports Server (NTRS)

Ballard, Jerrell R., Jr.; Smith, James A.

2002-01-01

The tree canopy characterization presented herein provided ground and tree canopy data for different types of tree canopies in support of EO-1 reflective and thermal infrared validation studies. These characterization efforts during August and September of 2001 included stem and trunk location surveys, tree structure geometry measurements, meteorology, and leaf area index (LAI) measurements. Measurements were also collected on thermal and reflective spectral properties of leaves, tree bark, leaf litter, soil, and grass. The data presented in this report were used to generate synthetic reflective and thermal infrared scenes and images that were used for the EO-1 Validation Program. The data also were used to evaluate whether the EO-1 ALI reflective channels can be combined with the Landsat-7 ETM+ thermal infrared channel to estimate canopy temperature, and also test the effects of separating the thermal and reflective measurements in time resulting from satellite formation flying.

Cleanliness evaluation of rough surfaces with diffuse IR reflectance

NASA Technical Reports Server (NTRS)

Pearson, L. H.

1995-01-01

Contamination on bonding surfaces has been determined to be a primary cause for degraded bond strength in certain solid rocket motor bondlines. Hydrocarbon and silicone based organic contaminants that are airborne or directly introduced to a surface are a significant source of contamination. Diffuse infrared (IR) reflectance has historically been used as an effective technique for detection of organic contaminants, however, common laboratory methods involving the use of a Fourier transform IR spectrometer (FTIR) are impractical for inspecting the large bonding surface areas found on solid rocket motors. Optical methods involving the use of acousto-optic tunable filters and fixed bandpass optical filters are recommended for increased data acquisition speed. Testing and signal analysis methods are presented which provide for simultaneous measurement of contamination concentration and roughness level on rough metal surfaces contaminated with hydrocarbons.

Driving force behind adsorption-induced protein unfolding: a time-resolved X-ray reflectivity study on lysozyme adsorbed at an air/water interface.

PubMed

Yano, Yohko F; Uruga, Tomoya; Tanida, Hajime; Toyokawa, Hidenori; Terada, Yasuko; Takagaki, Masafumi; Yamada, Hironari

2009-01-06

Time-resolved X-ray reflectivity measurements for lysozyme (LSZ) adsorbed at an air/water interface were performed to study the mechanism of adsorption-induced protein unfolding. The time dependence of the density profile at the air/water interface revealed that the molecular conformation changed significantly during adsorption. Taking into account previous work using Fourier transform infrared (FTIR) spectroscopy, we propose that the LSZ molecules initially adsorbed on the air/water interface have a flat unfolded structure, forming antiparallel beta-sheets as a result of hydrophobic interactions with the gas phase. In contrast, as adsorption continues, a second layer forms in which the molecules have a very loose structure having random coils as a result of hydrophilic interactions with the hydrophilic groups that protrude from the first layer.

Ultrafast all-optical tuning of direct-gap semiconductor metasurfaces

DOE PAGES

Shcherbakov, Maxim R.; Liu, Sheng; Zubyuk, Varvara V.; ...

2017-05-12

Optical metasurfaces are regular quasi-planar nanopatterns that can apply diverse spatial and spectral transformations to light waves. But, metasurfaces are no longer adjustable after fabrication, and a critical challenge is to realise a technique of tuning their optical properties that is both fast and efficient. Here, we experimentally realise an ultrafast tunable metasurface consisting of subwavelength gallium arsenide nanoparticles supporting Mie-type resonances in the near infrared. In using transient reflectance spectroscopy, we demonstrate a picosecond-scale absolute reflectance modulation of up to 0.35 at the magnetic dipole resonance of the metasurfaces and a spectral shift of the resonance by 30 nm,more » both achieved at unprecedentedly low pump fluences of less than 400 μJ cm –2. Our findings thereby enable a versatile tool for ultrafast and efficient control of light using light.« less

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.

Ultrafast all-optical tuning of direct-gap semiconductor metasurfaces

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

Shcherbakov, Maxim R.; Liu, Sheng; Zubyuk, Varvara V.

Optical metasurfaces are regular quasi-planar nanopatterns that can apply diverse spatial and spectral transformations to light waves. But, metasurfaces are no longer adjustable after fabrication, and a critical challenge is to realise a technique of tuning their optical properties that is both fast and efficient. Here, we experimentally realise an ultrafast tunable metasurface consisting of subwavelength gallium arsenide nanoparticles supporting Mie-type resonances in the near infrared. In using transient reflectance spectroscopy, we demonstrate a picosecond-scale absolute reflectance modulation of up to 0.35 at the magnetic dipole resonance of the metasurfaces and a spectral shift of the resonance by 30 nm,more » both achieved at unprecedentedly low pump fluences of less than 400 μJ cm –2. Our findings thereby enable a versatile tool for ultrafast and efficient control of light using light.« less

Surface inspection using FTIR spectroscopy

NASA Technical Reports Server (NTRS)

Powell, G. L.; Smyrl, N. R.; Williams, D. M.; Meyers, H. M., III; Barber, T. E.; Marrero-Rivera, M.

1995-01-01

The use of reflectance Fourier transform infrared (FTIR) spectroscopy as a tool for surface inspection is described. Laboratory instruments and portable instruments can support remote sensing probes that can map chemical contaminants on surfaces with detection limits under the best of conditions in the sub-nanometer range, i.e.. near absolute cleanliness, excellent performance in the sub-micrometer range, and useful performance for films tens of microns thick. Examples of discovering and quantifying contamination such as mineral oils and greases, vegetable oils, and silicone oils on aluminum foil, galvanized sheet steel, smooth aluminum tubing, and sandblasted 7075 aluminum alloy and D6AC steel. The ability to map in time and space the distribution of oil stains on metals is demonstrated. Techniques associated with quantitatively applying oils to metals, subsequently verifying the application, and non-linear relationships between reflectance and the quantity oil are described.

Fourier Transform Infrared Spectroscopy as a Tool in Analysis of Proteus mirabilis Endotoxins.

PubMed

Żarnowiec, Paulina; Czerwonka, Grzegorz; Kaca, Wiesław

2017-01-01

Fourier transform infrared spectroscopy (FT-IR) was used to scan whole bacterial cells as well as lipopolysaccharides (LPSs, endotoxins) isolated from them. Proteus mirabilis cells, with chemically defined LPSs, served as a model for the ATR FT-IR method. The paper focuses on three steps of infrared spectroscopy: (1) sample preparation, (2) IR scanning, and (3) multivariate analysis of IR data (principal component analysis, PCA).

Infrared divergences for free quantum fields in cosmological spacetimes

NASA Astrophysics Data System (ADS)

Higuchi, Atsushi; Rendell, Nicola

2018-06-01

We investigate the nature of infrared divergences for the free graviton and inflaton two-point functions in flat Friedman–Lemaître–Robertson–Walker spacetime. These divergences arise because the momentum integral for these two-point functions diverges in the infrared. It is straightforward to see that the power of the momentum in the integrand can be increased by 2 in the infrared using large gauge transformations, which are sufficient for rendering these two-point functions infrared finite for slow-roll inflation. In other words, if the integrand of the momentum integral for these two-point functions behaves like , where p is the momentum, in the infrared, then it can be made to behave like by large gauge transformations. On the other hand, it is known that, if one smears these two-point functions in a gauge-invariant manner, the power of the momentum in the integrand is changed from to . This fact suggests that the power of the momentum in the integrand for these two-point functions can be increased by 4 using large gauge transformations. In this paper we show that this is indeed the case. Thus, the two-point functions for the graviton and inflaton fields can be made finite by large gauge transformations for a large class of potentials and states in single-field inflation.

Plural-wavelength flame detector that discriminates between direct and reflected radiation

NASA Technical Reports Server (NTRS)

Hall, Gregory H. (Inventor); Barnes, Heidi L. (Inventor); Medelius, Pedro J. (Inventor); Simpson, Howard J. (Inventor); Smith, Harvey S. (Inventor)

1997-01-01

A flame detector employs a plurality of wavelength selective radiation detectors and a digital signal processor programmed to analyze each of the detector signals, and determine whether radiation is received directly from a small flame source that warrants generation of an alarm. The processor's algorithm employs a normalized cross-correlation analysis of the detector signals to discriminate between radiation received directly from a flame and radiation received from a reflection of a flame to insure that reflections will not trigger an alarm. In addition, the algorithm employs a Fast Fourier Transform (FFT) frequency spectrum analysis of one of the detector signals to discriminate between flames of different sizes. In a specific application, the detector incorporates two infrared (IR) detectors and one ultraviolet (UV) detector for discriminating between a directly sensed small hydrogen flame, and reflections from a large hydrogen flame. The signals generated by each of the detectors are sampled and digitized for analysis by the digital signal processor, preferably 250 times a second. A sliding time window of approximately 30 seconds of detector data is created using FIFO memories.

The utility of polarization modulation infrared reflection absorption spectroscopy (PM-IRRAS) in surface and in situ studies: new data processing and presentation approach.

PubMed

Monyoncho, Evans A; Zamlynny, Vlad; Woo, Tom K; Baranova, Elena A

2018-05-29

Infrared spectroscopy is a powerful non-destructive technique for the identification and quantification of organic molecules widely used in scientific studies. For many years, efforts have been made to adopt this technique for the in situ monitoring of reactions. From these efforts, polarization modulation infrared reflection absorption spectroscopy (PM-IRRAS) was developed three decades ago. Unfortunately, because of the complexity of data processing and interpretation, PM-IRRAS had been avoided in lieu of the single potential alteration infrared spectroscopy (SPAIRS) and subtractively normalized interfacial Fourier transform infrared (SNIFTIR). In this work, we present a new approach for PM-IRRAS data processing and presentation, which provides more insight into in situ and surface studies besides dramatically improving the S/N. In this new approach, we recommend three complementary methods of data treatment (eqn (7), (9) and (10)) as the new protocols for presenting PM-IRRAS data. These equations are robust in visualising the surface processes at the solid-liquid and solid-gas interphases. Eqn (7) contrasts the surface adsorbed species with respect to the isotropic background with or without the influence of the applied potential. Eqn (9) highlights the surface potential-driven changes between the sample and the reference spectra. Eqn (10) focuses on the bulk-phase (solution/gas and surface species) potential-driven changes between the sample and the reference spectra, and hence it can be used to track the production of species, which desorb from the surface upon their formation. Examples of ethanol electro-oxidation reaction are provided as a test system for in situ studies and PVP deposited on glassy carbon for thin-film studies to illustrate the utility of the new PM-IRRAS data handling protocol, which is poised to improve the understanding of the chemistry and physics of surface processes.

A low cost, simple, portable instrument for the measurement of infra-red reflectance of paints

NASA Astrophysics Data System (ADS)

Marson, F.

1982-05-01

The construction and design of a low cost, simple, portable infra-red reflectometer which can be used to estimate the reflectance of paint films in the 800 nm region is described. The infra-red reflectances of a range of lustreless, semigloss and gloss olive drab camouflage paints determined using this instrument are compared to those obtained using modified commercial equipment and to the reflectances measured at 800 nm using a Cary model 17 spectrophotometer. The new reflectometer was shown to be superior to the modified commercial instrument currently specified in Australian government paint specifications and to be capable of estimating the reflectance of olive drab paints to within about one per cent of the Cary derived reflectance values. The reflectance values for a range of 24 experimental coatings made with pigments of varying absorption in the infra-red region are used to illustrate the effect of the instrument's spectral response and the necessity of establishing a reliable working standard.

Estimation of wood density and chemical composition by means of diffuse reflectance mid-infrared Fourier transform (DRIFT-MIR) spectroscopy.

PubMed

Nuopponen, Mari H; Birch, Gillian M; Sykes, Rob J; Lee, Steve J; Stewart, Derek

2006-01-11

Sitka spruce (Picea sitchensis) samples (491) from 50 different clones as well as 24 different tropical hardwoods and 20 Scots pine (Pinus sylvestris) samples were used to construct diffuse reflectance mid-infrared Fourier transform (DRIFT-MIR) based partial least squares (PLS) calibrations on lignin, cellulose, and wood resin contents and densities. Calibrations for density, lignin, and cellulose were established for all wood species combined into one data set as well as for the separate Sitka spruce data set. Relationships between wood resin and MIR data were constructed for the Sitka spruce data set as well as the combined Scots pine and Sitka spruce data sets. Calibrations containing only five wavenumbers instead of spectral ranges 4000-2800 and 1800-700 cm(-1) were also established. In addition, chemical factors contributing to wood density were studied. Chemical composition and density assessed from DRIFT-MIR calibrations had R2 and Q2 values in the ranges of 0.6-0.9 and 0.6-0.8, respectively. The PLS models gave residual mean squares error of prediction (RMSEP) values of 1.6-1.9, 2.8-3.7, and 0.4 for lignin, cellulose, and wood resin contents, respectively. Density test sets had RMSEP values ranging from 50 to 56. Reduced amount of wavenumbers can be utilized to predict the chemical composition and density of a wood, which should allow measurements of these properties using a hand-held device. MIR spectral data indicated that low-density samples had somewhat higher lignin contents than high-density samples. Correspondingly, high-density samples contained slightly more polysaccharides than low-density samples. This observation was consistent with the wet chemical data.

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.

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.

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.

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.

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.

Host sensitized near-infrared emission in Nd3+ doped different alkaline-sodium-phosphate phosphors

NASA Astrophysics Data System (ADS)

Balakrishna, A.; Swart, H. C.; Kroon, R. E.; Ntwaeaborwa, O. M.

2018-04-01

Near-infrared (NIR) emitting phosphors of different alkaline based sodium-phosphate (MNa[PO4], where M = Mg, Ca, Sr and Ba were prepared by a conventional solution combustion method with fixed doping concentration of Nd3+ (1.0 mol%). The phosphors were characterized by powder X-ray diffraction, field emission scanning electron microscope, Fourier transform infrared spectroscopy, UV-vis spectroscopy and fluorescent spectrophotometry. The optical properties including reflectance, excitation and emission were investigated. The excitation spectra of the phosphors were characterized by a broadband extending from 450 to 900 nm. Upon excitation with a wavelength of 580 nm, the phosphor emits intensely infrared region at 872 nm, 1060 nm and 1325 nm which correspond to the 4F3/2 → 4I9/2, 4F3/2 → 4I11/2 and 4F3/2 → 4I13/2 transitions of Nd3+ ions and were found to vary for the different hosts. The strongest emission wavelength reaches 1060 nm. The most intense emission of Nd3+ was observed from Ca2+ incorporated host. The down conversion emissions of the material fall in the NIR region suggesting that the prepared phosphors have potential application in the development of photonic devices emitting in the NIR.

Multivariate Analysis of Combined Fourier Transform Near-Infrared Spectrometry (FT-NIR) and Raman Datasets for Improved Discrimination of Drying Oils.

PubMed

Carlesi, Serena; Ricci, Marilena; Cucci, Costanza; La Nasa, Jacopo; Lofrumento, Cristiana; Picollo, Marcello; Becucci, Maurizio

2015-07-01

This work explores the application of chemometric techniques to the analysis of lipidic paint binders (i.e., drying oils) by means of Raman and near-infrared spectroscopy. These binders have been widely used by artists throughout history, both individually and in mixtures. We prepared various model samples of the pure binders (linseed, poppy seed, and walnut oils) obtained from different manufacturers. These model samples were left to dry and then characterized by Raman and reflectance near-infrared spectroscopy. Multivariate analysis was performed by applying principal component analysis (PCA) on the first derivative of the corresponding Raman spectra (1800-750 cm(-1)), near-infrared spectra (6000-3900 cm(-1)), and their combination to test whether spectral differences could enable samples to be distinguished on the basis of their composition. The vibrational bands we found most useful to discriminate between the different products we studied are the fundamental ν(C=C) stretching and methylenic stretching and bending combination bands. The results of the multivariate analysis demonstrated the potential of chemometric approaches for characterizing and identifying drying oils, and also for gaining a deeper insight into the aging process. Comparison with high-performance liquid chromatography data was conducted to check the PCA results.

Characterization of buried metal-molecule-metal junctions using Fourier transform infrared microspectroscopy

NASA Astrophysics Data System (ADS)

Babayco, Christopher B.; Land, Donald P.; Parikh, Atul N.; Kiehl, Richard A.

2014-09-01

We have devised an infrared spectromicroscopy based experimental configuration to enable structural characterization of buried molecular junctions. Our design utilizes a small mercury drop at the focal point of an infrared microscope to act as a mirror in studying metal-molecule-metal (MmM) junctions. An organic molecular monolayer is formed either directly on the mercury drop or on a thin, infrared (IR) semi-transparent layer of Au deposited onto an IR transparent, undoped silicon substrate. Following the formation of the monolayer, films on either metal can be examined independently using specular reflection spectroscopy. Furthermore, by bringing together the two monolayers, a buried molecular bilayer within the MmM junction can be characterized. Independent examination of each half of the junction prior to junction formation also allows probing any structural and/or conformational changes that occur as a result of forming the bilayer. Because our approach allows assembling and disassembling microscopic junctions by forming and withdrawing Hg drops onto the monolayer covered metal, spatial mapping of junctions can be performed simply by translating the location of the derivatized silicon wafer. Finally, the applicability of this technique for the longer-term studies of changes in molecular structure in the presence of electrical bias is discussed.

Temperature-sensitive junction transformations for mid-wavelength HgCdTe photovoltaic infrared detector arrays by laser beam induced current microscope

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

Qiu, Weicheng; National Laboratory for Infrared Physics, Shanghai Institute of Technical Physics, Chinese Academy of Sciences, Shanghai 200083; Hu, Weida, E-mail: wdhu@mail.sitp.ac.cn

2014-11-10

In this paper, we report on the disappearance of the photosensitive area extension effect and the unusual temperature dependence of junction transformation for mid-wavelength, n-on-p HgCdTe photovoltaic infrared detector arrays. The n-type region is formed by B{sup +} ion implantation on Hg-vacancy-doped p-type HgCdTe. Junction transformations under different temperatures are visually captured by a laser beam induced current microscope. A physical model of temperature dependence on junction transformation is proposed and demonstrated by using numerical simulations. It is shown that Hg-interstitial diffusion and temperature activated defects jointly lead to the p-n junction transformation dependence on temperature, and the weaker mixedmore » conduction compared with long-wavelength HgCdTe photodiode contributes to the disappearance of the photosensitive area extension effect in mid-wavelength HgCdTe infrared detector arrays.« less

PARTICULATE MATTER MEASUREMENTS USING OPEN-PATH FOURIER TRANSFORM INFRARED SPECTROSCOPY

EPA Science Inventory

Open-path Fourier transform infrared (OP-FT1R) spectroscopy is an accepted technology for measuring gaseous air contaminants. OP-FT1R absorbance spectra acquired during changing aerosols conditions reveal related changes in very broad baseline features. Usually, this shearing of ...

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 Fourier Transform Spectroscopy for Analysis of Surface Contamination and Quality Control

NASA Technical Reports Server (NTRS)

Pugel, Diane

2012-01-01

Progress has been made into adapting and enhancing a commercially available infrared spectrometer for the development of a handheld device for in-field measurements of the chemical composition of various samples of materials. The intent is to duplicate the functionality of a benchtop Fourier transform infrared spectrometer (FTIR) within the compactness of a handheld instrument with significantly improved spectral responsivity. Existing commercial technology, like the deuterated L-alanine triglycine sulfide detectors (DLATGS), is capable of sensitive in-field chemical analysis. This proposed approach compares several subsystem elements of the FTIR inside of the commercial, non-benchtop system to the commercial benchtop systems. These subsystem elements are the detector, the preamplifier and associated electronics of the detector, the interferometer, associated readout parameters, and cooling. This effort will examine these different detector subsystem elements to look for limitations in each. These limitations will be explored collaboratively with the commercial provider, and will be prioritized to meet the deliverable objectives. The tool design will be that of a handheld gun containing the IR filament source and associated optics. It will operate in a point-and-shoot manner, pointing the source and optics at the sample under test and capturing the reflected response of the material in the same handheld gun. Data will be captured via the gun and ported to a laptop.

Discrimination of organic coffee via Fourier transform infrared-photoacoustic spectroscopy.

PubMed

Gordillo-Delgado, Fernando; Marín, Ernesto; Cortés-Hernández, Diego Mauricio; Mejía-Morales, Claudia; García-Salcedo, Angela Janet

2012-08-30

Procedures for the evaluation of the origin and quality of ground and roasted coffee are constantly needed for the associated industry due to complexity of the related market. Conventional Fourier transform infrared (FTIR) spectroscopy can be used for detecting changes in functional groups of compounds, such as coffee. However, dispersion, reflection and non-homogeneity of the sample matrix can cause problems resulting in low spectral quality. On the other hand, sample preparation frequently takes place in a destructive way. To overcome these difficulties, in this work a photoacoustic cell has been adapted as a detector in a FTIR spectrophotometer to perform a study of roasted and ground coffee from three varieties of Coffea arabica grown by organic and conventional methods. Comparison between spectra of coffee recorded by FTIR-photoacoustic spectrometry (PAS) and by FTIR spectrophotometry showed a better resolution of the former method, which, aided by principal components analysis, allowed the identification of some absorption bands that allow the discrimination between organic and conventional coffee. The results obtained provide information about the spectral behavior of coffee powder which can be useful for establishing discrimination criteria. It has been demonstrated that FTIR-PAS can be a useful experimental tool for the characterization of coffee. Copyright © 2012 Society of Chemical Industry.

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.

[A digital micromirror device-based Hadamard transform near infrared spectrometer].

PubMed

Liu, Jia; Chen, Fen-Fei; Liao, Cheng-Sheng; Xu, Qian; Zeng, Li-Bo; Wu, Qiong-Shui

2011-10-01

A Hadamard transform near infrared spectrometer based on a digital micromirror device was constructed. The optical signal was collected by optical fiber, a grating was used for light diffraction, a digital micromirror device (DMD) was applied instead of traditional mechanical Hadamard masks for optical modulation, and an InGaAs near infrared detector was used as the optic sensor. The original spectrum was recovered by fast Hadamard transform algrithms. The advantages of the spectrometer, such as high resolution, signal-noise-ratio, stability, sensitivity and response speed were proved by experiments, which indicated that it is very suitable for oil and food-safety applications.

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.

[Research on identification of species of fruit trees by spectral analysis].

PubMed

Xing, Dong-Xing; Chang, Qing-Rui

2009-07-01

Using the spectral reflectance data (R2) of canopies, the present paper identifies seven species of fruit trees bearing fruit in the fruit mature period. Firstly, it compares the fruit tree species identification capability of six kinds of satellite sensors and four kinds of vegetation index through re-sampling the spectral data with six kinds of pre-defined filter function and the related data processing of calculating vegetation indexes. Then, it structures a BP neural network model for identifying seven species of fruit trees on the basis of choosing the best transformation of R(lambda) and optimizing the model parameters. The main conclusions are: (1) the order of the identification capability of the six kinds of satellite sensors from strong to weak is: MODIS, ASTER, ETM+, HRG, QUICKBIRD and IKONOS; (2) among the four kinds of vegetation indexes, the identification capability of RVI is the most powerful, the next is NDVI, while the identification capability of SAVI or DVI is relatively weak; (3) The identification capability of RVI and NDVI calculated with the reflectance of near-infrared and red channels of ETM+ or MODIS sensor is relatively powerful; (4) Among R(lambda) and its 22 kinds of transformation data, d1 [log(1/R(lambda))](derivative gap is set 9 nm) is the best transformation for structuring BP neural network model; (5) The paper structures a 3-layer BP neural network model for identifying seven species of fruit trees using the best transformation of R(lambda) which is d1 [log(1/R(lambda))](derivative gap is set 9 nm).

Remote sensing of soil organic matter of farmland with hyperspectral image

NASA Astrophysics Data System (ADS)

Gu, Xiaohe; Wang, Lei; Yang, Guijun; Zhang, Liyan

2017-10-01

Monitoring soil organic matter (SOM) of cultivated land quantitively and mastering its spatial change are helpful for fertility adjustment and sustainable development of agriculture. The study aimed to analyze the response between SOM and reflectivity of hyperspectral image with different pixel size and develop the optimal model of estimating SOM with imaging spectral technology. The wavelet transform method was used to analyze the correlation between the hyperspectral reflectivity and SOM. Then the optimal pixel size and sensitive wavelet feature scale were screened to develop the inversion model of SOM. Result showed that wavelet transform of soil hyperspectrum was help to improve the correlation between the wavelet features and SOM. In the visible wavelength range, the susceptible wavelet features of SOM mainly concentrated 460 603 nm. As the wavelength increased, the wavelet scale corresponding correlation coefficient increased maximum and then gradually decreased. In the near infrared wavelength range, the susceptible wavelet features of SOM mainly concentrated 762 882 nm. As the wavelength increased, the wavelet scale gradually decreased. The study developed multivariate model of continuous wavelet transforms by the method of stepwise linear regression (SLR). The CWT-SLR models reached higher accuracies than those of univariate models. With the resampling scale increasing, the accuracies of CWT-SLR models gradually increased, while the determination coefficients (R2) fluctuated from 0.52 to 0.59. The R2 of 5*5 scale reached highest (0.5954), while the RMSE reached lowest (2.41 g/kg). It indicated that multivariate model based on continuous wavelet transform had better ability for estimating SOM than univariate model.

Tensor Fukunaga-Koontz transform for small target detection in infrared images

NASA Astrophysics Data System (ADS)

Liu, Ruiming; Wang, Jingzhuo; Yang, Huizhen; Gong, Chenglong; Zhou, Yuanshen; Liu, Lipeng; Zhang, Zhen; Shen, Shuli

2016-09-01

Infrared small targets detection plays a crucial role in warning and tracking systems. Some novel methods based on pattern recognition technology catch much attention from researchers. However, those classic methods must reshape images into vectors with the high dimensionality. Moreover, vectorizing breaks the natural structure and correlations in the image data. Image representation based on tensor treats images as matrices and can hold the natural structure and correlation information. So tensor algorithms have better classification performance than vector algorithms. Fukunaga-Koontz transform is one of classification algorithms and it is a vector version method with the disadvantage of all vector algorithms. In this paper, we first extended the Fukunaga-Koontz transform into its tensor version, tensor Fukunaga-Koontz transform. Then we designed a method based on tensor Fukunaga-Koontz transform for detecting targets and used it to detect small targets in infrared images. The experimental results, comparison through signal-to-clutter, signal-to-clutter gain and background suppression factor, have validated the advantage of the target detection based on the tensor Fukunaga-Koontz transform over that based on the Fukunaga-Koontz transform.

A Two-Dimensional 'Zigzag' Silica Polymorph on a Metal Support.

PubMed

Kuhness, David; Yang, Hyun Jin; Klemm, Hagen W; Prieto, Mauricio; Peschel, Gina; Fuhrich, Alexander; Menzel, Dietrich; Schmidt, Thomas; Yu, Xin; Shaikhutdinov, Shamil; Lewandowski, Adrian; Heyde, Markus; Kelemen, Anna; Włodarczyk, Radosław; Usvyat, Denis; Schütz, Martin; Sauer, Joachim; Freund, Hans-Joachim

2018-05-16

We present a new polymorph of the two-dimensional (2D) silica film with a characteristic 'zigzag' line structure and a rectangular unit cell which forms on a Ru(0001) metal substrate. This new silica polymorph may allow for important insights into growth modes and transformations of 2D silica films as a model system for the study of glass transitions. Based on scanning tunneling microscopy, low energy electron diffraction, infrared reflection absorption spectroscopy, and X-ray photoelectron spectroscopy measurements on the one hand, and density functional theory calculations on the other, a structural model for the 'zigzag' polymorph is proposed. In comparison to established monolayer and bilayer silica, this 'zigzag' structure system has intermediate characteristics in terms of coupling to the substrate and stoichiometry. The silica 'zigzag' phase is transformed upon reoxidation at higher annealing temperature into a SiO 2 silica bilayer film which is chemically decoupled from the substrate.

Preparation and characterization of photoactive composite kaolinite/TiO(2).

PubMed

Mamulová Kutláková, K; Tokarský, J; Kovář, P; Vojtěšková, S; Kovářová, A; Smetana, B; Kukutschová, J; Čapková, P; Matějka, V

2011-04-15

Preparation of nanocomposite kaolinite/TiO(2), using hydrolysis of titanyl sulfate in the presence of kaolin was addressed. A variable (kaolin)/(titanyl sulfate) ratio has been used in order to achieve the desired TiO(2) content in prepared nanocomposites. Calcination of the composites at 600 °C led to the transformation of the kaolinite to metakaolinite and to origination of metakaolinite/TiO(2) composites. The prepared samples were investigated using X-ray fluorescence spectroscopy, X-ray powder diffraction, Fourier transform infrared spectroscopy, scanning electron microscopy, thermogravimetry and diffuse reflectance spectroscopy in the UV-VIS region. Structural ordering of TiO(2) on the kaolinite particle surface was modeled using empirical force field atomistic simulations in the Material Studio modeling environment. Photodegradation activity of the composites prepared was evaluated by the discoloration of Acid Orange 7 aqueous solution. Copyright © 2011 Elsevier B.V. All rights reserved.

Measurement of nitrogen content in a gas mixture by transforming the nitrogen into a substance detectable with nondispersive infrared detection

DOEpatents

Owen, Thomas E.; Miller, Michael A.

2010-08-24

A method of determining the amount of nitrogen in a gas mixture. The constituent gases of the mixture are dissociated and transformed to create a substance that may measured using nondispersive infrared adsorption techniques.

Measurement of nitrogen content in a gas mixture by transforming the nitrogen into a substance detectable with nondispersive infrared detection

DOEpatents

Owen, Thomas E.; Miller, Michael A.

2007-03-13

A method of determining the amount of nitrogen in a gas mixture. The constituent gases of the mixture are dissociated and transformed to create a substance that may measured using nondispersive infrared adsorption techniques.

Detection and classification of salmonella serotypes using spectral signatures collected by fourier transform infrared (FT-IR) spectroscopy

USDA-ARS?s Scientific Manuscript database

Spectral signatures of Salmonella serotypes namely Salmonella Typhimurium, Salmonella Enteritidis, Salmonella Infantis, Salmonella Heidelberg and Salmonella Kentucky were collected using Fourier transform infrared spectroscopy (FT-IR). About 5-10 µL of Salmonella suspensions with concentrations of 1...

Identification and characterization of salmonella serotypes using DNA spectral characteristics by fourier transform infrared (FT-IR) spectroscopy

USDA-ARS?s Scientific Manuscript database

Analysis of DNA samples of Salmonella serotypes (Salmonella Typhimurium, Salmonella Enteritidis, Salmonella Infantis, Salmonella Heidelberg and Salmonella Kentucky) were performed using Fourier transform infrared spectroscopy (FT-IR) spectrometer by placing directly in contact with a diamond attenua...

Mid-Infrared Reflectance Imaging of Thermal-Barrier Coatings

NASA Technical Reports Server (NTRS)

Edlridge, Jeffrey I.; Martin, Richard E.

2009-01-01

An apparatus for mid-infrared reflectance imaging has been developed as means of inspecting for subsurface damage in thermal-barrier coatings (TBCs). The apparatus is designed, more specifically, for imaging the progression of buried delamination cracks in plasma-sprayed yttria-stabilized zirconia coatings on turbine-engine components. Progression of TBC delamination occurs by the formation of buried cracks that grow and then link together to produce eventual TBC spallation. The mid-infrared reflectance imaging system described here makes it possible to see delamination progression that is invisible to the unaided eye, and therefore give sufficiently advanced warning before delamination progression adversely affects engine performance and safety. The apparatus (see figure) includes a commercial mid-infrared camera that contains a liquid-nitrogen-cooled focal plane indium antimonide photodetector array, and imaging is restricted by a narrow bandpass centered at wavelength of 4 microns. This narrow wavelength range centered at 4 microns was chosen because (1) it enables avoidance of interfering absorptions by atmospheric OH and CO2 at 3 and 4.25 microns, respectively; and (2) the coating material exhibits maximum transparency in this wavelength range. Delamination contrast is produced in the midinfrared reflectance images because the introduction of cracks into the TBC creates an internal TBC/air-gap interface with a high diffuse reflectivity of 0.81, resulting in substantially higher reflectance of mid-infrared radiation in regions that contain buried delamination cracks. The camera is positioned a short distance (.12 cm) from the specimen. The mid-infrared illumination is generated by a 50-watt silicon carbide source positioned to the side of the mid-infrared camera, and the illumination is collimated and reflected onto the specimen by a 6.35-cm-diameter off-axis paraboloidal mirror. Because the collected images are of a steady-state reflected intensity (in contrast to the transient thermal response observed in infrared thermography), collection times can be lengthened to whatever extent needed to achieve desired signal-to-noise ratios. Each image is digitized, and the resulting data are processed in several steps to obtain a true mid-infrared reflectance image. The raw image includes thermal radiation emitted by the specimen in addition to the desired reflected radiation. The thermal-radiation contribution is eliminated by subtracting the image obtained with the illumination off from the image obtained with the illumination on. A flat-field correction is then made to remove the effects of non-uniformities in the illumination level and pixel-to-pixel variations in sensitivity. This correction is performed by normalizing to an image of a standard object that has a known reflectance at a wavelength of 4 microns. After correction, each pixel value is proportional to the reflectance (at a wavelength of 4-microns) at the corresponding location on the specimen. Mid-infrared reflectance imaging of specimens that were thermally cyc led for different numbers of cycles was performed and demonstrated t hat mid-infrared reflectance imaging was able to monitor the gradual delamination progression that occurs with continued thermal cycling . Reproducible values were obtained for the reflectance associated w ith an attached and fully delaminated TBC, so that intermediate refle ctance values could be interpreted to successfully predict the numbe r of thermal cycles to failure.

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.

Limitations and potential of spectral subtractions in fourier-transform infrared (FTIR) spectroscopy of soil samples

USDA-ARS?s Scientific Manuscript database

Soil science research is increasingly applying Fourier transform infrared (FTIR) spectroscopy for analysis of soil organic matter (SOM). However, the compositional complexity of soils and the dominance of the mineral component can limit spectroscopic resolution of SOM and other minor components. The...

Chemometric Analysis of Multicomponent Biodegradable Plastics by Fourier Transform Infrared Spectrometry: The R-Matrix Method

USDA-ARS?s Scientific Manuscript database

A new chemometric method based on absorbance ratios from Fourier transform infrared spectra was devised to analyze multicomponent biodegradable plastics. The method uses the BeerLambert law to directly compute individual component concentrations and weight losses before and after biodegradation of c...

Applications of Fourier transform infrared spectroscopy to quality control of the epoxy matrix

NASA Technical Reports Server (NTRS)

Antoon, M. K.; Starkey, K. M.; Koenig, J. L.

1979-01-01

The object of the paper is to demonstrate the utility of Fourier transform infrared (FT-IR) difference spectra for investigating the composition of a neat epoxy resin, hardener, and catalysts. The composition and degree of cross-linking of the cured matrix is also considered.

A statistical evaluation of spectral fingerprinting methods using analysis of variance and principal component analysis

USDA-ARS?s Scientific Manuscript database

Six methods were compared with respect to spectral fingerprinting of a well-characterized series of broccoli samples. Spectral fingerprints were acquired for finely-powdered solid samples using Fourier transform-infrared (IR) and Fourier transform-near infrared (NIR) spectrometry and for aqueous met...

Bilayer free-standing beam splitter for Fourier transform infrared spectrometry.

PubMed

Rowell, N L; Wang, E A

1996-06-01

We describe the design, fabrication, testing, and performance of a two-layer free-standing beam splitter for use in far-infrared Fourier transform infrared spectrometers. This bilayer beam splitter, consisting of a low-index polymer layer in combination with a high-index semiconductor layer, has an efficiency that is higher than that of the best combination of four single-layer Mylar beam splitters currently in use for spectrometry from 50 to 550 cm(-1).

Infrared space observatory photometry of circumstellar dust in Vega-type systems

NASA Technical Reports Server (NTRS)

Fajardo-Acosta, S. B.; Stencel, R. E.; Backman, D. E.; Thakur, N.

1998-01-01

The ISOPHOT (Infrared Space Observatory Photometry) instrument onboard the Infrared Space Observatory (ISO) was used to obtain 3.6-90 micron photometry of Vega-type systems. Photometric data were calibrated with the ISOPHOT fine calibration source 1 (FCS1). Linear regression was used to derive transformations to make comparisons to ground-based and IRAS photometry systems possible. These transformations were applied to the photometry of 14 main-sequence stars. Details of these results are reported on.

Application of Fourier transform infrared spectroscopy for monitoring short-chain free fatty acids in Swiss cheese.

PubMed

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

2007-08-01

Short-chain free fatty acids (FFA) are important sources of cheese flavor and have been reported to be indicators for assessing quality. The objective of this research was to develop a simple and rapid screening tool for monitoring the short-chain FFA contents in Swiss cheese by using Fourier transform infrared spectroscopy (FTIR). Forty-four Swiss cheese samples were evaluated by using a MIRacle three-reflection diamond attenuated total reflectance (ATR) accessory. Two different sampling techniques were used for FTIR/ATR measurement: direct measurement of Swiss cheese slices (approximately 0.5 g) and measurement of a water-soluble fraction of cheese. The amounts of FFA (propionic, acetic, and butyric acids) in the water-soluble fraction of samples were analyzed by gas chromatography-flame ion-ization detection as a reference method. Calibration models for both direct measurement and the water-soluble fraction of cheese were developed based on a cross-validated (leave-one-out approach) partial least squares regression by using the regions of 3,000 to 2,800, 1,775 to 1,680, and 1,500 to 900 cm(-1) for short-chain FFA in cheese. Promising performance statistics were obtained for the calibration models of both direct measurement and the water-soluble fraction, with improved performance statistics obtained from the water-soluble extract, particularly for propionic acid. Partial least squares models generated from FTIR/ATR spectra by direct measurement of cheeses gave standard errors of cross-validation of 9.7 mg/100 g of cheese for propionic acid, 9.3 mg/100 g of cheese for acetic acid, and 5.5 mg/100 g of cheese for butyric acid, and correlation coefficients >0.9. Standard error of cross-validation values for the water-soluble fraction were 4.4 mg/100 g of cheese for propionic acid, 9.2 mg/100 g of cheese for acetic acid, and 5.2 mg/100 g of cheese for butyric acid with correlation coefficients of 0.98, 0.95, and 0.92, respectively. Infrared spectroscopy and chemometrics accurately and precisely predicted the short-chain FFA content in Swiss cheeses and in the water-soluble fraction of the cheese.

Hybrid metasurfaces for microwave reflection and infrared emission reduction.

PubMed

Pang, Yongqiang; Li, Yongfeng; Yan, Mingbao; Liu, Dongqing; Wang, Jiafu; Xu, Zhuo; Qu, Shaobo

2018-04-30

Controlling of electromagnetic wave radiation is of great importance in many fields. In this work, a hybrid metasurface (HMS) is designed to simultaneously reduce the microwave reflection and the infrared emission. The HMS is composed of the metal/dielectric/metal/dielectric/metal configuration. The reflection reduction at microwave frequencies mainly results from the phase cancellation technique, while the infrared emission reduction is due to the reflection of the metal with a high filling ration in the top layer. It has been analytically indicated that reflection reduction with an efficiency larger than 10 dB can be achieved in the frequency band of 8.2-18 GHz, and this has been well verified by the simulated and experimental results. Meanwhile, the designed HMS displays a low emission performance in the infrared band, with the emissivity less than 0.27 from 3 to 14 μm. It is believed that our proposal may find the application of multispectral stealth technology.

Characterization and Application of a Grazing Angle Objective for Quantitative Infrared Reflection Microspectroscopy

NASA Technical Reports Server (NTRS)

Pepper, Stephen V.

1995-01-01

A grazing angle objective on an infrared microspectrometer is studied for quantitative spectroscopy by considering the angular dependence of the incident intensity within the objective's angular aperture. The assumption that there is no angular dependence is tested by comparing the experimental reflectance of Si and KBr surfaces with the reflectance calculated by integrating the Fresnel reflection coefficient over the angular aperture under this assumption. Good agreement was found, indicating that the specular reflectance of surfaces can straight-forwardly be quantitatively integrated over the angular aperture without considering non-uniform incident intensity. This quantitative approach is applied to the thickness determination of dipcoated Krytox on gold. The infrared optical constants of both materials are known, allowing the integration to be carried out. The thickness obtained is in fair agreement with the value determined by ellipsometry in the visible. Therefore, this paper illustrates a method for more quantitative use of a grazing angle objective for infrared reflectance microspectroscopy.

Optimizing the models for rapid determination of chlorogenic acid, scopoletin and rutin in plant samples by near-infrared diffuse reflectance spectroscopy

NASA Astrophysics Data System (ADS)

Mao, Zhiyi; Shan, Ruifeng; Wang, Jiajun; Cai, Wensheng; Shao, Xueguang

2014-07-01

Polyphenols in plant samples have been extensively studied because phenolic compounds are ubiquitous in plants and can be used as antioxidants in promoting human health. A method for rapid determination of three phenolic compounds (chlorogenic acid, scopoletin and rutin) in plant samples using near-infrared diffuse reflectance spectroscopy (NIRDRS) is studied in this work. Partial least squares (PLS) regression was used for building the calibration models, and the effects of spectral preprocessing and variable selection on the models are investigated for optimization of the models. The results show that individual spectral preprocessing and variable selection has no or slight influence on the models, but the combination of the techniques can significantly improve the models. The combination of continuous wavelet transform (CWT) for removing the variant background, multiplicative scatter correction (MSC) for correcting the scattering effect and randomization test (RT) for selecting the informative variables was found to be the best way for building the optimal models. For validation of the models, the polyphenol contents in an independent sample set were predicted. The correlation coefficients between the predicted values and the contents determined by high performance liquid chromatography (HPLC) analysis are as high as 0.964, 0.948 and 0.934 for chlorogenic acid, scopoletin and rutin, respectively.

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

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).

Relating structure with morphology: A comparative study of perfect Langmuir Blodgett multilayers

NASA Astrophysics Data System (ADS)

Mukherjee, Smita; Datta, Alokmay; Giglia, Angelo; Mahne, Nichole; Nannarone, Stefano

2008-01-01

Atomic force microscopy and X-ray reflectivity of metal-stearate (MSt) Langmuir-Blodgett films on hydrophilic Silicon (1 0 0), show dramatic reduction in 'pinhole' defects when metal M is changed from Cd to Co, along with excellent periodicity in multilayer, with hydrocarbon tails tilted 9.6° from vertical for CoSt (untilted for CdSt). Near edge X-ray absorption fine structure (NEXAFS) and Fourier transform infra-red (FTIR) spectroscopies indicate bidentate bridging metal-carboxylate coordination in CoSt (unidentate in CdSt), underscoring role of headgroup structure in determining morphology. FTIR studies also show increased packing density in CoSt, consistent with increased coverage.

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.

An Evaluation of the Environmental Fate and Behavior of Munitions Materiel (Tetryl and Polar Metabolites of TNT) in Soil and Plant Systems. Environmental Fate and Behavior of Tetryl

DTIC Science & Technology

1992-03-01

attempted to verify product identity and purity by GC with either Fourier transform infrared spectro.icopy (FTIR) or mass spectroscopy (MS) detection...ýl0 5 In-1 z U)-’i0oo -3g’i o -6o0 626o a i60 ito1 2i oo I ’ o [JfnVENUII8ER (cm- FIGURE 3,9. Fourier Transform Infrared Spectroscopy Spectrum of...Fourier Transform Infrared Spectroscopy Spectrum of Tetryl I-I F1U~IGUR Fourier Utransformlfret Spcrop S ectrum of TeasomtinPoutrl 0 , -39 i : : : -. . i

BiOBr microspheres for photocatalytic degradation of an anionic dye

NASA Astrophysics Data System (ADS)

Mera, Adriana C.; Váldes, Héctor; Jamett, Fabiola J.; Meléndrez, M. F.

2017-03-01

BiOBr microspheres were obtained using a solvothermal synthesis route in the presence of ethylene glycol and KBr at 145 °C, for 18 h. BiOBr microspheres were characterized by scanning electron microscopy (SEM), energy dispersive X-ray spectroscopy (EDS), transmission electron microscopy (TEM), X-ray diffraction (XRD), thermogravimetric analysis (TGA), nitrogen adsorption-desorption isotherms analysis, diffuse reflectance spectroscopy (DRS), and diffuse reflectance infrared Fourier transform spectroscopy (DRIFTS). Additionally, the theoretical and experimental isoelectric points (IEP) of BiOBr nanostructured microspheres were determined, and pH's influence on the degradation of an anionic dye (methyl orange) under simulated solar radiation was analyzed. Results show that 97% of methyl orange is removed at pH 2 after 60 min of photocatalytic reaction. Finally, DRIFTS studies permit the proposal of a surface reaction mechanism of the photocatalytic oxidation of MO using BiOBr microspheres.

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.

Low Cost CaTiO3 Perovskite Synthesized from Scallop (Anadara granosa) Shell as Antibacterial Ceramic Material

NASA Astrophysics Data System (ADS)

Fatimah, Is; Nur Ilahi, Rico; Pratami, Rismayanti

2018-01-01

Research on perovskite CaTiO3 synthesis from scallop (Anadara granosa) shell and its test as material for antibacterial ceramic application have been conducted. The synthesis was performed by calcium extraction from the scallop shell followed by solid-solid reaction of obtained calcium with TiO2. Physicochemical character of the perovskite wasstudied by measurement of crystallinity using x-ray diffraction (XRD), diffuse-reflectance UV Visible spectrophotometry, scanning electrone microscope-energy dispersive x-ray (SEM-EDX) and Fourier-Transform InfraRed. Considering the future application of the perovskite as antibacterial agent, laboratory test of the peroskite as material in antibacterial ceramic preparation was also conducted. Result of research indicated that perovskite formation was obtained and the material demonstrated photocatalytic activity as identified by band gap energy (Eg) value. The significant activity was also reflected by the antibacterial action of formed ceramic.

Correlation among far-infrared reflection modes, crystal structures and dielectric properties of Ba(Zn{sub 1/3}Nb{sub 2/3})O{sub 3}–CaTiO{sub 3} ceramics

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

Shi, Feng, E-mail: sf751106@sina.com.cn; Sun, Haiqing; Liu, Hongquan

Highlights: • Crystal symmetry decreases with CT concentration from cubic to hexagonal structure. • Lattice constants as well as the ordered degree change with CT concentration. • Ordered structures turn from 1:1 to 1:2 ordering with change of crystal structures. • There is a correlation between FIR phonon modes and dielectric properties. • There is a correlation between FIR phonon modes and crystal structures. - Abstract: Ba(Zn{sub 1/3}Nb{sub 2/3})O{sub 3} (BZN)–CaTiO{sub 3} (CT) microwave dielectric ceramics were synthesized at 1395 °C for 4 h using conventional solid-state sintering technique with different CT contents. The ceramics were characterized by X-ray diffractionmore » (XRD) and far-infrared reflection (FIR) spectroscopy to evaluate correlations among crystal structures, dielectric properties, and infrared modes. XRD results showed that crystal symmetry decreased with increased CT concentration from cubic to hexagonal structure, and lattice constants and ordered degree changed accordingly. Ordered phases transformed from 1:1 to 1:2 ordered structure with crystal-structure change. FIR results demonstrated that two new IR active modes appeared at 300 cm{sup −1}, and another new mode appeared at 600 cm{sup −1} for the x ≥ 0.60 sample, which agreed with the change in crystal structures as confirmed by XRD results. Correlations between FIR modes and dielectric properties were established.« less

Comparing dried and liquid blood serum samples of depressed patients: An analysis by Raman and infrared spectroscopy methods.

PubMed

Depciuch, J; Parlinska-Wojtan, M

2018-02-20

Depression is a serious mental illness. To study the mechanism of depression and search for new, more effective therapies, animal models are often used. Unfortunately, none of the available models reflects all the symptoms of depression. Therefore researchers are looking for new tools to diagnose depression. Unfortunately, the nowadays-available depression diagnosis methods are only psychological tests. However, it is known, that the amount of phospholipids, proteins and lipids decreases during depression. Raman and FTIR (Fourier Transform Infra Red) spectroscopies provide information on the chemical compounds in the measured sample e.g. blood serum. These spectroscopic techniques may thus become reliable and accurate tools for evaluating changes in the amount of phospholipids and proteins in depression disease. In this study differences between dried and liquid blood serum samples of healthy and depressed individuals measured by Raman (range 0-3000cm -1 ) and FTIR (Fourier Transform Infrared) (range 900-3000cm -1 ) spectroscopy were evaluated. The resulting spectra and accurate analysis led to the conclusion that an appropriate measurement of the background and the elimination of peaks from water had the greatest impact on the reliability of the results. Furthermore, after detailed studies of FTIR and Raman spectra of dried and liquid blood serum samples, including a complete analysis of peaks after Kramers-Kröning (KK) transformation, it was found that the sample preparation did not affect the results obtained by Raman spectroscopy. In FTIR measurements only a minimal effect on peak intensity was observed. Copyright © 2017 Elsevier B.V. All rights reserved.

Toward 3D Printing of Medical Implants: Reduced Lateral Droplet Spreading of Silicone Rubber under Intense IR Curing.

PubMed

Stieghorst, Jan; Majaura, Daniel; Wevering, Hendrik; Doll, Theodor

2016-03-01

The direct fabrication of silicone-rubber-based individually shaped active neural implants requires high-speed-curing systems in order to prevent extensive spreading of the viscous silicone rubber materials during vulcanization. Therefore, an infrared-laser-based test setup was developed to cure the silicone rubber materials rapidly and to evaluate the resulting spreading in relation to its initial viscosity, the absorbed infrared radiation, and the surface tensions of the fabrication bed's material. Different low-adhesion materials (polyimide, Parylene-C, polytetrafluoroethylene, and fluorinated ethylenepropylene) were used as bed materials to reduce the spreading of the silicone rubber materials by means of their well-known weak surface tensions. Further, O2-plasma treatment was performed on the bed materials to reduce the surface tensions. To calculate the absorbed radiation, the emittance of the laser was measured, and the absorptances of the materials were investigated with Fourier transform infrared spectroscopy in attenuated total reflection mode. A minimum silicone rubber spreading of 3.24% was achieved after 2 s curing time, indicating the potential usability of the presented high-speed-curing process for the direct fabrication of thermal-curing silicone rubbers.

Hydrolysis of Baltic amber during thermal ageing--an infrared spectroscopic approach.

PubMed

Pastorelli, Gianluca; Shashoua, Yvonne; Richter, Jane

2013-04-01

To enable conservation of amber in museums, understanding of chemical changes is crucial. While oxidation has been investigated particularly well for this natural polymer, further degradation phenomena in relation to humidity and pollutants are poorly studied or still unknown. Attenuated total reflectance-Fourier transform infrared spectroscopy was explored with regard to Baltic amber. A systematic spectroscopic survey of a wide range of thermally aged model amber samples, exposed to different microclimatic conditions, showed significant changes in their spectra. Samples aged in a humid and acidic environment or exposed to a humid and alkaline atmosphere generally exhibited a higher absorbance intensity of carbonyl groups at frequencies assigned to acids than unaged samples, samples aged in drier conditions and samples immersed in an alkaline solution. Baltic amber comprises succinate ester, which may be hydrolysed into communol and succinic acid. The survey thus provided evidence about the progress of hydrolytic reactions during degradation of Baltic amber. Infrared spectroscopy was shown to have significant potential for providing qualitative and quantitative chemical information on hydrolysis of amber, which will be of interest for the development of preventive conservation techniques for museum collections of amber objects. Copyright © 2013 Elsevier B.V. All rights reserved.

The Effect of Substrate Emissivity on the Spectral Emission of a Hot-Gas Overlayer

DTIC Science & Technology

2015-12-30

unlimited. Unclassified Unlimited Unclassified Unlimited Unclassified Unlimited Unclassified Unlimited 19 Harold D. Ladouceur (202) 767-3558 Fourier ...13 REFERENCES………………………………………………………………………………….………..14 E-1 EXECUTIVE SUMMARY Fourier transform infrared...Raman spectroscopy, ambient x-ray photoelectron spectroscopy, near- infrared thermal imaging, and Fourier transform infrared emission spectroscopy

Infrared Analysis Using Tissue Paper.

ERIC Educational Resources Information Center

Owen, Noel L.; Wood, Steven G.

1987-01-01

Described is a quick, easy, and cheap, but effective method of obtaining infrared spectra of solids and nonvolatile liquids by Fourier transform infrared spectroscopy. The technique uses tissue paper as a support matrix. (RH)

PLANE-INTEGRATED OPEN-PATH FOURIER TRANSFORM INFRARED SPECTROMETRY METHODOLOGY FOR ANAEROBIC SWINE LAGOON EMISSION MEASUREMENTS

EPA Science Inventory

Emissions of ammonia and methane from an anaerobic lagoon at a swine animal feeding operation were evaluated five times over a period of two years. The plane-integrated (PI) open-path Fourier transform infrared spectrometry (OP-FTIR) methodology was used to transect the plume at ...

Comparison and validation of Fourier transform infrared spectroscopic methods for monitoring secondary cell wall cellulose from cotton fibers

USDA-ARS?s Scientific Manuscript database

The amount of secondary cell wall (SCW) cellulose in the fiber affects the quality and commercial value of cotton. Accurate assessments of SCW cellulose are essential for improving cotton fibers. Fourier Transform Infrared (FT-IR) spectroscopy enables distinguishing SCW from other cell wall componen...

CHARACTERIZATION OF AMBIENT PM2.5 AEROSOL AT A SOUTHEASTERN US SITE: FOURIER TRANSFORM INFRARED ANALYSIS OR PARTICLE PHASE

EPA Science Inventory

During a field study in the summer of 2000 in the Research Triangle Park (RTP), aerosol samples were collected using a five stage cascade impactor and subsequently analyzed using Fourier Transform Infrared Spectroscopy (FTIR). The impaction surfaces were stainless steel disks....

Topics in Chemical Instrumentation: Fourier Transform-Infrared Spectroscopy: Part I. Instrumentation.

ERIC Educational Resources Information Center

Perkins, W. D.

1986-01-01

Discusses: (1) the design of the Fourier Transform-Infrared Spectroscopy (FT-IR) spectrometer; (2) the computation of the spectrum from the interferogram; and (3) the use of apodization. (Part II will discuss advantages of FT-IR over dispersive techniques and show applications of FT-IR to difficult spectroscopic measurements.) (JN)

Molecular spectroscopy from 5-12 μm using an OP-GaP OPO

NASA Astrophysics Data System (ADS)

Maidment, Luke; Schunemann, Peter G.; Reid, Derryck T.

2017-02-01

We report a femtosecond optical parametric oscillator (OPO) based on the new semiconductor gain material orientation patterned gallium phosphide (OP-GaP) and being the first example of a broadband OPO operating across the molecular fingerprint region. OP-GaP crystals with lengths of 1 mm and several patterning periods were diced, polished, and antireflection (AR) coated for near- to mid-infrared wavelengths. We configured a synchronously pumped OP-GaP OPO in a 101.2-MHz resonator with high reflectivity from 1.15-1.35 μm, pumped with 150-fs pulses from a 1040-nm femtosecond laser (Chromacity Spark). The coating of one spherical mirror was optimized for transmission at the pump wavelength of 1040 nm and for high reflectivity at the resonant signal wavelength in a range from 1.15-1.35 μm, while the other spherical mirror collimated the idler beam emerging from the OP-GaP crystal and was silver coated to provide high reflectivity for all idler wavelengths. This collimated idler beam was output-coupled from the cavity by transmission through a plane mirror coated with high transmission for the idler wavelengths (5-12 μm) and high reflectivity for the signal wavelengths (1.15-1.35 μm) on an infrared-transparent ZnSe substrate. Idler spectra centered from 5.4-11.8 μm and extending to 12.5 μm were collected. The maximum average power was 55 mW at 5.4 μm with 7.5 mW being recorded at 11.8 μm. Details of Fourier transform spectroscopy using water vapor and a polystyrene reference standard are presented.

Applications of FT-IR spectrophotometry in cancer diagnostics.

PubMed

Bunaciu, Andrei A; Hoang, Vu Dang; Aboul-Enein, Hassan Y

2015-01-01

This review provides a brief background to the application of infrared spectroscopy, including Fourier transform-infrared spectroscopy, in biological fluids. It is not meant to be complete or exhaustive but to provide the reader with sufficient background for selected applications in cancer diagnostics. Fourier transform-infrared spectroscopy (FT-IR) is a fast and nondestructive analytical method. The infrared spectrum of a mixture serves as the basis to quantitate its constituents, and a number of common clinical chemistry tests have proven to be feasible using this approach. This review focuses on biomedical FT-IR applications, published in the period 2009-2013, used for early detection of cancer through qualitative and quantitative analysis.

Investigations of the functional states of dendritic cells under different conditioned microenvironments by Fourier transformed infrared spectroscopy.

PubMed

Dong, Rong; Long, Jinhua; Xu, Xiaoli; Zhang, Chunlin; Wen, Zongyao; Li, Long; Yao, Weijuan; Zeng, Zhu

2014-01-10

Dendritic cells are potent and specialized antigen presenting cells, which play a crucial role in initiating and amplifying both the innate and adaptive immune responses. The dendritic cell-based vaccination against cancer has been clinically achieved promising successes. But there are still many challenges in its clinical application, especially for how to identify the functional states. The CD14+ monocytes were isolated from human peripheral blood after plastic adherence and purified to approximately 98% with cocktail immunomagnetic beads. The immature dendritic cells and mature dendritic cells were induced by traditional protocols. The resulting dendritic cells were cocultured with normal cells and cancer cells. The functional state of dendritic cells including immature dendritic cells (imDCs) and mature dendritic cells (mDCs) under different conditioned microenvironments were investigated by Fourier transformed infrared spectroscopy (FTIR) and molecular biological methods. The results of Fourier transformed infrared spectroscopy showed that the gene transcription activity and energy states of dendritic cells were specifically suppressed by tumor cells (P < 0.05 or 0.01). The expression levels of NF-kappa B (NF-κB) in dendritic cells were also specifically inhibited by tumor-derived factors (P < 0.05 or 0.01). Moreover, the ratios of absorption intensities of Fourier transformed infrared spectroscopy at given wave numbers were closely correlated with the expression levels of NF-κB (R2:0.69 and R2:0.81, respectively). Our results confirmed that the ratios of absorption intensities of Fourier transformed infrared spectroscopy at given wave numbers were positively correlated with the expression levels of NF-κB, suggesting that Fourier transformed infrared spectroscopy technology could be clinically applied to identify the functional states of dendritic cell when performing dendritic cell-based vaccination. It's significant for the simplification and standardization of dendritic cell-based vaccination clinical preparation protocols.

Determination of Chlorinated Hydrocarbons in Water Using Highly Sensitive Mid-Infrared Sensor Technology

NASA Astrophysics Data System (ADS)

Lu, Rui; Mizaikoff, Boris; Li, Wen-Wei; Qian, Chen; Katzir, Abraham; Raichlin, Yosef; Sheng, Guo-Ping; Yu, Han-Qing

2013-08-01

Chlorinated aliphatic hydrocarbons and chlorinated aromatic hydrocarbons (CHCs) are toxic and carcinogenic contaminants commonly found in environmental samples, and efficient online detection of these contaminants is still challenging at the present stage. Here, we report an advanced Fourier transform infrared spectroscopy-attenuated total reflectance (FTIR-ATR) sensor for in-situ and simultaneous detection of multiple CHCs, including monochlorobenzene, 1,2-dichlorobenzene, 1,3-dichlorobenzene, trichloroethylene, perchloroethylene, and chloroform. The polycrystalline silver halide sensor fiber had a unique integrated planar-cylindric geometry, and was coated with an ethylene/propylene copolymer membrane to act as a solid phase extractor, which greatly amplified the analytical signal and contributed to a higher detection sensitivity compared to the previously reported sensors. This system exhibited a high detection sensitivity towards the CHCs mixture at a wide concentration range of 5~700 ppb. The FTIR-ATR sensor described in this study has a high potential to be utilized as a trace-sensitive on-line device for water contamination monitoring.

Linking biochemical perturbations in tissues of the African catfish to the presence of polycyclic aromatic hydrocarbons in Ovia River, Niger Delta region.

PubMed

Obinaju, Blessing E; Graf, Carola; Halsall, Crispin; Martin, Francis L

2015-06-01

Petroleum hydrocarbons including polycyclic aromatic hydrocarbons (PAHs) are a pollution issue in the Niger Delta region due to oil industry activities. PAHs were measured in the water column of the Ovia River with concentrations ranging from 0.1 to 1055.6 ng L(-1). Attenuated total reflection Fourier-transform infrared (ATR-FTIR) spectroscopy detected alterations in tissues of the African catfish (Heterobranchus bidorsalis) from the region showed varying degrees of statistically significant (P<0.0001, P<0.001, P<0.05) changes to absorption band areas and shifts in centroid positions of peaks. Alteration patterns were similar to those induced by benzo[a]pyrene in MCF-7 cells. These findings have potential health implications for resident local communities as H. bidorsalis constitutes a key nutritional source. The study provides supporting evidence for the sensitivity of infrared spectroscopy in environmental studies and supports their potential application in biomonitoring. Copyright © 2015 Elsevier Ltd. All rights reserved.

ATR-FTIR spectroscopy reveals polycyclic aromatic hydrocarbon contamination despite relatively pristine site characteristics: Results of a field study in the Niger Delta.

PubMed

Obinaju, Blessing E; Martin, Francis L

2016-01-01

Fourier-transform infrared (FTIR) spectroscopy is an emerging technique to detect biochemical alterations in biological tissues, particularly changes due to sub-lethal exposures to environmental contaminants. We have previously shown the potential of attenuated total reflection FTIR (ATR-FTIR) spectroscopy to detect real-time exposure to contaminants in sentinel organisms as well as the potential to relate spectral alterations to the presence of specific environmental agents. In this study based in the Niger Delta (Nigeria), changes occurring in fish tissues as a result of polycyclic aromatic hydrocarbon (PAH) exposure at contaminated sites are compared to the infrared (IR) spectra of the tissues obtained from a relatively pristine site. Multivariate analysis revealed that PAH contamination could be occurring at the pristine site, based on the IR spectra and significant (P<0.0001) differences between sites. The study provides evidence of the IR spectroscopy techniques' sensitivity and supports their potential application in environmental biomonitoring. Copyright © 2016 Elsevier Ltd. All rights reserved.

Determination of Chlorinated Hydrocarbons in Water Using Highly Sensitive Mid-Infrared Sensor Technology

PubMed Central

Lu, Rui; Mizaikoff, Boris; Li, Wen-Wei; Qian, Chen; Katzir, Abraham; Raichlin, Yosef; Sheng, Guo-Ping; Yu, Han-Qing

2013-01-01

Chlorinated aliphatic hydrocarbons and chlorinated aromatic hydrocarbons (CHCs) are toxic and carcinogenic contaminants commonly found in environmental samples, and efficient online detection of these contaminants is still challenging at the present stage. Here, we report an advanced Fourier transform infrared spectroscopy-attenuated total reflectance (FTIR-ATR) sensor for in-situ and simultaneous detection of multiple CHCs, including monochlorobenzene, 1,2-dichlorobenzene, 1,3-dichlorobenzene, trichloroethylene, perchloroethylene, and chloroform. The polycrystalline silver halide sensor fiber had a unique integrated planar-cylindric geometry, and was coated with an ethylene/propylene copolymer membrane to act as a solid phase extractor, which greatly amplified the analytical signal and contributed to a higher detection sensitivity compared to the previously reported sensors. This system exhibited a high detection sensitivity towards the CHCs mixture at a wide concentration range of 5~700 ppb. The FTIR-ATR sensor described in this study has a high potential to be utilized as a trace-sensitive on-line device for water contamination monitoring. PMID:23982222

Determination of chlorinated hydrocarbons in water using highly sensitive mid-infrared sensor technology.

PubMed

Lu, Rui; Mizaikoff, Boris; Li, Wen-Wei; Qian, Chen; Katzir, Abraham; Raichlin, Yosef; Sheng, Guo-Ping; Yu, Han-Qing

2013-01-01

Chlorinated aliphatic hydrocarbons and chlorinated aromatic hydrocarbons (CHCs) are toxic and carcinogenic contaminants commonly found in environmental samples, and efficient online detection of these contaminants is still challenging at the present stage. Here, we report an advanced Fourier transform infrared spectroscopy-attenuated total reflectance (FTIR-ATR) sensor for in-situ and simultaneous detection of multiple CHCs, including monochlorobenzene, 1,2-dichlorobenzene, 1,3-dichlorobenzene, trichloroethylene, perchloroethylene, and chloroform. The polycrystalline silver halide sensor fiber had a unique integrated planar-cylindric geometry, and was coated with an ethylene/propylene copolymer membrane to act as a solid phase extractor, which greatly amplified the analytical signal and contributed to a higher detection sensitivity compared to the previously reported sensors. This system exhibited a high detection sensitivity towards the CHCs mixture at a wide concentration range of 5~700 ppb. The FTIR-ATR sensor described in this study has a high potential to be utilized as a trace-sensitive on-line device for water contamination monitoring.

Univariate and multivariate analysis of tannin-impregnated wood species using vibrational spectroscopy.

PubMed

Schnabel, Thomas; Musso, Maurizio; Tondi, Gianluca

2014-01-01

Vibrational spectroscopy is one of the most powerful tools in polymer science. Three main techniques--Fourier transform infrared spectroscopy (FT-IR), FT-Raman spectroscopy, and FT near-infrared (NIR) spectroscopy--can also be applied to wood science. Here, these three techniques were used to investigate the chemical modification occurring in wood after impregnation with tannin-hexamine preservatives. These spectroscopic techniques have the capacity to detect the externally added tannin. FT-IR has very strong sensitivity to the aromatic peak at around 1610 cm(-1) in the tannin-treated samples, whereas FT-Raman reflects the peak at around 1600 cm(-1) for the externally added tannin. This high efficacy in distinguishing chemical features was demonstrated in univariate analysis and confirmed via cluster analysis. Conversely, the results of the NIR measurements show noticeable sensitivity for small differences. For this technique, multivariate analysis is required and with this chemometric tool, it is also possible to predict the concentration of tannin on the surface.

Fourier transform near-infrared spectroscopy application for sea salt quality evaluation.

PubMed

Galvis-Sánchez, Andrea C; Lopes, João Almeida; Delgadillo, Ivonne; Rangel, António O S S

2011-10-26

Near-infrared (NIR) spectroscopy in diffuse reflectance mode was explored with the objective of discriminating sea salts according to their quality type (traditional salt vs "flower of salt") and geographical origin (Atlantic vs Mediterranean). Sea salts were also analyzed in terms of Ca(2+), Mg(2+), K(+), alkalinity, and sulfate concentrations to support spectroscopic results. High concentrations of Mg(2+) and K(+) characterized Atlantic samples, while a high Ca(2+) content was observed in traditional sea salts. A partial least-squares discriminant analysis model considering the 8500-7500 cm(-1) region permitted the discrimination of salts by quality types. The regions 4650-4350 and 5900-5500 cm(-1) allowed salts classification according to their geographical origin. It was possible to classify correctly 85.3 and 94.8% of the analyzed samples according to the salt type and to the geographical origin, respectively. These results demonstrated that NIR spectroscopy is a suitable and very efficient tool for sea salt quality evaluation.

Authentication of the botanical and geographical origin of honey by mid-infrared spectroscopy.

PubMed

Ruoff, Kaspar; Luginbühl, Werner; Künzli, Raphael; Iglesias, María Teresa; Bogdanov, Stefan; Bosset, Jacques Olivier; von der Ohe, Katharina; von der Ohe, Werner; Amado, Renato

2006-09-06

The potential of Fourier transform mid-infrared spectroscopy (FT-MIR) using an attenuated total reflectance (ATR) cell was evaluated for the authentication of 11 unifloral (acacia, alpine rose, chestnut, dandelion, heather, lime, rape, fir honeydew, metcalfa honeydew, oak honeydew) and polyfloral honey types (n = 411 samples) previously classified with traditional methods such as chemical, pollen, and sensory analysis. Chemometric evaluation of the spectra was carried out by applying principal component analysis and linear discriminant analysis, the error rates of the discriminant models being calculated by using Bayes' theorem. The error rates ranged from <0.1% (polyfloral and heather honeys as well as honeydew honeys from metcalfa, oak, and fir) to 8.3% (alpine rose honey) in both jackknife classification and validation, depending on the honey type considered. This study indicates that ATR-MIR spectroscopy is a valuable tool for the authentication of the botanical origin and quality control and may also be useful for the determination of the geographical origin of honey.

Influence of short chain organic acids and bases on the wetting properties and surface energy of submicrometer ceramic powders.

PubMed

Neirinck, Bram; Soccol, Dimitri; Fransaer, Jan; Van der Biest, Omer; Vleugels, Jef

2010-08-15

The effect of short chained organic acids and bases on the surface energy and wetting properties of submicrometer alumina powder was assessed. The surface chemistry of treated powders was determined by means of Diffuse Reflectance Infrared Fourier Transform spectroscopy and compared to untreated powder. The wetting of powders was measured using a modified Washburn method, based on the use of precompacted powder samples. The geometric factor needed to calculate the contact angle was derived from measurements of the porous properties of the powder compacts. Contact angle measurements with several probe liquids before and after modification allowed a theoretical estimation of the surface energy based on the surface tension component theory. Trends in the surface energy components were linked to observations in infrared spectra. The results showed that the hydrophobic character of the precompacted powder depends on both the chain length and polar group of the modifying agent. Copyright 2010 Elsevier Inc. All rights reserved.

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

Burns, Donald A.

A method of detecting counterfeit currency by contacting the currency to be tested with near infrared beams in the spectrum below 1250 namometers, measuring reflectance of the near infrared beams and comparing the reflectance values with those from genuine currency.

Design on compatible stealth photonic crystal of nearmiddle infrared and 1.06 μm laser

NASA Astrophysics Data System (ADS)

Zhang, Ji-kui; Wang, Jia-Chun; Wang, Qi-Chao

2016-01-01

In the near and middle infrared atmospheric window, infrared stealth material require a low absorptivity (which means a low emissivity according to Kirchhoff's law of black body), at the same time, it also requires high absorptivity so as to decrease the reflectance at military laser wavelength of 1.06μm. Under this circumstances, compatible stealth of infrared and laser is an urgent demand, but the demand is ambivalent for conventional materials. Photonic crystal (PC), as a new type of artificial periodic structure function material, can realize broadband thermal infrared stealth based on its high-reflection photon forbidden band(also called photonic band gap). The high-reflection photon forbidden band of PC can be adjusted to near and middle infrared wave band through some rational methods. When a defect was added into the periodic structure of PC, a "hole-digging" reflection spectrum, which is high absorption at military laser wavelength of 1.06μm, can be achieved, so compatible stealth of near and middle infrared and military laser wavelength of 1.06μm can be achieved too. In this paper, we selected near and middle infrared-transparent materials, Te and MgF2 , as high refractive index and low refractive index material respectively, and designed a one-dimensional one-defect-mode PC whose photon forbidden band was broadened to 1-5μm by constructing two photonic crystals into one. The optical property of the PC was calculated by Transfer matrix method(TMM) of thin-film optical theory, and the results shows that the as-designed PC has a high spectral reflectance in the near and middle infrared band, among which the reflectivity in 1.68μm 5.26μm band reached more than 90%, and the 2.48 5.07μm band even reached 99.99%. The result also shows that between the band gap of 1-5μm, there are one defect mode locating in the wavelength of 1.06μm, whose reflectance is below 0.70%, which means its spectral absorptivity is greater than 99.30%. All the above we have discussed proved that this "hole-digging spectrum" PC can realize the compatible stealth of near and middle infrared and 1.06μm military laser.

Method for determining and displaying the spacial distribution of a spectral pattern of received light

DOEpatents

Bennett, Charles L.

1996-01-01

An imaging Fourier transform spectrometer (10, 210) having a Fourier transform infrared spectrometer (12) providing a series of images (40) to a focal plane array camera (38). The focal plane array camera (38) is clocked to a multiple of zero crossing occurrences as caused by a moving mirror (18) of the Fourier transform infrared spectrometer (12) and as detected by a laser detector (50) such that the frame capture rate of the focal plane array camera (38) corresponds to a multiple of the zero crossing rate of the Fourier transform infrared spectrometer (12). The images (40) are transmitted to a computer (45) for processing such that representations of the images (40) as viewed in the light of an arbitrary spectral "fingerprint" pattern can be displayed on a monitor (60) or otherwise stored and manipulated by the computer (45).

Non-invasive identification of organic materials in historical stringed musical instruments by reflection infrared spectroscopy: a methodological approach.

PubMed

Invernizzi, Claudia; Daveri, Alessia; Vagnini, Manuela; Malagodi, Marco

2017-05-01

The analysis of historical musical instruments is becoming more relevant and the interest is increasingly moving toward the non-invasive reflection FTIR spectroscopy, especially for the analysis of varnishes. In this work, a specific infrared reflectance spectral library of organic compounds was created with the aim of identifying musical instrument materials in a totally non-invasive way. The analyses were carried out on pure organic compounds, as bulk samples and laboratory wooden models, to evaluate the diagnostic reflection mid-infrared (MIR) bands of proteins, polysaccharides, lipids, and resins by comparing reflection spectra before and after the KK correction. This methodological approach was applied to real case studies represented by four Stradivari violins and a Neapolitan mandolin.

Chemical Weapons Treaty Technologies Reference Collection - 1997 Supplement

DTIC Science & Technology

1999-11-01

INFRARED SPECTROSCOPY (FTIR). EDGEWOOD...102034 CB-102751 CB-102954 CB-103165 FIRST REVIEW CONFERENCE CB-103294 FLOW SCHEMATICS CB-103106 FOURIER TRANSFORM INFRARED SPECTROSCOPY CB... INFRARED SPECTROSCOPY CB-100365 CB-101343 CB-102248 CB-102715 CB-102759 CB-102768 CB-102805 CB-102880 INFRARED SPECTROSCOPY (Continued)

Application of infrared spectroscopy in the identification of Ewing sarcoma: A preliminary report

NASA Astrophysics Data System (ADS)

Chaber, Radosław; Łach, Kornelia; Szmuc, Kamil; Michalak, Elżbieta; Raciborska, Anna; Mazur, Damian; Machaczka, Maciej; Cebulski, Józef

2017-06-01

Fourier transform infrared (FTIR) spectroscopy is a highly sensitive, non-invasive analytical technique that can provide information about molecular changes in a biological sample. FTIR spectrum is a sum of the frequencies of many biomolecules which reveals a biochemical fingerprint for mineral identification, and can be analyzed for information about the mineral structure of malignant cells. This gives us the potential to differentiate tumor cells from normal cells in the early stage of relapse, before the tumor cells would be detectable in light microscopy. Ewing sarcoma (ES) is the second most common malignant bone tumor found in children and adolescents. ES affects annually almost 3 persons/1,000,000 mostly children and young adults under 20 years of age annually. ES originates from primitive, low-differentiated neuroectodermal cells. The current standard of therapy for ES is the surgical resection of the primary tumor and metastasis in combination with the chemo- and radiotherapy. The aim of this study was to compare the spectra of ES bone samples and the spectra of normal bone tissues, analyzed before and after induction chemotherapy, by means of FTIR spectroscopy. Six patients with ES affecting bones aged 5.5-16.5 years (median age 11.2 years), who were treated between 2011 and 2015, were included to the study. In all analyzed patients, the diagnosis of ES and the assessment of response to the chemotherapy were performed according to the Euro-EWING-2008 protocol. The Fourier transform infrared spectroscope (FT-IR; Vertex 70v from Bruker) was used in this study. Tissue specimens were applied to the attenuated total reflection (ATR) in the infrared (IR) radiation from the mid-infrared range using a single-reflection snap ATR crystal diamond. In the FTIR spectra we observed a shift in the wave number of the phosphate ion (from 3 to 26 [cm-1]) associated with the presence of tumor tissue. After chemotherapy, a change of the FTIR spectrum was associated with the ES's histopathological response. In patients with a high ratio of the necrotic cells in the tumor (>90% of cells) after chemotherapy, we showed a shift of the peak ⧹ absorption bands to the higher wave numbers. In contrast, in patients with a poor chemotherapy response (<30% of necrotic cells in the tumor), we observed a decline in the peak absorption bands to the lower wave numbers. The results showed that analysis of the spectrum changes of tissue specimens in ES can be helpful in the assessment of clinical response to cancer therapy. It seems that FTIR spectroscopy is a valuable tool for his purpose. The issue awaits full elucidation in further studies on larger groups of patients with ES.

Senegalese land surface change analysis and biophysical parameter estimation using NOAA AVHRR spectral data

NASA Technical Reports Server (NTRS)

Vukovich, Fred M.; Toll, David L.; Kennard, Ruth L.

1989-01-01

Surface biophysical estimates were derived from analysis of NOAA Advanced Very High Spectral Resolution (AVHRR) spectral data of the Senegalese area of west Africa. The parameters derived were of solar albedo, spectral visible and near-infrared band reflectance, spectral vegetative index, and ground temperature. Wet and dry linked AVHRR scenes from 1981 through 1985 in Senegal were analyzed for a semi-wet southerly site near Tambacounda and a predominantly dry northerly site near Podor. Related problems were studied to convert satellite derived radiance to biophysical estimates of the land surface. Problems studied were associated with sensor miscalibration, atmospheric and aerosol spatial variability, surface anisotropy of reflected radiation, narrow satellite band reflectance to broad solar band conversion, and ground emissivity correction. The middle-infrared reflectance was approximated with a visible AVHRR reflectance for improving solar albedo estimates. In addition, the spectral composition of solar irradiance (direct and diffuse radiation) between major spectral regions (i.e., ultraviolet, visible, near-infrared, and middle-infrared) was found to be insensitive to changes in the clear sky atmospheric optical depth in the narrow band to solar band conversion procedure. Solar albedo derived estimates for both sites were not found to change markedly with significant antecedent precipitation events or correspondingly from increases in green leaf vegetation density. The bright soil/substrate contributed to a high albedo for the dry related scenes, whereas the high internal leaf reflectance in green vegetation canopies in the near-infrared contributed to high solar albedo for the wet related scenes. The relationship between solar albedo and ground temperature was poor, indicating the solar albedo has little control of the ground temperature. The normalized difference vegetation index (NDVI) and the derived visible reflectance were more sensitive to antecedent rainfall amounts and green vegetation changes than were near-infrared changes. The information in the NDVI related to green leaf density changes primarily was from the visible reflectance. The contribution of the near-infrared reflectance to explaining green vegetation is largely reduced when there is a bright substrate.

Rapid differentiation of Listeria monocytogenes epidemic clones III and IV and their intact compared with heat-killed populations using Fourier transform infrared spectroscopy and chemometrics.

PubMed

Nyarko, Esmond B; Puzey, Kenneth A; Donnelly, Catherine W

2014-06-01

The objectives of this study were to determine if Fourier transform infrared (FT-IR) spectroscopy and multivariate statistical analysis (chemometrics) could be used to rapidly differentiate epidemic clones (ECs) of Listeria monocytogenes, as well as their intact compared with heat-killed populations. FT-IR spectra were collected from dried thin smears on infrared slides prepared from aliquots of 10 μL of each L. monocytogenes ECs (ECIII: J1-101 and R2-499; ECIV: J1-129 and J1-220), and also from intact and heat-killed cell populations of each EC strain using 250 scans at a resolution of 4 cm(-1) in the mid-infrared region in a reflectance mode. Chemometric analysis of spectra involved the application of the multivariate discriminant method for canonical variate analysis (CVA) and linear discriminant analysis (LDA). CVA of the spectra in the wavelength region 4000 to 600 cm(-1) separated the EC strains while LDA resulted in a 100% accurate classification of all spectra in the data set. Further, CVA separated intact and heat-killed cells of each EC strain and there was 100% accuracy in the classification of all spectra when LDA was applied. FT-IR spectral wavenumbers 1650 to 1390 cm(-1) were used to separate heat-killed and intact populations of L. monocytogenes. The FT-IR spectroscopy method allowed discrimination between strains that belong to the same EC. FT-IR is a highly discriminatory and reproducible method that can be used for the rapid subtyping of L. monocytogenes, as well as for the detection of live compared with dead populations of the organism. Fourier transform infrared (FT-IR) spectroscopy and multivariate statistical analysis can be used for L. monocytogenes source tracking and for clinical case isolate comparison during epidemiological investigations since the method is capable of differentiating epidemic clones and it uses a library of well-characterized strains. The FT-IR method is potentially less expensive and more rapid compared to genetic subtyping methods, and can be used for L. monocytogenes strain typing by food industries and public health agencies to enable faster response and intervention to listeriosis outbreaks. FT-IR can also be applied for routine monitoring of the pathogen in food processing plants and for investigating postprocessing contamination because it is capable of differentiating heat-killed and viable L. monocytogenes populations. © 2014 Institute of Food Technologists®

Rapid identification and classification of Listeria spp. and serotype assignment of Listeria monocytogenes using fourier transform-infrared spectroscopy and artificial neural network analysis

USDA-ARS?s Scientific Manuscript database

The use of Fourier Transform-Infrared Spectroscopy (FT-IR) in conjunction with Artificial Neural Network software, NeuroDeveloper™ was examined for the rapid identification and classification of Listeria species and serotyping of Listeria monocytogenes. A spectral library was created for 245 strains...

COMPARISON OF AN INNOVATIVE NONLINEAR ALGORITHM TO CLASSICAL LEAST SQUARES FOR ANALYZING OPEN-PATH FOURIER TRANSFORM INFRARED SPECTRA COLLECTED AT A CONCENTRATED SWINE PRODUCTION FACILITY

EPA Science Inventory

Open-path Fourier transform infrared (OP/FTIR) spectrometry was used to measure the concentrations of ammonia, methane, and other atmospheric gases at an integrated swine production facility. The concentration-pathlength products of the target gases at this site often exceeded th...

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...

“Self-absorption” phenomenon in near-infrared Fourier transform Raman spectroscopy of cellulosic and lignocellulosic materials

Treesearch

Umesh P. Agarwal; Nancy Kawai

2005-01-01

While cellulosic and lignocellulosic materials have been studied using conventional Raman spectroscopy, availability of near-infrared (NIR) Fourier transform (FT) Raman instrumentation has made studying these materials much more convenient. This is especially true because the problem of laser-induced fluorescence can be avoided or minimized in FT- Raman (NIR Raman)...

Fourier transform infrared microspectroscopy for the analysis of the biochemical composition of C. elegans worms.

PubMed

Sheng, Ming; Gorzsás, András; Tuck, Simon

2016-01-01

Changes in intermediary metabolism have profound effects on many aspects of C. elegans biology including growth, development and behavior. However, many traditional biochemical techniques for analyzing chemical composition require relatively large amounts of starting material precluding the analysis of mutants that cannot be grown in large amounts as homozygotes. Here we describe a technique for detecting changes in the chemical compositions of C. elegans worms by Fourier transform infrared microspectroscopy. We demonstrate that the technique can be used to detect changes in the relative levels of carbohydrates, proteins and lipids in one and the same worm. We suggest that Fourier transform infrared microspectroscopy represents a useful addition to the arsenal of techniques for metabolic studies of C. elegans worms.

Effects of the Hydration State on the Mid-Infrared Spectra of Urea and Creatinine in Relation to Urine Analyses

PubMed Central

Oliver, Katherine V.; Maréchal, Amandine

2016-01-01

When analyzing solutes by Fourier transform infrared (FT-IR) spectroscopy in attenuated total reflection (ATR) mode, drying of samples onto the ATR crystal surface can greatly increase solute band intensities and, therefore, aid detection of minor components. However, analysis of such spectra is complicated by the existence of alternative partial hydration states of some substances that can significantly alter their infrared signatures. This is illustrated here with urea, which is a dominant component of urine. The effects of hydration state on its infrared spectrum were investigated both by incubation in atmospheres of fixed relative humidities and by recording serial spectra during the drying process. Significant changes of absorption band positions and shapes were observed. Decomposition of the CN antisymmetric stretching (νas) band in all states was possible with four components whose relative intensities varied with hydration state. These correspond to the solution (1468 cm–1) and dry (1464 cm–1) states and two intermediate (1454 cm–1 and 1443 cm–1) forms that arise from specific urea–water and/or urea–urea interactions. Such intermediate forms of other compounds can also be formed, as demonstrated here with creatinine. Recognition of these states and their accommodation in analyses of materials such as dried urine allows more precise decomposition of spectra so that weaker bands of diagnostic interest can be more accurately defined. PMID:27170705

Continuous glucose determination using fiber-based tunable mid-infrared laser spectroscopy

NASA Astrophysics Data System (ADS)

Yu, Songlin; Li, Dachao; Chong, Hao; Sun, Changyue; Xu, Kexin

2014-04-01

Wavelength-tunable laser spectroscopy in combination with a small-sized fiber-optic attenuated total reflection (ATR) sensor (fiber-based evanescent field analysis, FEFA) is reported for the continuous measurement of the glucose level. We propose a method of controlling and stabilizing the wavelength and power of laser emission and present a newly developed mid-infrared wavelength-tunable laser with a broad emission spectrum band of 9.19-9.77 μm (1024-1088 cm-1). The novel small-sized flow-through fiber-optic ATR sensor with long optical sensing length was used for glucose level determination. The experimental results indicate that the noise-equivalent concentration of this laser measurement system is as low as 3.8 mg/dL, which is among the most precise glucose measurements using mid-infrared spectroscopy. The sensitivity, which is three times that of conventional Fourier transform infrared spectrometer, was acquired because of the higher laser power and higher spectral resolution. The best prediction of the glucose concentration in phosphate buffered saline solution was achieved using the five-variable partial least-squares model, yielding a root-mean-square error of prediction as small as 3.5 mg/dL. The high sensitivity, multiple tunable wavelengths and small fiber-based sensor with long optical sensing length make glucose determination possible in blood or interstitial fluid in vivo.

Temperature and evaporative water loss of leaf-sitting frogs: the role of reflection spectra

PubMed Central

Blount, Chris; Dickinson, Mark

2016-01-01

ABSTRACT The near infrared reflection peak in some frogs has been speculated to be either for enhancing crypticity, or to help them with thermoregulation. The theoretical background for the thermoregulatory processes has been established before, but little consideration has been given to the contribution from the frogs' reflection spectra differences. In this investigation, the reflection spectra from a range of different species of frogs were taken and combined with precise surface area measurements of frogs and an approximation to the mass transfer coefficient of agar frog models. These were then used to simulate the temperature and water evaporation in anurans with and without the near infrared reflective peak. We have shown that the presence of the near infrared reflection peak can contribute significantly to the temperature and evaporative water loss of a frog. The significance of the steady-state temperature differences between frogs with and without the near infrared reflection peak is discussed in a realistic and an extreme scenario. Temperature differences of up to 3.2°C were found, and the rehydration period was increased by up to 16.7%, although this does not reduce the number of rehydration events between dawn and dusk. PMID:27793832

The near-infrared continuum emission of visual reflection nebulae

NASA Technical Reports Server (NTRS)

Sellgren, K.

1984-01-01

In the past, reflection nebulae have provided an astrophysical laboratory well suited for the study of the reflection properties of interstellar dust grains at visual and ultraviolet wavelengths. The present investigation is concerned with observations which were begun with the objective to extend to near-infrared wavelengths the study of grains in reflection. Observations of three classical visual reflection nebulae were conducted in the wavelength range from 1.25 to 2.2 microns, taking into account NGC 7023, 2023, and 2068. All three nebulae were found to have similar near-infrared colors, despite widely different colors of their illuminating stars. The brightness level shown by two of the nebulae at 2.2 microns was too high to be easily accounted for on the basis of reflected light. Attention is given to a wide variety of possible emission mechanisms.

Process of preparing metal parts to be heated by means of infrared radiance

DOEpatents

Mayer, Howard Robinson [Cincinnati, OH; Blue, Craig A [Knoxville, TN

2009-06-09

A method for preparing metal for heating by infrared radiance to enable uniform and consistent heating. The surface of one or more metal parts, such as aluminum or aluminum alloy parts, is treated to alter the surface finish to affect the reflectivity of the surface. The surface reflectivity is evaluated, such as by taking measurements at one or more points on the surface, to determine if a desired reflectivity has been achieved. The treating and measuring are performed until the measuring indicates that the desired reflectivity has been achieved. Once the treating has altered the surface finish to achieve the desired reflectivity, the metal part may then be exposed to infrared radiance to heat the metal part to a desired temperature, and that heating will be substantially consistent throughout by virtue of the desired reflectivity.

Infrared Investigations.

ERIC Educational Resources Information Center

Lascours, Jean; Albe, Virginie

2001-01-01

Describes a series of simple and nontraditional experiments that enable students to discover the properties of infrared radiation by studying the propagation, reflection, diffusion, and refraction of infrared. The experiments rely on two modules, an infrared transmitter and an infrared receiver. (SAH)

Photoelectric sensor output controlled by eyeball movements

NASA Technical Reports Server (NTRS)

1965-01-01

The difference between the infrared absorption of the iris and infrared reflectivity of the eyeball controls the operation of a device consisting of an infrared source and amplifier, a cadmium selenide infrared sensor, and an infrared filter.

Real time infrared aerosol analyzer

DOEpatents

Johnson, Stanley A.; Reedy, Gerald T.; Kumar, Romesh

1990-01-01

Apparatus for analyzing aerosols in essentially real time includes a virtual impactor which separates coarse particles from fine and ultrafine particles in an aerosol sample. The coarse and ultrafine particles are captured in PTFE filters, and the fine particles impact onto an internal light reflection element. The composition and quantity of the particles on the PTFE filter and on the internal reflection element are measured by alternately passing infrared light through the filter and the internal light reflection element, and analyzing the light through infrared spectrophotometry to identify the particles in the sample.

Combined theory of reflectance and emittance spectroscopy

NASA Technical Reports Server (NTRS)

Hapke, Bruce

1995-01-01

The theory in which either or both reflected sunlight and thermally emitted radiation contribute to the power received by a detector viewing a particulate medium, such as a powder in the laboratory or a planetary regolith, is considered theoretically. This theory is of considerable interest for the interpretation of data from field or spacecraft instruments that are sensitive to the near-infrared region of the spectrum, such as NIMS (near-infrared mapping spectrometer) and VIMS (visual and infrared mapping spectrometer), as well as thermal infrared detectors.

[Study on different extracts of Chrysanthemum indicum by Fourier transform infrared spectroscopy].

PubMed

Zhang, Yan-Ling; Xia, Yuan; Tsogt; Zhou, Qun; Sun, Su-Qin

2012-12-01

According to the macro-fingerprint characteristic of infrared spectroscopy, Fourier transform infrared spectroscopy and second-derivative infrared spectroscopy were used to analyze the extracts of chrysanthemum indicum L. by different solvents. It was speculated preliminarily that the main component of petroleum ether extract was long chain fatty acids (esters) and terpenes of small molecules, ethyl acetate extract contains terpenes and flavonoids mainly, ethanol and 95% ethanol extract was mainly composed of flavonoids and flavonoid glycosides, and deionized water extract contains polysaccharides and tannins mainly. Besides, the content of flavonoids in ethanol extract is the highest by comparison of the infrared spectroscopy of different extracts with that of buddleoside. Thus, the infrared spectroscopy can analyze directly the extracts of traditional Chinese medicines, recognize the main ingredient preliminarily, and then supply directional reference for further planning the extract scheme and detection methods.

Infrared spectroscopic characterization of dehydration and accompanying phase transition behaviors in NAT-topology zeolites

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

Wang, Hsiu-Wen; Bishop, David

2012-01-01

Relative humidity (PH2O, partial pressure of water)-dependent dehydration and accompanying phase transitions in NAT-topology zeolites (natrolite, scolecite, and mesolite) were studied under controlled temperature and known PH2O conditions by in situ diffuse-reflectance infrared Fourier transform spectroscopy and parallel X-ray powder diffraction. Dehydration was characterized by the disappearance of internal H2O vibrational modes. The loss of H2O molecules caused a sequence of structural transitions in which the host framework transformation path was coupled primarily via the thermal motion of guest Na?/Ca2? cations and H2O molecules. The observation of different interactions of H2O molecules and Na?/Ca2? cations with host aluminosilicate frameworks undermore » highand low-PH2O conditions indicated the development of different local strain fields, arising from cation H2O interactions in NAT-type channels. These strain fields influence the Si O/Al O bond strength and tilting angles within and between tetrahedra as the dehydration temperature is approached. The newly observed infrared bands (at 2,139 cm-1 in natrolite, 2,276 cm-1 in scolecite, and 2,176 and 2,259 cm-1 in mesolite) result from strong cation H2O Al Si framework interactions in NAT-type channels, and these bands can be used to evaluate the energetic evolution of Na?/Ca2? cations before and after phase transitions, especially for scolecite and mesolite. The 2,176 and 2,259 cm-1 absorption bands in mesolite also appear to be related to Na?/Ca2? order disorder that occur when mesolite loses its Ow4 H2O molecules.« less

High-Throughput Metabolic Fingerprinting of Legume Silage Fermentations via Fourier Transform Infrared Spectroscopy and Chemometrics

PubMed Central

Johnson, Helen E.; Broadhurst, David; Kell, Douglas B.; Theodorou, Michael K.; Merry, Roger J.; Griffith, Gareth W.

2004-01-01

Silage quality is typically assessed by the measurement of several individual parameters, including pH, lactic acid, acetic acid, bacterial numbers, and protein content. The objective of this study was to use a holistic metabolic fingerprinting approach, combining a high-throughput microtiter plate-based fermentation system with Fourier transform infrared (FT-IR) spectroscopy, to obtain a snapshot of the sample metabolome (typically low-molecular-weight compounds) at a given time. The aim was to study the dynamics of red clover or grass silage fermentations in response to various inoculants incorporating lactic acid bacteria (LAB). The hyperspectral multivariate datasets generated by FT-IR spectroscopy are difficult to interpret visually, so chemometrics methods were used to deconvolute the data. Two-phase principal component-discriminant function analysis allowed discrimination between herbage types and different LAB inoculants and modeling of fermentation dynamics over time. Further analysis of FT-IR spectra by the use of genetic algorithms to identify the underlying biochemical differences between treatments revealed that the amide I and amide II regions (wavenumbers of 1,550 to 1,750 cm−1) of the spectra were most frequently selected (reflecting changes in proteins and free amino acids) in comparisons between control and inoculant-treated fermentations. This corresponds to the known importance of rapid fermentation for the efficient conservation of forage proteins. PMID:15006782

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.

Fourier transform infrared spectroscopy study on order-disorder transition in Langmuir-Blodgett films of 7-(2-octadecyloxycarbonylethyl)guanine before and after recognition to cytidine

NASA Astrophysics Data System (ADS)

Miao, Wangen; Luo, Xuzhong; Wu, Sanxie; Liang, Yingqiu

2004-01-01

Order-disorder transitions of 9-monolayer Langmuir-Blodgett (LB) films of 7-(2-octadecyloxycarbonylethyl)guanine (ODCG) before and after recognition to cytidine were investigated by Fourier transform infrared (FTIR) spectroscopy. The different order-disorder transitions suggest that molecular recognition between ODCG and cytidine influence these two LB films on the order-disorder process of alkyl tailchain. Cleavage of the multi-hydrogen bonds was also observed by the infrared spectroscopy at elevated temperature.

Fourier transform infrared spectroscopy study on order-disorder transition in Langmuir-Blodgett films of 7-(2-octadecyloxycarbonylethyl)guanine before and after recognition to cytidine.

PubMed

Miao, Wangen; Luo, Xuzhong; Wu, Sanxie; Liang, Yingqiu

2004-01-01

Order-disorder transitions of 9-monolayer Langmuir-Blodgett (LB) films of 7-(2-octadecyloxycarbonylethyl)guanine (ODCG) before and after recognition to cytidine were investigated by Fourier transform infrared (FTIR) spectroscopy. The different order-disorder transitions suggest that molecular recognition between ODCG and cytidine influence these two LB films on the order-disorder process of alkyl tailchain. Cleavage of the multi-hydrogen bonds was also observed by the infrared spectroscopy at elevated temperature.

Fourier-transform infrared derivative spectroscopy with an improved signal-to-noise ratio.

PubMed

Fetterman, M R

2005-09-01

Infrared derivative spectroscopy is a useful technique for finding peaks hidden in broad spectral features. A data acquisition technique is shown that will improve the signal-to-noise ratio (SNR) of Fourier-transform infrared (FTIR) derivative spectroscopy. Typically, in a FTIR measurement one samples each point for the same time interval. The effect of using a graded time interval is studied. The simulations presented show that the SNR of first-derivative FTIR spectroscopy will improve by 15% and that the SNR of second-derivative FTIR will improve by 34%.

Canopy reflectance related to marsh dieback onset and progression in Coastal Louisiana

USGS Publications Warehouse

Ramsey, Elijah W.; Rangoonwala, A.

2006-01-01

In this study, we extended previous work linking leaf spectral changes, dieback onset, and progression of Spartina alterniflora marshes to changes in site-specific canopy reflectance spectra. First, we obtained canopy reflectance spectra (approximately 20 m ground resolution) from the marsh sites occupied during the leaf spectral analyses and from additional sites exhibiting visual signs of dieback. Subsequently, the canopy spectra were analyzed at two spectral scales: the first scale corresponded to whole-spectra sensors, such as the NASA Earth Observing-1 (EO-1) Hyperion, and the second scale corresponded to broadband spectral sensors, such as the EO-1 Advanced Land Imager and the Landsat Enhanced Thematic Mapper. In the whole-spectra analysis, spectral indicators were generated from the whole canopy spectra (about 400 nm to 1,000 nm) by extracting typical dead and healthy marsh spectra, and subsequently using them to determine the percent composition of all canopy reflectance spectra. Percent compositions were then used to classify canopy spectra at each field site into groups exhibiting similar levels of dieback progression ranging from relatively healthy to completely dead. In the broadband reflectance analysis, blue, green, red, red-edge, and near infrared (NIR) spectral bands and NIR/green and NIR/red transforms were extracted from the canopy spectra. Spectral band and band transform indicators of marsh dieback and progression were generated by relating them to marsh status indicators derived from classifications of the 35 mm slides collected at the same time as the canopy reflectance recordings. The whole spectra and broadband spectral indicators were both able to distinguish (a) healthy marsh, (b) live marsh impacted by dieback, and (c) dead marsh, and they both provided some discrimination of dieback progression. Whole-spectra resolution sensors like the EO-1 Hyperion, however, offered an enhanced ability to categorize dieback progression. ?? 2006 American Society for Photogrammetry and Remote Sensing.

Formation of nanostructured silicon surfaces by stain etching

PubMed Central

2014-01-01

In this work, we report the fabrication of ordered silicon structures by chemical etching of silicon in vanadium oxide (V2O5)/hydrofluoric acid (HF) solution. The effects of the different etching parameters including the solution concentration, temperature, and the presence of metal catalyst film deposition (Pd) on the morphologies and reflective properties of the etched Si surfaces were studied. Scanning electron microscopy (SEM) was carried out to explore the morphologies of the etched surfaces with and without the presence of catalyst. In this case, the attack on the surfaces with a palladium deposit begins by creating uniform circular pores on silicon in which we distinguish the formation of pyramidal structures of silicon. Fourier transform infrared spectroscopy (FTIR) demonstrates that the surfaces are H-terminated. A UV-Vis-NIR spectrophotometer was used to study the reflectance of the structures obtained. A reflectance of 2.21% from the etched Si surfaces in the wavelength range of 400 to 1,000 nm was obtained after 120 min of etching while it is of 4.33% from the Pd/Si surfaces etched for 15 min. PMID:25435830

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

Molecular basis of structural makeup of hulless barley in relation to rumen degradation kinetics and intestinal availability in dairy cattle: A novel approach.

PubMed

Damiran, D; Yu, P

2011-10-01

To date, no study has been done of molecular structures in relation to nutrient degradation kinetics and intestinal availability in dairy cattle. The objectives of this study were to (1) reveal molecular structures of hulless barley affected by structural alteration using molecular spectroscopy (diffuse reflectance infrared Fourier transform) as a novel approach, and (2) quantify structure features on a molecular basis in relation to digestive kinetics and nutritive value in the rumen and intestine in cattle. The modeled feeds in this study were 4 types of hulless barley (HB) cultivars modified in starch traits: (a) normal starch cultivar, (b) zero-amylose waxy, (c) waxy, and (d) high-amylose. The molecular structural features were determined using diffuse reflectance infrared Fourier transform spectroscopy in the mid-infrared region (ca. 4,000-800 cm(-1)) of the electromagnetic spectrum. The items assessed included infrared intensity attributed to protein amide I (ca. 1,715-1,575 cm(-1)), amide II (ca. 1,575-1,490 cm(-1)), α-helix (ca. 1,648-1,660 cm(-1)), β-sheet (ca. 1,625-1,640 cm(-1)), and their ratio, β-glucan (ca. 1,445-1,400 cm(-1)), total carbohydrates (CHO; ca. 1,188-820 cm(-1)) and their 3 major peaks, structural carbohydrates (ca. 1,277-1,190 cm(-1)), and ratios of amide I to II and amide I to CHO. The results show that (1) the zero-amylose waxy was the greatest in amide I and II peak areas, as well as in the ratio of protein amide I to CHO among HB; (2) α-helix-to-β-sheet ratio differed among HB: the high-amylose was the greatest, the zero-amylose waxy and waxy were the intermediate, and the normal starch was the lowest; (3) HB were similar in β-glucan and CHO molecular structural makeup; (4) altered starch HB cultivars were similar to each other, but were different from the normal starch cultivar in protein molecular makeup; and (5) the rate and extent of rumen degradation of starch and protein were highly related to the molecular structural makeup of HB. In conclusion, the molecular structural makeup on a molecular basis was related to rumen degradation kinetics and intestinal availability in dairy cattle. The alteration of starch structure in barley grain affects starch structure and the magnitude of protein and β-glucan contents, as well as the protein molecular structure of HB. Copyright © 2011 American Dairy Science Association. Published by Elsevier Inc. All rights reserved.

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

Burns, D.A.

A method is disclosed of detecting counterfeit currency by contacting the currency to be tested with near infrared beams in the spectrum below 1,250 nanometers, measuring reflectance of the near infrared beams and comparing the reflectance values with those from genuine currency. 18 figs.

Dark Reflections in the Southern Cross

NASA Image and Video Library

2010-10-27

NASA Wide-field Infrared Survey Explorer captured this colorful image of the reflection nebula IRAS 12116-6001. This cloud of interstellar dust cannot be seen directly in visible light, but WISE detectors observed the nebula at infrared wavelengths.

Empirical Measurement and Model Validation of Infrared Spectra of Contaminated Surfaces

NASA Astrophysics Data System (ADS)

Archer, Sean

The goal of this thesis was to validate predicted infrared spectra of liquid contaminated surfaces from a micro-scale bi-directional reflectance distribution function (BRDF) model through the use of empirical measurement. Liquid contaminated surfaces generally require more sophisticated radiometric modeling to numerically describe surface properties. The Digital Image and Remote Sensing Image Generation (DIRSIG) model utilizes radiative transfer modeling to generate synthetic imagery for a variety of applications. Aside from DIRSIG, a micro-scale model known as microDIRSIG has been developed as a rigorous ray tracing physics-based model that could predict the BRDF of geometric surfaces that are defined as micron to millimeter resolution facets. The model offers an extension from the conventional BRDF models by allowing contaminants to be added as geometric objects to a micro-facet surface. This model was validated through the use of Fourier transform infrared spectrometer measurements. A total of 18 different substrate and contaminant combinations were measured and compared against modeled outputs. The substrates used in this experiment were wood and aluminum that contained three different paint finishes. The paint finishes included no paint, Krylon ultra-flat black, and Krylon glossy black. A silicon based oil (SF96) was measured out and applied to each surface to create three different contamination cases for each surface. Radiance in the longwave infrared region of the electromagnetic spectrum was measured by a Design and Prototypes (D&P) Fourier transform infrared spectrometer and a Physical Sciences Inc. Adaptive Infrared Imaging Spectroradiometer (AIRIS). The model outputs were compared against the measurements quantitatively in both the emissivity and radiance domains. A temperature emissivity separation (TES) algorithm had to be applied to the measured radiance spectra for comparison with the microDIRSIG predicted emissivity spectra. The model predicted emissivity spectra was also forward modeled through a DIRSIG simulation for comparisons to the radiance measurements. The results showed a promising agreement for homogeneous surfaces with liquid contamination that could be well characterized geometrically. Limitations arose in substrates that were modeled as homogeneous surfaces, but had spatially varying artifacts due to uncertainties with contaminant and surface interactions. There is high desire for accurate physics based modeling of liquid contaminated surfaces and this validation framework may be extended to include a wider array of samples for more realistic natural surfaces that are often found in real world scenarios.

Battle Keeps Solar Energy in Receiver

NASA Technical Reports Server (NTRS)

Mcdougal, A. R.; Hale, R. R.

1982-01-01

Mirror structure in solar concentrator reduces heat loss by reflection and reradiation. Baffle reflects entering rays back and forth in solar-concentrator receiver until they reach heat exchanger. Similarly, infrared energy reradiated by heat exchanger is prevented from leaving receiver. Surfaces of baffle and inside wall of receiver are polished and highly reflective at solar and infrared wavelengths.

Hyperspectral infrared nanoimaging of organic samples based on Fourier transform infrared nanospectroscopy

PubMed Central

Amenabar, Iban; Poly, Simon; Goikoetxea, Monika; Nuansing, Wiwat; Lasch, Peter; Hillenbrand, Rainer

2017-01-01

Infrared nanospectroscopy enables novel possibilities for chemical and structural analysis of nanocomposites, biomaterials or optoelectronic devices. Here we introduce hyperspectral infrared nanoimaging based on Fourier transform infrared nanospectroscopy with a tunable bandwidth-limited laser continuum. We describe the technical implementations and present hyperspectral infrared near-field images of about 5,000 pixel, each one covering the spectral range from 1,000 to 1,900 cm−1. To verify the technique and to demonstrate its application potential, we imaged a three-component polymer blend and a melanin granule in a human hair cross-section, and demonstrate that multivariate data analysis can be applied for extracting spatially resolved chemical information. Particularly, we demonstrate that distribution and chemical interaction between the polymer components can be mapped with a spatial resolution of about 30 nm. We foresee wide application potential of hyperspectral infrared nanoimaging for valuable chemical materials characterization and quality control in various fields ranging from materials sciences to biomedicine. PMID:28198384

Hyperspectral infrared nanoimaging of organic samples based on Fourier transform infrared nanospectroscopy

NASA Astrophysics Data System (ADS)

Amenabar, Iban; Poly, Simon; Goikoetxea, Monika; Nuansing, Wiwat; Lasch, Peter; Hillenbrand, Rainer

2017-02-01

Infrared nanospectroscopy enables novel possibilities for chemical and structural analysis of nanocomposites, biomaterials or optoelectronic devices. Here we introduce hyperspectral infrared nanoimaging based on Fourier transform infrared nanospectroscopy with a tunable bandwidth-limited laser continuum. We describe the technical implementations and present hyperspectral infrared near-field images of about 5,000 pixel, each one covering the spectral range from 1,000 to 1,900 cm-1. To verify the technique and to demonstrate its application potential, we imaged a three-component polymer blend and a melanin granule in a human hair cross-section, and demonstrate that multivariate data analysis can be applied for extracting spatially resolved chemical information. Particularly, we demonstrate that distribution and chemical interaction between the polymer components can be mapped with a spatial resolution of about 30 nm. We foresee wide application potential of hyperspectral infrared nanoimaging for valuable chemical materials characterization and quality control in various fields ranging from materials sciences to biomedicine.

A non-destructive spectroscopic study of the decoration of archaeological pottery: from matt-painted bichrome ceramic sherds (southern Italy, VIII-VII B.C.) to an intact Etruscan cinerary urn

NASA Astrophysics Data System (ADS)

Bruni, Silvia; Guglielmi, Vittoria; Della Foglia, Elena; Castoldi, Marina; Bagnasco Gianni, Giovanna

2018-02-01

A study is presented based on the use of entirely non-destructive spectroscopic techniques to analyze the chemical composition of the painted surface layer of archaeological pottery. This study aims to define both the raw materials and the working technology of ancient potters. Energy-dispersive X-ray analysis, micro-Raman spectroscopy, visible and near infrared (NIR) diffuse reflection spectroscopy and external reflection Fourier-transform infrared (FTIR) spectroscopy were applied to matt-painted bichrome pottery sherds (VIII-VII century B.C.) from the site of Incoronata near Metaponto in southern Italy. Two different raw materials, ochre and iron-rich clay, were recognized for the red decoration, while the dark areas resulted to have been obtained by the so-called manganese black technique. In any case, it was demonstrated that the decoration was applied before firing, in spite of its sometimes grainy aspect that could suggest a post-firing application. For the samples with a more sophisticated decorative pattern a red/black/white polychromy was recognized, as the lighter areas correspond to an ;intentional white; obtained by the firing of a calcium-rich clay. Reflection spectroscopy in the visible-NIR and mid-IR as well as micro-Raman spectroscopy were then employed to characterize the decoration of an intact ceramic urn from the Etruscan town of Chiusi, evidencing a post-firing painting based on the use of red ochre, carbon black and lime, possibly imitating the ;fresco; technique used in wall paintings.

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.

An advanced retrieval algorithm for greenhouse gases using polarization information measured by GOSAT TANSO-FTS SWIR I: Simulation study

NASA Astrophysics Data System (ADS)

Kikuchi, N.; Yoshida, Y.; Uchino, O.; Morino, I.; Yokota, T.

2016-11-01

We present an algorithm for retrieving column-averaged dry air mole fraction of carbon dioxide (XCO2) and methane (XCH4) from reflected spectra in the shortwave infrared (SWIR) measured by the TANSO-FTS (Thermal And Near infrared Sensor for carbon Observation Fourier Transform Spectrometer) sensor on board the Greenhouse gases Observing SATellite (GOSAT). The algorithm uses the two linear polarizations observed by TANSO-FTS to improve corrections to the interference effects of atmospheric aerosols, which degrade the accuracy in the retrieved greenhouse gas concentrations. To account for polarization by the land surface reflection in the forward model, we introduced a bidirectional reflection matrix model that has two parameters to be retrieved simultaneously with other state parameters. The accuracy in XCO2 and XCH4 values retrieved with the algorithm was evaluated by using simulated retrievals over both land and ocean, focusing on the capability of the algorithm to correct imperfect prior knowledge of aerosols. To do this, we first generated simulated TANSO-FTS spectra using a global distribution of aerosols computed by the aerosol transport model SPRINTARS. Then the simulated spectra were submitted to the algorithms as measurements both with and without polarization information, adopting a priori profiles of aerosols that differ from the true profiles. We found that the accuracy of XCO2 and XCH4, as well as profiles of aerosols, retrieved with polarization information was considerably improved over values retrieved without polarization information, for simulated observations over land with aerosol optical thickness greater than 0.1 at 1.6 μm.

Visible and infrared reflectance imaging spectroscopy of paintings: pigment mapping and improved infrared reflectography

NASA Astrophysics Data System (ADS)

Delaney, John K.; Zeibel, Jason G.; Thoury, Mathieu; Littleton, Roy; Morales, Kathryn M.; Palmer, Michael; de la Rie, E. René

2009-07-01

Reflectance imaging spectroscopy, the collection of images in narrow spectral bands, has been developed for remote sensing of the Earth. In this paper we present findings on the use of imaging spectroscopy to identify and map artist pigments as well as to improve the visualization of preparatory sketches. Two novel hyperspectral cameras, one operating from the visible to near-infrared (VNIR) and the other in the shortwave infrared (SWIR), have been used to collect diffuse reflectance spectral image cubes on a variety of paintings. The resulting image cubes (VNIR 417 to 973 nm, 240 bands, and SWIR 970 to 1650 nm, 85 bands) were calibrated to reflectance and the resulting spectra compared with results from a fiber optics reflectance spectrometer (350 to 2500 nm). The results show good agreement between the spectra acquired with the hyperspectral cameras and those from the fiber reflectance spectrometer. For example, the primary blue pigments and their distribution in Picasso's Harlequin Musician (1924) are identified from the reflectance spectra and agree with results from X-ray fluorescence data and dispersed sample analysis. False color infrared reflectograms, obtained from the SWIR hyperspectral images, of extensively reworked paintings such as Picasso's The Tragedy (1903) are found to give improved visualization of changes made by the artist. These results show that including the NIR and SWIR spectral regions along with the visible provides for a more robust identification and mapping of artist pigments than using visible imaging spectroscopy alone.

Differences in visible and near-infrared light reflectance between orange fruit and leaves

NASA Technical Reports Server (NTRS)

Gausman, H. W.; Escobar, D. E.; Berumen, A.

1975-01-01

The objective was to find the best time during the season (April 26, 1972 to January 8, 1973) to distinguish orange fruit from leaves by spectrophotometrically determining at 10-day intervals when the difference in visible (550- and 650-nm wavelengths) and near-infrared (850-nm wavelength) light reflectance between fruit and nearby leaves was largest. December 5 to January 8 was the best time to distinguish fruit from leaves. During this period the fruit's color was rapidly changing from green to yellow, and the difference in visible light reflectance between fruit and leaves was largest. The difference in near-infrared reflectance between leaves and fruit remained essentially constant during ripening when the difference in visible light reflectance between leaves and fruit was largest.

The infrared bands Pechan prism axis parallel detection method

NASA Astrophysics Data System (ADS)

Qiang, Hua; Ji, Ming; He, Yu-lan; Wang, Nan-xi; Chang, Wei-jun; Wang, Ling; Liu, Li

2017-02-01

In this paper, we put forward a new method to adjust the air gap of the total reflection air gap of the infrared Pechan prism. The adjustment of the air gap in the air gap of the Pechan prism directly affects the parallelism of the optical axis, so as to affect the consistency of the optical axis of the infrared system. The method solves the contradiction between the total reflection and the high transmission of the infrared wave band, and promotes the engineering of the infrared wave band. This paper puts forward the method of adjusting and controlling, which can ensure the full reflection and high penetration of the light, and also can accurately measure the optical axis of the optical axis of the different Pechan prism, and can achieve the precision of the level of the sec. For Pechan prism used in the infrared band image de rotation, make the product to realize miniaturization, lightweight plays an important significance.

Spectral radiative properties of a living human body

NASA Astrophysics Data System (ADS)

Terada, N.; Ohnishi, K.; Kobayashi, M.; Kunitomo, T.

1986-09-01

Spectral radiative properties of the human body were studied experimentally in the region from the ultraviolet to the far-infrared to know the thermal response of the human body exposed to solar radiation and infrared radiation. The measuring equipment for reflectance and transmittance of a semitransparent scattering medium was developed and measurement on a living human skin was performed in vivo. The measured parts are forearm, cheek, dorsum hand, hip, and hair. The values obtained by the present study are much different from those of previous in vitro measurements. Fairly large values for hemispherical reflectances are observed in the visible and near-infrared regions but very small values for hemispherical reflectances are observed in the infrared region, below 0.05. By applying the four-flux treatment of radiative transfer, the absorption coefficient and scattering coefficient in the human skin are determined. The scattering coefficient is large in the visible region but negligible in the infrared region. The absorption coefficient is very close to that of water and large in the infrared region.

Optical diffuse reflectance accessory for measurements of skin tissue by near-infrared spectroscopy

NASA Astrophysics Data System (ADS)

Marbach, R.; Heise, H. M.

1995-02-01

An optimized accessory for measuring the diffuse reflectance spectra of human skin tissue in the near-infrared spectral range is presented. The device includes an on-axis ellipsoidal collecting mirror with efficient illumination optics for small sampling areas of bulky body specimens. The optical design is supported by the results of a Monte Carlo simulation study of the reflectance characteristics of skin tissue. Because the results evolved from efforts to measure blood glucose noninvasively, the main emphasis is placed on the long-wavelength near-infrared range where sufficient penetration depth for radiation into tissue is still available. The accessory is applied for in vivo diffuse reflectance measurements.

Determination of diosmin in pharmaceutical formulations using Fourier transform infrared spectrophotometry

PubMed Central

Bunaciu, Andrei A.; Udristioiu, Gabriela Elena; Ruţă, Lavinia L.; Fleschin, Şerban; Aboul-Enein, Hassan Y.

2009-01-01

A Fourier transform infrared (FT-IR) spectrometric method was developed for the rapid, direct measurement of diosmin in different pharmaceutical drugs. Conventional KBr-spectra were compared for best determination of active substance in commercial preparations. The Beer–Lambert law and two chemometric approaches, partial least squares (PLS) and principal component regression (PCR+) methods, were tried in data processing. PMID:23960715

Application of Fourier transform infrared spectroscopy to silica diagenesis: The opal-A to opal-CT transformation

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

Rice, S.B.; Freund, H.; Huang, W.L.

An important goal in silica diagenesis research is to understand the kinetics of opal transformation from noncrystalline opal-A to the disordered silica polymorph opal-CT. Because the conventional technique for monitoring the transformation, powder X-ray diffraction (XRD), is applicable only to phases with long-range order, the authors used Fourier transform infrared spectroscopy (FTIR) to monitor the transformation. They applied this technique, combined with XRD and TEM, to experimental run products and natural opals from the Monterey Formation and from siliceous deposits in the western Pacific Ocean. Using a ratio of two infrared absorption intensities ({omega} = I{sub 472 cm{sup {minus}1}}/I{sub 500more » cm{sup {minus}1}}), the relative proportions of opal-A and opal-CT can be determined. The progress of the transformation is marked by changes in slope of {omega} vs. depth or time when a sufficient stratigraphic profile is available. There are three stages in the opal-A to opal-CT reaction: (1) opal-A dissolution; (2) opal-CT precipitation, whose end point is marked by completion of opal-A dissolution; and (3) opal-CT ordering, during which tridymite stacking is eliminated in favor of crystobalite stacking.« less

Simple Fabrication of Gd(III)-DTPA-Nanodiamond Particles by Chemical Modification for Use as Magnetic Resonance Imaging (MRI) Contrast Agent

NASA Astrophysics Data System (ADS)

Nakamura, Takako; Ohana, Tsuguyori; Yabuno, Hajime; Kasai, Rumiko; Suzuki, Tetsuya; Hasebe, Terumitsu

2013-01-01

We have developed a simple and useful process for fabricating nanodiamond (ND) particles modified with an organogadolinium moiety by chemical modification for their use as a magnetic resonance imaging (MRI) contrast agent. The introduction of the organogadolinium moiety on the surface of the ND particles was performed by the condensation of ND and diethylenetriaminepentaacetic acid (DTPA) followed by treatment with GdCl3. The modified surfaces were evaluated by X-ray photoelectron spectroscopy, diffuse reflectance Fourier transform infrared spectroscopy, mass spectroscopy, and inductively coupled plasma atomic emission spectroscopy analyses. MRI experiments on the Gd-DTPA-ND particles indicated their high signal intensity on T1-weighted images.

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.

Remote sensing of the troposphere by infrared emission spectroscopy

NASA Technical Reports Server (NTRS)

Beer, Reinhard; Glavich, Thomas A.

1989-01-01

This paper describes the concept of a cryogenic IR imaging Fourier transform spectrometer, called the Tropospheric Emission Spectrometer (TES), designed for observations of the troposphere and lower stratosphere from a near-earth orbit, using natural thermal emission and reflected sunlight. The principal molecular species to be measured by TES are O3, CO, CO2, N2O, H2O, H2O2, NO, NO2, HNO3, NH3, CH4, C2H6, C2H2, SO2, COS, CFCl3, and CF2Cl2. The TES is scheduled for a launch on the second polar platform of the Earth Observing System in 1998.

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.

Thermal Annealing Effect on Optical Properties of Binary TiO₂-SiO₂ Sol-Gel Coatings.

PubMed

Wang, Xiaodong; Wu, Guangming; Zhou, Bin; Shen, Jun

2012-12-24

TiO₂-SiO₂ binary coatings were deposited by a sol-gel dip-coating method using tetrabutyl titanate and tetraethyl orthosilicate as precursors. The structure and chemical composition of the coatings annealed at different temperatures were analyzed by Raman spectroscopy and Fourier Transform Infrared (FTIR) spectroscopy. The refractive indices of the coatings were calculated from the measured transmittance and reflectance spectra. An increase in refractive index with the high temperature thermal annealing process was observed. The Raman and FTIR results indicate that the refractive index variation is due to changes in the removal of the organic component, phase separation and the crystal structure of the binary coatings.

Characterization of Lubricants on Ball Bearings by FT-IR Using an Integrating Sphere

NASA Technical Reports Server (NTRS)

Street, K. W.; Pepper, S. V.; Wright, A. A.; Grady, B.

2007-01-01

Fourier Transform-Infrared reflectance microspectroscopy has been used extensively for the examination of coatings on nonplanar surfaces such as ball bearings. While this technique offers considerable advantages, practical application has many drawbacks, some of which are easily overcome by the use of integrating sphere technology. This paper describes the use of an integrating sphere for the quantification of thin layers of lubricant on the surface of ball bearings and the parameters which require optimization in order to obtain reliable data. Several applications of the technique are discussed including determination of lubricant load on 12.7 mm steel ball bearings and the examination of degraded lubricant on post mortem specimens.

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.

Facile preparation of highly-dispersed cobalt-silicon mixed oxide nanosphere and its catalytic application in cyclohexane selective oxidation

PubMed Central

2011-01-01

Highly dispersed cobalt-silicon mixed oxide [Co-SiO2] nanosphere was successfully prepared with a modified reverse-phase microemulsion method. This material was characterized in detail by X-ray diffraction, transmission electron microscopy, Fourier transform infrared, ultraviolet-visible diffuse reflectance spectra, X-ray absorption spectroscopy near-edge structure, and N2 adsorption-desorption measurements. High valence state cobalt could be easily obtained without calcination, which is fascinating for the catalytic application for its strong oxidation ability. In the selective oxidation of cyclohexane, Co-SiO2 acted as an efficient catalyst, and good activity could be obtained under mild conditions. PMID:22067075

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.

Study of cylindrical optical micro-structure technology used in infrared laser protection

NASA Astrophysics Data System (ADS)

Sun, Yanjun; Liu, Shunrui; Wang, Zhining; Zhao, Yixuan; Wu, Boqi; Leng, Yanbing; Wang, Li

2016-10-01

The paper aimed at the problem that strong absorption in visible wavelengths and equipment or operator injury caused by specular reflection exist in infrared laser protection technology to propose an infrared laser non-specular reflection optical micro-structure formed from optical window surface. It has the function of little effect on visible light transmission and large-angle scattering to 1064nm infrared laser in order to enable laser protection. The paper uses light track method to design double-side micro-cylindrical lens arrays with dislocation construction. Array period T and curvature radius of lens units R should meet the condition:0

Adsorption and photodecomposition of Mo(CO)[sub 6] on Si(111) 7[times]7: An infrared reflection absorption spectroscopy study

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

Richter, L.J.; Buntin, S.A.; Chu, P.M.

1994-02-15

The adsorption and photodecomposition of Mo(CO)[sub 6] adsorbed on Si(111) 7[times]7 surfaces has been studied with Auger electron spectroscopy, temperature programmed desorption, low energy electron diffraction and infrared reflection absorption spectroscopy in a single external reflection configuration. The external-reflection technique is demonstrated to have adequate sensitivity to characterize submonolayer coverages of photogenerated Mo(CO)[sub [ital x

Effects of nitrogen nutrition on the growth, yield and reflectance characteristics of corn canopies. [Purdue Agronomy Farm, Indiana

NASA Technical Reports Server (NTRS)

Bauer, M. E. (Principal Investigator); Walburg, G.; Daughtry, C. S. T.

1981-01-01

Spectral and agronomic measurements were collected from corn (Zea mays L.) canopies under four nitrogen treatment levels (0, 67, 134, and 202 kg/ha) on 11 dates during 1978 and 12 dates during 1979. Data were analyzed to determine the relationship between the spectral responses of canopies and their argonomic characteristics as well as the spectral separability of the four treatments. Red reflectance was increased, while the near infrared reflectance was decreased for canopies under nitrogen deprivation. Spectral differences between treatments were seen throughout each growing season. The near infrared/red reflectance ratio increased spectral treatment differences over those shown by single band reflectance measures. Of the spectral variables examined, the near infrared/red reflectance ratio most effectively separated the treatments. Differences in spectral response between treatments were attributed to varying soil cover, leaf area index, and leaf pigmentation values, all of which changed with N treatment.

High dimensional reflectance analysis of soil organic matter

NASA Technical Reports Server (NTRS)

Henderson, T. L.; Baumgardner, M. F.; Franzmeier, D. P.; Stott, D. E.; Coster, D. C.

1992-01-01

Recent breakthroughs in remote-sensing technology have led to the development of high spectral resolution imaging sensors for observation of earth surface features. This research was conducted to evaluate the effects of organic matter content and composition on narrowband soil reflectance across the visible and reflective infrared spectral ranges. Organic matter from four Indiana agricultural soils, ranging in organic C content from 0.99 to 1.72 percent, was extracted, fractionated, and purified. Six components of each soil were isolated and prepared for spectral analysis. Reflectance was measured in 210 narrow bands in the 400- to 2500-nm wavelength range. Statistical analysis of reflectance values indicated the potential of high dimensional reflectance data in specific visible, near-infrared, and middle-infrared bands to provide information about soil organic C content, but not organic matter composition. These bands also responded significantly to Fe- and Mn-oxide content.

Evaluating Leaf and Canopy Reflectance of Stressed Rice Plants to Monitor Arsenic Contamination.

PubMed

Bandaru, Varaprasad; Daughtry, Craig S; Codling, Eton E; Hansen, David J; White-Hansen, Susan; Green, Carrie E

2016-06-18

Arsenic contamination is a serious problem in rice cultivated soils of many developing countries. Hence, it is critical to monitor and control arsenic uptake in rice plants to avoid adverse effects on human health. This study evaluated the feasibility of using reflectance spectroscopy to monitor arsenic in rice plants. Four arsenic levels were induced in hydroponically grown rice plants with application of 0, 5, 10 and 20 µmol·L(-1) sodium arsenate. Reflectance spectra of upper fully expanded leaves were acquired over visible and infrared (NIR) wavelengths. Additionally, canopy reflectance for the four arsenic levels was simulated using SAIL (Scattering by Arbitrarily Inclined Leaves) model for various soil moisture conditions and leaf area indices (LAI). Further, sensitivity of various vegetative indices (VIs) to arsenic levels was assessed. Results suggest that plants accumulate high arsenic amounts causing plant stress and changes in reflectance characteristics. All leaf spectra based VIs related strongly with arsenic with coefficient of determination (r²) greater than 0.6 while at canopy scale, background reflectance and LAI confounded with spectral signals of arsenic affecting the VIs' performance. Among studied VIs, combined index, transformed chlorophyll absorption reflectance index (TCARI)/optimized soil adjusted vegetation index (OSAVI) exhibited higher sensitivity to arsenic levels and better resistance to soil backgrounds and LAI followed by red edge based VIs (modified chlorophyll absorption reflectance index (MCARI) and TCARI) suggesting that these VIs could prove to be valuable aids for monitoring arsenic in rice fields.

Microwave absorbing properties and enhanced infrared reflectance of Fe/Cu composites prepared by chemical plating

NASA Astrophysics Data System (ADS)

Li, Xiaoguang; Ji, Guangbin; Lv, Hualiang; Wang, Min; Du, Youwei

2014-04-01

Fe/Cu composite samples with Cu particles depositing on carbonyl iron sheets were prepared by chemical plating. Cu additions were uniformly distributed on the grain boundaries of the flaky carbonyl iron while keeping the internal structure of iron. Meanwhile, we found that the chemical plating time made a key point on both the microwave absorbing properties and infrared emissivity. With the growth of chemical plating time, the value of reflection loss gives a linear decrease and the infrared emissivity is reduced with a tendency of index reduction. When the plating time is less than 30 min, the reflection loss of the samples maintains above -20 GHz, moreover, prolonging the plating time more than 30 min, the infrared emissivity of the samples is reduced to 0.50 or less. It can be concluded that both the microwave absorbing and infrared properties are excellent at the optimal plating time of 30 min.

Renal geology (quantitative renal stone analysis) by 'Fourier transform infrared spectroscopy'.

PubMed

Singh, Iqbal

2008-01-01

To prospectively determine the precise stone composition (quantitative analysis) by using infrared spectroscopy in patients with urinary stone disease presenting to our clinic. To determine an ideal method for stone analysis suitable for use in a clinical setting. After routine and a detailed metabolic workup of all patients of urolithiasis, stone samples of 50 patients of urolithiasis satisfying the entry criteria were subjected to the Fourier transform infrared spectroscopic analysis after adequate sample homogenization at a single testing center. Calcium oxalate monohydrate and dihydrate stone mixture was most commonly encountered in 35 (71%) followed by calcium phosphate, carbonate apatite, magnesium ammonium hexahydrate and xanthine stones. Fourier transform infrared spectroscopy allows an accurate, reliable quantitative method of stone analysis. It also helps in maintaining a computerized large reference library. Knowledge of precise stone composition may allow the institution of appropriate prophylactic therapy despite the absence of any detectable metabolic abnormalities. This may prevent and or delay stone recurrence.

Evaluation method based on the image correlation for laser jamming image

NASA Astrophysics Data System (ADS)

Che, Jinxi; Li, Zhongmin; Gao, Bo

2013-09-01

The jamming effectiveness evaluation of infrared imaging system is an important part of electro-optical countermeasure. The infrared imaging devices in the military are widely used in the searching, tracking and guidance and so many other fields. At the same time, with the continuous development of laser technology, research of laser interference and damage effect developed continuously, laser has been used to disturbing the infrared imaging device. Therefore, the effect evaluation of the infrared imaging system by laser has become a meaningful problem to be solved. The information that the infrared imaging system ultimately present to the user is an image, so the evaluation on jamming effect can be made from the point of assessment of image quality. The image contains two aspects of the information, the light amplitude and light phase, so the image correlation can accurately perform the difference between the original image and disturbed image. In the paper, the evaluation method of digital image correlation, the assessment method of image quality based on Fourier transform, the estimate method of image quality based on error statistic and the evaluation method of based on peak signal noise ratio are analysed. In addition, the advantages and disadvantages of these methods are analysed. Moreover, the infrared disturbing images of the experiment result, in which the thermal infrared imager was interfered by laser, were analysed by using these methods. The results show that the methods can better reflect the jamming effects of the infrared imaging system by laser. Furthermore, there is good consistence between evaluation results by using the methods and the results of subjective visual evaluation. And it also provides well repeatability and convenient quantitative analysis. The feasibility of the methods to evaluate the jamming effect was proved. It has some extent reference value for the studying and developing on electro-optical countermeasures equipments and effectiveness evaluation.

Monitoring the Near-infrared Volcanic Flux from Io's Jupiter-facing Hemisphere from Fan Mountain Observatory

NASA Astrophysics Data System (ADS)

Skrutskie, Michael F.; Nelson, Matthew J.; Schmidt, Carl

2016-10-01

Fan Mountain Observatory, near Charlottesville, Virginia, is a dark-sky site that supports a number of telescopes including a 31-inch reflecting telescope equipped with a 1024x1024 HgCdTe 1-2.5 um (YJHK) imager. Reflected sunlight ordinarily overwhelms Io's comparatively weak K-band (2.0-2.4 um) volcanic emission in unresolved observations, however when Io is eclipsed in Jupiter's shadow even a small infrared-equipped telescope can detect Io's volcanic emission. The Fan Mountain Infrared Camera observed Io in eclipse at regular intervals, typically weekly, during the few months before and after Jupiter's March 2016 opposition. When in eclipse Io's Jupiter-facing hemisphere is oriented toward Earth with sub-Earth longitudes at the time of observation ranging from 345 - 360 degrees (pre-opposition) to 0 - 15 degrees (post-opposition). A K-band filter (2.04-2.42 um) provided a bulk measurement of Io's volcanic flux weighted largely toward the 2.4 um end of this filter given the typical 500K color temperature of the volcanic emission. Most epochs also included observation in a narrowband filter centered at 2.12 um that, when combined with the broadband "long" wavelength measurement, provided a proxy for color temperature. The K-band flux of Io varied by more than 2 magnitudes during the 7 month observation interval. The [2.12 um - K-band] color of the emission strongly correlated with the K-band flux in the expected sense that the color temperature of the emission increased when Io's broadband volcanic flux was the greatest. One epoch of TripleSpec near-IR Io eclipse spectroscopy (0.90 - 2.45 um; R~3000) from the Apache Point Observatory 3.5-meter telescope provided ground truth for transforming the filter photometry into quantitative temperatures.

Detection of counterfeit currency

DOEpatents

Burns, D.A.

1998-05-26

A method is disclosed of detecting counterfeit currency by contacting the currency to be tested with near infrared beams in the spectrum below 1,250 nanometers, measuring reflectance of the near infrared beams and comparing the reflectance values with those from genuine currency. 18 figs.

In the Grip of the Scorpion Claw

NASA Image and Video Library

2010-09-21

Gripped in the claw of the constellation Scorpius sits the reflection nebula DG 129, a cloud of gas and dust that reflects light from nearby, bright stars. This infrared view of the nebula was captured by NASA Wide-field Infrared Survey Explorer.

External reflection FTIR of peptide monolayer films in situ at the air/water interface: experimental design, spectra-structure correlations, and effects of hydrogen-deuterium exchange.

PubMed Central

Flach, C R; Brauner, J W; Taylor, J W; Baldwin, R C; Mendelsohn, R

1994-01-01

A Fourier transform infrared spectrometer has been interfaced with a surface balance and a new external reflection infrared sampling accessory, which permits the acquisition of spectra from protein monolayers in situ at the air/water interface. The accessory, a sample shuttle that permits the collection of spectra in alternating fashion from sample and background troughs, reduces interference from water vapor rotation-vibration bands in the amide I and amide II regions of protein spectra (1520-1690 cm-1) by nearly an order of magnitude. Residual interference from water vapor absorbance ranges from 50 to 200 microabsorbance units. The performance of the device is demonstrated through spectra of synthetic peptides designed to adopt alpha-helical, antiparallel beta-sheet, mixed beta-sheet/beta-turn, and unordered conformations at the air/water interface. The extent of exchange on the surface can be monitored from the relative intensities of the amide II and amide I modes. Hydrogen-deuterium exchange may lower the amide I frequency by as much as 11-12 cm-1 for helical secondary structures. This shifts the vibrational mode into a region normally associated with unordered structures and leads to uncertainties in the application of algorithms commonly used for determination of secondary structure from amide I contours of proteins in D2O solution. PMID:7919013

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 of Carrier Concentration and Mobility in n-type SiC Wafers Using Infrared Reflectance Spectroscopy

NASA Astrophysics Data System (ADS)

Narita, Katsutoshi; Hijikata, Yasuto; Yaguchi, Hiroyuki; Yoshida, Sadafumi; Nakashima, Shinichi

2004-08-01

We have estimated the free-carrier concentration and drift mobility in n-type 6H-SiC wafers in the carrier concentration range of 1017-1019 cm-3 from far- and mid-infrared (30-2000 cm-1) reflectance spectra obtained at room temperature. A modified classical dielectric function model was employed for the analysis. We found good agreement between the electrical properties derived from infrared reflectance spectroscopy and those derived from Hall effect measurements. We have demonstrated the spatial mapping of carrier concentration and mobility for commercially produced 2 inch SiC wafers.

Infrared Spectroscopy of Explosives Residues: Measurement Techniques and Spectral Analysis

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

Phillips, Mark C.; Bernacki, Bruce E.

2015-03-11

Infrared laser spectroscopy of explosives is a promising technique for standoff and non-contact detection applications. However, the interpretation of spectra obtained in typical standoff measurement configurations presents numerous challenges. Understanding the variability in observed spectra from explosives residues and particles is crucial for design and implementation of detection algorithms with high detection confidence and low false alarm probability. We discuss a series of infrared spectroscopic techniques applied toward measuring and interpreting the reflectance spectra obtained from explosives particles and residues. These techniques utilize the high spectral radiance, broad tuning range, rapid wavelength tuning, high scan reproducibility, and low noise ofmore » an external cavity quantum cascade laser (ECQCL) system developed at Pacific Northwest National Laboratory. The ECQCL source permits measurements in configurations which would be either impractical or overly time-consuming with broadband, incoherent infrared sources, and enables a combination of rapid measurement speed and high detection sensitivity. The spectroscopic methods employed include standoff hyperspectral reflectance imaging, quantitative measurements of diffuse reflectance spectra, reflection-absorption infrared spectroscopy, microscopic imaging and spectroscopy, and nano-scale imaging and spectroscopy. Measurements of explosives particles and residues reveal important factors affecting observed reflectance spectra, including measurement geometry, substrate on which the explosives are deposited, and morphological effects such as particle shape, size, orientation, and crystal structure.« less

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.

In vitro glucose measurement using tunable mid-infrared laser spectroscopy combined with fiber-optic sensor

PubMed Central

Yu, Songlin; Li, Dachao; Chong, Hao; Sun, Changyue; Yu, Haixia; Xu, Kexin

2013-01-01

Because mid-infrared (mid-IR) spectroscopy is not a promising method to noninvasively measure glucose in vivo, a method for minimally invasive high-precision glucose determination in vivo by mid-IR laser spectroscopy combined with a tunable laser source and small fiber-optic attenuated total reflection (ATR) sensor is introduced. The potential of this method was evaluated in vitro. This research presents a mid-infrared tunable laser with a broad emission spectrum band of 9.19 to 9.77μm(1024~1088 cm−1) and proposes a method to control and stabilize the laser emission wavelength and power. Moreover, several fiber-optic ATR sensors were fabricated and investigated to determine glucose in combination with the tunable laser source, and the effective sensing optical length of these sensors was determined for the first time. In addition, the sensitivity of this system was four times that of a Fourier transform infrared (FT-IR) spectrometer. The noise-equivalent concentration (NEC) of this laser measurement system was as low as 3.8 mg/dL, which is among the most precise glucose measurements using mid-infrared spectroscopy. Furthermore, a partial least-squares regression and Clarke error grid were used to quantify the predictability and evaluate the prediction accuracy of glucose concentration in the range of 5 to 500 mg/dL (physiologically relevant range: 30~400 mg/dL). The experimental results were clinically acceptable. The high sensitivity, tunable laser source, low NEC and small fiber-optic ATR sensor demonstrate an encouraging step in the work towards precisely monitoring glucose levels in vivo. PMID:24466493