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Sample records for fourier-transform infrared imaging

  1. High-Throughput Screening Using Fourier-Transform Infrared Imaging

    Directory of Open Access Journals (Sweden)

    Erdem Sasmaz

    2015-06-01

    Full Text Available Efficient parallel screening of combinatorial libraries is one of the most challenging aspects of the high-throughput (HT heterogeneous catalysis workflow. Today, a number of methods have been used in HT catalyst studies, including various optical, mass-spectrometry, and gas-chromatography techniques. Of these, rapid-scanning Fourier-transform infrared (FTIR imaging is one of the fastest and most versatile screening techniques. Here, the new design of the 16-channel HT reactor is presented and test results for its accuracy and reproducibility are shown. The performance of the system was evaluated through the oxidation of CO over commercial Pd/Al2O3 and cobalt oxide nanoparticles synthesized with different reducer-reductant molar ratios, surfactant types, metal and surfactant concentrations, synthesis temperatures, and ramp rates.

  2. Fourier Transform Infrared Imaging analysis of dental pulp inflammatory diseases.

    Science.gov (United States)

    Giorgini, E; Sabbatini, S; Conti, C; Rubini, C; Rocchetti, R; Fioroni, M; Memè, L; Orilisi, G

    2017-05-01

    Fourier Transform Infrared microspectroscopy let characterize the macromolecular composition and distribution of tissues and cells, by studying the interaction between infrared radiation and matter. Therefore, we hypothesize to exploit this analytical tool in the analysis of inflamed pulps, to detect the different biochemical features related to various degrees of inflammation. IR maps of 13 irreversible and 12 hyperplastic pulpitis, together with 10 normal pulps, were acquired, compared with histological findings and submitted to multivariate (HCA, PCA, SIMCA) and statistical (one-way ANOVA) analysis. The fit of convoluted bands let calculate meaningful band area ratios (means ± s.d., P < 0.05). The infrared imaging analysis pin-pointed higher amounts of water and lower quantities of type I collagen in all inflamed pulps. Specific vibrational markers were defined for irreversible pulpitis (Lipids/Total Biomass, PhII/Total Biomass, CH 2 /CH 3 , and Ty/AII) and hyperplastic ones (OH/Total Biomass, Collagen/Total Biomass, and CH 3 Collagen/Total Biomass). The study confirmed that FTIR microspectroscopy let discriminate tissues' biological features. The infrared imaging analysis evidenced, in inflamed pulps, alterations in tissues' structure and composition. Changes in lipid metabolism, increasing amounts of tyrosine, and the occurrence of phosphorylative processes were highlighted in irreversible pulpitis, while high amounts of water and low quantities of type I collagen were detected in hyperplastic samples. © 2017 John Wiley & Sons A/S. Published by John Wiley & Sons Ltd.

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

    Science.gov (United States)

    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...

  4. Fourier transform infrared imaging and infrared fiber optic probe spectroscopy identify collagen type in connective tissues.

    Directory of Open Access Journals (Sweden)

    Arash Hanifi

    Full Text Available Hyaline cartilage and mechanically inferior fibrocartilage consisting of mixed collagen types are frequently found together in repairing articular cartilage. The present study seeks to develop methodology to identify collagen type and other tissue components using Fourier transform infrared (FTIR spectral evaluation of matrix composition in combination with multivariate analyses. FTIR spectra of the primary molecular components of repair cartilage, types I and II collagen, and aggrecan, were used to develop multivariate spectral models for discrimination of the matrix components of the tissues of interest. Infrared imaging data were collected from bovine bone, tendon, normal cartilage, meniscus and human repair cartilage tissues, and composition predicted using partial least squares analyses. Histology and immunohistochemistry results were used as standards for validation. Infrared fiber optic probe spectral data were also obtained from meniscus (a tissue with mixed collagen types to evaluate the potential of this method for identification of collagen type in a minimally-invasive clinical application. Concentration profiles of the tissue components obtained from multivariate analysis were in excellent agreement with histology and immunohistochemistry results. Bone and tendon showed a uniform distribution of predominantly type I collagen through the tissue. Normal cartilage showed a distribution of type II collagen and proteoglycan similar to the known composition, while in repair cartilage, the spectral distribution of both types I and II collagen were similar to that observed via immunohistochemistry. Using the probe, the outer and inner regions of the meniscus were shown to be primarily composed of type I and II collagen, respectively, in accordance with immunohistochemistry data. In summary, multivariate analysis of infrared spectra can indeed be used to differentiate collagen type I and type II, even in the presence of proteoglycan, in

  5. Imaging open-path Fourier transform infrared spectrometer for 3D cloud profiling

    Science.gov (United States)

    Rentz Dupuis, Julia; Mansur, David J.; Vaillancourt, Robert; Carlson, David; Evans, Thomas; Schundler, Elizabeth; Todd, Lori; Mottus, Kathleen

    2010-04-01

    OPTRA has developed an imaging open-path Fourier transform infrared (I-OP-FTIR) spectrometer for 3D profiling of chemical and biological agent simulant plumes released into test ranges and chambers. An array of I-OP-FTIR instruments positioned around the perimeter of the test site, in concert with advanced spectroscopic algorithms, enables real time tomographic reconstruction of the plume. The approach is intended as a referee measurement for test ranges and chambers. This Small Business Technology Transfer (STTR) effort combines the instrumentation and spectroscopic capabilities of OPTRA, Inc. with the computed tomographic expertise of the University of North Carolina, Chapel Hill. In this paper, we summarize the design and build and detail system characterization and test of a prototype I-OP-FTIR instrument. System characterization includes radiometric performance and spectral resolution. Results from a series of tomographic reconstructions of sulfur hexafluoride plumes in a laboratory setting are also presented.

  6. Fourier transform infrared spectroscopy microscopic imaging classification based on spatial-spectral features

    Science.gov (United States)

    Liu, Lian; Yang, Xiukun; Zhong, Mingliang; Liu, Yao; Jing, Xiaojun; Yang, Qin

    2018-04-01

    The discrete fractional Brownian incremental random (DFBIR) field is used to describe the irregular, random, and highly complex shapes of natural objects such as coastlines and biological tissues, for which traditional Euclidean geometry cannot be used. In this paper, an anisotropic variable window (AVW) directional operator based on the DFBIR field model is proposed for extracting spatial characteristics of Fourier transform infrared spectroscopy (FTIR) microscopic imaging. Probabilistic principal component analysis first extracts spectral features, and then the spatial features of the proposed AVW directional operator are combined with the former to construct a spatial-spectral structure, which increases feature-related information and helps a support vector machine classifier to obtain more efficient distribution-related information. Compared to Haralick’s grey-level co-occurrence matrix, Gabor filters, and local binary patterns (e.g. uniform LBPs, rotation-invariant LBPs, uniform rotation-invariant LBPs), experiments on three FTIR spectroscopy microscopic imaging datasets show that the proposed AVW directional operator is more advantageous in terms of classification accuracy, particularly for low-dimensional spaces of spatial characteristics.

  7. Fourier transform infrared spectroscopic imaging and multivariate regression for prediction of proteoglycan content of articular cartilage.

    Directory of Open Access Journals (Sweden)

    Lassi Rieppo

    Full Text Available Fourier Transform Infrared (FT-IR spectroscopic imaging has been earlier applied for the spatial estimation of the collagen and the proteoglycan (PG contents of articular cartilage (AC. However, earlier studies have been limited to the use of univariate analysis techniques. Current analysis methods lack the needed specificity for collagen and PGs. The aim of the present study was to evaluate the suitability of partial least squares regression (PLSR and principal component regression (PCR methods for the analysis of the PG content of AC. Multivariate regression models were compared with earlier used univariate methods and tested with a sample material consisting of healthy and enzymatically degraded steer AC. Chondroitinase ABC enzyme was used to increase the variation in PG content levels as compared to intact AC. Digital densitometric measurements of Safranin O-stained sections provided the reference for PG content. The results showed that multivariate regression models predict PG content of AC significantly better than earlier used absorbance spectrum (i.e. the area of carbohydrate region with or without amide I normalization or second derivative spectrum univariate parameters. Increased molecular specificity favours the use of multivariate regression models, but they require more knowledge of chemometric analysis and extended laboratory resources for gathering reference data for establishing the models. When true molecular specificity is required, the multivariate models should be used.

  8. Practical protocols for fast histopathology by Fourier transform infrared spectroscopic imaging

    Science.gov (United States)

    Keith, Frances N.; Reddy, Rohith K.; Bhargava, Rohit

    2008-02-01

    Fourier transform infrared (FT-IR) spectroscopic imaging is an emerging technique that combines the molecular selectivity of spectroscopy with the spatial specificity of optical microscopy. We demonstrate a new concept in obtaining high fidelity data using commercial array detectors coupled to a microscope and Michelson interferometer. Next, we apply the developed technique to rapidly provide automated histopathologic information for breast cancer. Traditionally, disease diagnoses are based on optical examinations of stained tissue and involve a skilled recognition of morphological patterns of specific cell types (histopathology). Consequently, histopathologic determinations are a time consuming, subjective process with innate intra- and inter-operator variability. Utilizing endogenous molecular contrast inherent in vibrational spectra, specially designed tissue microarrays and pattern recognition of specific biochemical features, we report an integrated algorithm for automated classifications. The developed protocol is objective, statistically significant and, being compatible with current tissue processing procedures, holds potential for routine clinical diagnoses. We first demonstrate that the classification of tissue type (histology) can be accomplished in a manner that is robust and rigorous. Since data quality and classifier performance are linked, we quantify the relationship through our analysis model. Last, we demonstrate the application of the minimum noise fraction (MNF) transform to improve tissue segmentation.

  9. The Performance and Scientific Rationale for an Infrared Imaging Fourier Transform Spectrograph on a Large Space Telescope

    National Research Council Canada - National Science Library

    Graham, James R; Abrams, Mark; Bennett, C; Carr, J; Cook, K; Dey, A; Najita, J; Wishnow, E

    1998-01-01

    .... We consider the relationship between pixel size, spectral resolution, and diameter of the beam splitter for imaging and nonimaging Fourier transform spectrographs and give the condition required...

  10. Fourier transform infrared spectrometery: an undergraduate experiment

    International Nuclear Information System (INIS)

    Lerner, L

    2016-01-01

    Simple apparatus is developed, providing undergraduate students with a solid understanding of Fourier transform (FT) infrared (IR) spectroscopy in a hands on experiment. Apart from its application to measuring the mid-IR spectra of organic molecules, the experiment introduces several techniques with wide applicability in physics, including interferometry, the FT, digital data analysis, and control theory. (paper)

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

    Science.gov (United States)

    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.

  12. High-definition Fourier Transform Infrared (FT-IR) Spectroscopic Imaging of Human Tissue Sections towards Improving Pathology

    Science.gov (United States)

    Nguyen, Peter L.; Davidson, Bennett; Akkina, Sanjeev; Guzman, Grace; Setty, Suman; Kajdacsy-Balla, Andre; Walsh, Michael J.

    2015-01-01

    High-definition Fourier Transform Infrared (FT-IR) spectroscopic imaging is an emerging approach to obtain detailed images that have associated biochemical information. FT-IR imaging of tissue is based on the principle that different regions of the mid-infrared are absorbed by different chemical bonds (e.g., C=O, C-H, N-H) within cells or tissue that can then be related to the presence and composition of biomolecules (e.g., lipids, DNA, glycogen, protein, collagen). In an FT-IR image, every pixel within the image comprises an entire Infrared (IR) spectrum that can give information on the biochemical status of the cells that can then be exploited for cell-type or disease-type classification. In this paper, we show: how to obtain IR images from human tissues using an FT-IR system, how to modify existing instrumentation to allow for high-definition imaging capabilities, and how to visualize FT-IR images. We then present some applications of FT-IR for pathology using the liver and kidney as examples. FT-IR imaging holds exciting applications in providing a novel route to obtain biochemical information from cells and tissue in an entirely label-free non-perturbing route towards giving new insight into biomolecular changes as part of disease processes. Additionally, this biochemical information can potentially allow for objective and automated analysis of certain aspects of disease diagnosis. PMID:25650759

  13. Electro-optic imaging Fourier transform spectrometer

    Science.gov (United States)

    Chao, Tien-Hsin (Inventor); Znod, Hanying (Inventor)

    2009-01-01

    An Electro-Optic Imaging Fourier Transform Spectrometer (EOIFTS) for Hyperspectral Imaging is described. The EOIFTS includes an input polarizer, an output polarizer, and a plurality of birefringent phase elements. The relative orientations of the polarizers and birefringent phase elements can be changed mechanically or via a controller, using ferroelectric liquid crystals, to substantially measure the spectral Fourier components of light propagating through the EIOFTS. When achromatic switches are used as an integral part of the birefringent phase elements, the EIOFTS becomes suitable for broadband applications, with over 1 micron infrared bandwidth.

  14. Mechanistic insights into nanotoxicity determined by synchrotron radiation-based Fourier-transform infrared imaging and multivariate analysis.

    Science.gov (United States)

    Riding, Matthew J; Trevisan, Júlio; Hirschmugl, Carol J; Jones, Kevin C; Semple, Kirk T; Martin, Francis L

    2012-12-01

    Our ability to identify the mechanisms by which carbon-based nanomaterials (CBNs) exert toxicity in cells is constrained by the lack of standardized methodologies to assay endpoint effects. Herein we describe a method of mechanistically identifying the effects of various CBN types in both prokaryotic and eukaryotic cells using multi-beam synchrotron radiation-based Fourier-transform infrared imaging (SR-FTIRI) at diffraction-limited resolution. This technique overcomes many of the inherent difficulties of assaying nanotoxicity and demonstrates exceptional sensitivity in identifying the effects of CBNs in cells at environmentally-relevant concentrations. We identify key mechanisms of nanotoxicity as the alteration of Amide and lipid biomolecules, but propose more specific bioactivity of CBNs occurs as a result of specific interactions between CBN structural conformation and cellular characteristics. Copyright © 2012 Elsevier Ltd. All rights reserved.

  15. Fourier transform infrared spectroscopy of peptides.

    Science.gov (United States)

    Bakshi, Kunal; Liyanage, Mangala R; Volkin, David B; Middaugh, C Russell

    2014-01-01

    Fourier transform infrared (FTIR) spectroscopy provides data that are widely used for secondary structure characterization of peptides. A wide array of available sampling methods permits structural analysis of peptides in diverse environments such as aqueous solution (including optically turbid media), powders, detergent micelles, and lipid bilayers. In some cases, side chain vibrations can also be resolved and used for tertiary structure and chemical analysis. Data from several low-resolution spectroscopic techniques, including FTIR, can be combined to generate an empirical phase diagram, an overall picture of peptide structure as a function of environmental conditions that can aid in the global interpretation of large amounts of spectroscopic data.

  16. Fourier transform infrared imaging showing reduced unsaturated lipid content in the hippocampus of a mouse model of Alzheimer's disease.

    Science.gov (United States)

    Leskovjan, Andreana C; Kretlow, Ariane; Miller, Lisa M

    2010-04-01

    Polyunsaturated fatty acids are essential to brain functions such as membrane fluidity, signal transduction, and cell survival. It is also thought that low levels of unsaturated lipid in the brain may contribute to Alzheimer's disease (AD) risk or severity. However, it is not known how accumulation of unsaturated lipids is affected in different regions of the hippocampus, which is a central target of AD plaque pathology, during aging. In this study, we used Fourier transform infrared imaging (FTIRI) to visualize the unsaturated lipid content in specific regions of the hippocampus in the PSAPP mouse model of AD as a function of plaque formation. Specifically, the unsaturated lipid content was imaged using the olefinic =CH stretching mode at 3012 cm(-1). The axonal, dendritic, and somatic layers of the hippocampus were examined in the mice at 13, 24, 40, and 56 weeks old. Results showed that lipid unsaturation in the axonal layer was significantly increased with normal aging in control (CNT) mice (p avoiding progression of the disease.

  17. Fourier Transform Near Infrared Microspectroscopy, Infrared Chemical Imaging, High-Resolution Nuclear Magnetic Resonance and Fluorescence Microspectroscopy Detection of Single Cancer Cells and Single Viral Particles

    CERN Document Server

    Baianu,I C; Hofmann, N E; Korban, S S; Lozano, P; You, T

    2004-01-01

    Single Cancer Cells from Human tumors are being detected and imaged by Fourier Transform Infrared (FT-IR), Fourier Transform Near Infrared (FT-NIR)Hyperspectral Imaging and Fluorescence Correlation Microspectroscopy. The first FT-NIR chemical, microscopic images of biological systems approaching one micron resolution are here reported. Chemical images obtained by FT-NIR and FT-IR Microspectroscopy are also presented for oil in soybean seeds and somatic embryos under physiological conditions. FT-NIR spectra of oil and proteins were obtained for volumes as small as two cubic microns. Related, HR-NMR analyses of oil contents in somatic embryos as well as 99% accurate calibrations are also presented here with nanoliter precision. Such high-resolution, 400 MHz H-1 NMR analyses allowed the selection of mutagenized embryos with higher oil content (e.g. >~20%) compared to the average levels in non-mutagenized control embryos. Moreover, developmental changes in single soybean seeds and/or somatic embryos may be monito...

  18. Application of second derivative spectroscopy for increasing molecular specificity of Fourier transform infrared spectroscopic imaging of articular cartilage.

    Science.gov (United States)

    Rieppo, L; Saarakkala, S; Närhi, T; Helminen, H J; Jurvelin, J S; Rieppo, J

    2012-05-01

    Fourier transform infrared (FT-IR) spectroscopic imaging is a promising method that enables the analysis of spatial distribution of biochemical components within histological sections. However, analysis of FT-IR spectroscopic data is complicated since absorption peaks often overlap with each other. Second derivative spectroscopy is a technique which enhances the separation of overlapping peaks. The objective of this study was to evaluate the specificity of the second derivative peaks for the main tissue components of articular cartilage (AC), i.e., collagen and proteoglycans (PGs). Histological bovine AC sections were measured before and after enzymatic removal of PGs. Both formalin-fixed sections (n = 10) and cryosections (n = 6) were investigated. Relative changes in the second derivative peak heights caused by the removal of PGs were calculated for both sample groups. The results showed that numerous peaks, e.g., peaks located at 1202 cm(-1) and 1336 cm(-1), altered less than 5% in the experiment. These peaks were assumed to be specific for collagen. In contrast, two peaks located at 1064 cm(-1) and 1376 cm(-1) were seen to alter notably, approximately 50% or more. These peaks were regarded to be specific for PGs. The changes were greater in cryosections than formalin-fixed sections. The results of this study suggest that the second derivative spectroscopy offers a practical and more specific method than routinely used absorption spectrum analysis methods to obtain compositional information on AC with FT-IR spectroscopic imaging. Copyright © 2012 Osteoarthritis Research Society International. Published by Elsevier Ltd. All rights reserved.

  19. Fourier Transform Infrared Imaging Shows Reduced Unsaturated Lipid Content in the Hippocampus of a Mouse Model of Alzheimer’s Disease

    OpenAIRE

    Leskovjan, Andreana C.; Kretlow, Ariane; Miller, Lisa M.

    2010-01-01

    Polyunsaturated fatty acids are essential to brain functions such as membrane fluidity, signal transduction, and cell survival. It is also thought that low levels of unsaturated lipid in the brain may contribute to Alzheimer’s disease (AD) risk or severity. However, it is not known how accumulation of unsaturated lipids is affected in different regions of the hippocampus, which is a central target of AD plaque pathology, during aging. In this study, we used Fourier Transform Infrared Imaging ...

  20. Quantitative characterization of chitosan in the skin by Fourier-transform infrared spectroscopic imaging and ninhydrin assay: application in transdermal sciences.

    Science.gov (United States)

    Nawaz, A; Wong, T W

    2016-07-01

    The chitosan has been used as the primary excipient in transdermal particulate dosage form design. Its distribution pattern across the epidermis and dermis is not easily accessible through chemical assay and limited to radiolabelled molecules via quantitative autoradiography. This study explored Fourier-transform infrared spectroscopy imaging technique with built-in microscope as the means to examine chitosan molecular distribution over epidermis and dermis with the aid of histology operation. Fourier-transform infrared spectroscopy skin imaging was conducted using chitosan of varying molecular weights, deacetylation degrees, particle sizes and zeta potentials, obtained via microwave ligation of polymer chains at solution state. Both skin permeation and retention characteristics of chitosan increased with the use of smaller chitosan molecules with reduced acetyl content and size, and increased positive charge density. The ratio of epidermal to dermal chitosan content decreased with the use of these chitosan molecules as their accumulation in dermis (3.90% to 18.22%) was raised to a greater extent than epidermis (0.62% to 1.92%). A larger dermal chitosan accumulation nonetheless did not promote the transdermal polymer passage more than the epidermal chitosan. A small increase in epidermal chitosan content apparently could fluidize the stratum corneum and was more essential to dictate molecular permeation into dermis and systemic circulation. The histology technique aided Fourier-transform infrared spectroscopy imaging approach introduces a new dimension to the mechanistic aspect of chitosan in transdermal delivery. © 2015 The Authors Journal of Microscopy © 2015 Royal Microscopical Society.

  1. Electro-Optical Imaging Fourier-Transform Spectrometer

    Science.gov (United States)

    Chao, Tien-Hsin; Zhou, Hanying

    2006-01-01

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

  2. Fourier Transforms Simplified: Computing an Infrared Spectrum from an Interferogram

    Science.gov (United States)

    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",…

  3. Using Spatial Structure Analysis of Hyperspectral Imaging Data and Fourier Transformed Infrared Analysis to Determine Bioactivity of Surface Pesticide Treatment

    Directory of Open Access Journals (Sweden)

    Christian Nansen

    2010-03-01

    Full Text Available Many food products are subjected to quality control analyses for detection of surface residue/contaminants, and there is a trend of requiring more and more documentation and reporting by farmers regarding their use of pesticides. Recent outbreaks of food borne illnesses have been a major contributor to this trend. With a growing need for food safety measures and “smart applications” of insecticides, it is important to develop methods for rapid and accurate assessments of surface residues on food and feed items. As a model system, we investigated detection of a miticide applied to maize leaves and its miticidal bioactivity over time, and we compared two types of reflectance data: fourier transformed infrared (FTIR data and hyperspectral imaging (HI data. The miticide (bifenazate was applied at a commercial field rate to maize leaves in the field, with or without application of a surfactant, and with or without application of a simulated “rain event”. In addition, we collected FTIR and HI from untreated control leaves (total of five treatments. Maize leaf data were collected at seven time intervals from 0 to 48 hours after application. FTIR data were analyzed using conventional analysis of variance of miticide-specific vibration peaks. Two unique FTIR vibration peaks were associated with miticide application (1,700 cm−1 and 763 cm−1. The integrated intensities of these two peaks, miticide application, surfactant, rain event, time between miticide application, and rain event were used as explanatory variables in a linear multi-regression fit to spider mite mortality. The same linear multi-regression approach was applied to variogram parameters derived from HI data in five selected spectral bands (664, 683, 706, 740, and 747 nm. For each spectral band, we conducted a spatial structure analysis, and the three standard variogram parameters (“sill”, “range”, and “nugget” were examined as possible “indicators” of miticide

  4. Fourier transform infrared imaging and microscopy studies of Pinus radiata pulps regarding the simultaneous saccharification and fermentation process

    Energy Technology Data Exchange (ETDEWEB)

    Castillo, Rosario del P., E-mail: rosariocastillo@udec.cl [Faculty of Pharmacy, University of Concepcion, Concepcion (Chile); Biotechnology Center, University of Concepcion, Concepcion (Chile); Araya, Juan [Faculty of Pharmacy, University of Concepcion, Concepcion (Chile); Biotechnology Center, University of Concepcion, Concepcion (Chile); Troncoso, Eduardo [Consorcio Bioenercel S.A, University of Concepcion, Concepcion (Chile); Vinet, Silenne; Freer, Juanita [Biotechnology Center, University of Concepcion, Concepcion (Chile); Faculty of Chemical Sciences, University of Concepcion, Concepcion (Chile)

    2015-03-25

    The distribution and chemical patterns of lignocellulosic components at microscopic scale and their effect on the simultaneous saccharification and fermentation process (SSF) in the production of bioethanol from Pinus radiata pulps were analyzed by the application of diverse microscopical techniques, including scanning electronic microscopy (SEM), confocal laser scanning microscopy (CLSM) and attenuated total reflectance (ATR) – Fourier transform infrared microspectroscopy. This last technique was accompanied with multivariate methods, including principal component analysis (PCA) and multivariate curve resolution with alternating least squares (MCR-ALS) to evaluate the distribution patterns and to generate pure spectra of the lignocellulosic components of fibers. The results indicate that the information obtained by the techniques is complementary (ultrastructure, confocality and chemical characterization) and that the distribution of components affects the SSF yield, identifying lignin coalescence droplets as a characteristic factor to increase the SSF yield. Therefore, multivariate analysis of the infrared spectra enabled the in situ identification of the cellulose, lignin and lignin-carbohydrates arrangements. These techniques could be used to investigate the lignocellulosic components distribution and consequently their recalcitrance in many applications where minimal sample manipulation and microscale chemical information is required.

  5. Fourier transform infrared imaging and microscopy studies of Pinus radiata pulps regarding the simultaneous saccharification and fermentation process

    International Nuclear Information System (INIS)

    Castillo, Rosario del P.; Araya, Juan; Troncoso, Eduardo; Vinet, Silenne; Freer, Juanita

    2015-01-01

    The distribution and chemical patterns of lignocellulosic components at microscopic scale and their effect on the simultaneous saccharification and fermentation process (SSF) in the production of bioethanol from Pinus radiata pulps were analyzed by the application of diverse microscopical techniques, including scanning electronic microscopy (SEM), confocal laser scanning microscopy (CLSM) and attenuated total reflectance (ATR) – Fourier transform infrared microspectroscopy. This last technique was accompanied with multivariate methods, including principal component analysis (PCA) and multivariate curve resolution with alternating least squares (MCR-ALS) to evaluate the distribution patterns and to generate pure spectra of the lignocellulosic components of fibers. The results indicate that the information obtained by the techniques is complementary (ultrastructure, confocality and chemical characterization) and that the distribution of components affects the SSF yield, identifying lignin coalescence droplets as a characteristic factor to increase the SSF yield. Therefore, multivariate analysis of the infrared spectra enabled the in situ identification of the cellulose, lignin and lignin-carbohydrates arrangements. These techniques could be used to investigate the lignocellulosic components distribution and consequently their recalcitrance in many applications where minimal sample manipulation and microscale chemical information is required

  6. Direct and simultaneous detection of organic and inorganic ingredients in herbal powder preparations by Fourier transform infrared microspectroscopic imaging.

    Science.gov (United States)

    Chen, Jian-Bo; Sun, Su-Qin; Tang, Xu-Dong; Zhang, Jing-Zhao; Zhou, Qun

    2016-08-05

    Herbal powder preparation is a kind of widely-used herbal product in the form of powder mixture of herbal ingredients. Identification of herbal ingredients is the first and foremost step in assuring the quality, safety and efficacy of herbal powder preparations. In this research, Fourier transform infrared (FT-IR) microspectroscopic identification method is proposed for the direct and simultaneous recognition of multiple organic and inorganic ingredients in herbal powder preparations. First, the reference spectrum of characteristic particles of each herbal ingredient is assigned according to FT-IR results and other available information. Next, a statistical correlation threshold is determined as the lower limit of correlation coefficients between the reference spectrum and a larger number of calibration characteristic particles. After validation, the reference spectrum and correlation threshold can be used to identify herbal ingredient in mixture preparations. A herbal ingredient is supposed to be present if correlation coefficients between the reference spectrum and some sample particles are above the threshold. Using this method, all kinds of herbal materials in powder preparation Kouqiang Kuiyang San are identified successfully. This research shows the potential of FT-IR microspectroscopic identification method for the accurate and quick identification of ingredients in herbal powder preparations. Copyright © 2016 Elsevier B.V. All rights reserved.

  7. Fourier transform infrared spectra applications to chemical systems

    CERN Document Server

    Ferraro, John R

    1978-01-01

    Fourier Transform Infrared Spectroscopy: Applications to Chemical Systems presents the chemical applications of the Fourier transform interferometry (FT-IR).The book contains discussions on the applications of FT-IR in the fields of chromatography FT-IR, polymers and biological macromolecules, emission spectroscopy, matrix isolation, high-pressure interferometry, and far infrared interferometry. The final chapter is devoted to the presentation of the use of FT-IR in solving national technical problems such as air pollution, space exploration, and energy related subjects.Researc

  8. Fourier Transform Infrared Spectroscopy Part III. Applications.

    Science.gov (United States)

    Perkins, W. D.

    1987-01-01

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

  9. Fourier transform infrared spectrophotometry and X-ray powder ...

    African Journals Online (AJOL)

    This study aimed at demonstrating complementary roles offered by both Fourier transform infrared (FTIR) spectrophotometry and x-ray powder diffraction (XRPD) techniques in characterizing clay size fraction of kaolins. The clay size fraction of kaolin samples obtained from Kgwakgwe, Makoro, Lobatse and Serule kaolin ...

  10. Fourier transform infrared (FTIR) spectroscopy for identification of ...

    African Journals Online (AJOL)

    Fourier transform infrared (FTIR) spectroscopy was used in this study to identify and determine spectral features of Chlorella vulgaris Beijerinck 1890 and Scenedesmus obliquus (Turpin) Kützing 1833. Two cultures were grown in a chemically-defined media under photoautotrophic culture conditions isolated from eutrophic ...

  11. Fourier transform infrared spectra applications to chemical systems

    CERN Document Server

    Ferraro, John R

    1985-01-01

    The final and largest volume to complete this four-volume treatise is published in response to the intense commercial and research interest in Fourier Transform Interferometry.Presenting current information from leading experts in the field, Volume 4 introduces new information on, for example, applications of Diffuse Reflectance Spectroscopy in the Far-Infrared Region. The editors place emphasis on surface studies and address advances in Capillary Gas Chromatography - Fourier Transform Interferometry.Volume 4 especially benefits spectroscopists and physicists, as well as researchers

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

    Science.gov (United States)

    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.

  13. Fourier transform based scalable image quality measure.

    Science.gov (United States)

    Narwaria, Manish; Lin, Weisi; McLoughlin, Ian; Emmanuel, Sabu; Chia, Liang-Tien

    2012-08-01

    We present a new image quality assessment (IQA) algorithm based on the phase and magnitude of the 2D (twodimensional) Discrete Fourier Transform (DFT). The basic idea is to compare the phase and magnitude of the reference and distorted images to compute the quality score. However, it is well known that the Human Visual Systems (HVSs) sensitivity to different frequency components is not the same. We accommodate this fact via a simple yet effective strategy of nonuniform binning of the frequency components. This process also leads to reduced space representation of the image thereby enabling the reduced-reference (RR) prospects of the proposed scheme. We employ linear regression to integrate the effects of the changes in phase and magnitude. In this way, the required weights are determined via proper training and hence more convincing and effective. Lastly, using the fact that phase usually conveys more information than magnitude, we use only the phase for RR quality assessment. This provides the crucial advantage of further reduction in the required amount of reference image information. The proposed method is therefore further scalable for RR scenarios. We report extensive experimental results using a total of 9 publicly available databases: 7 image (with a total of 3832 distorted images with diverse distortions) and 2 video databases (totally 228 distorted videos). These show that the proposed method is overall better than several of the existing fullreference (FR) algorithms and two RR algorithms. Additionally, there is a graceful degradation in prediction performance as the amount of reference image information is reduced thereby confirming its scalability prospects. To enable comparisons and future study, a Matlab implementation of the proposed algorithm is available at http://www.ntu.edu.sg/home/wslin/reduced_phase.rar.

  14. Depth-Dependent Anisotropies of Amides and Sugar in Perpendicular and Parallel Sections of Articular Cartilage by Fourier Transform Infrared Imaging (FTIRI)

    Science.gov (United States)

    Xia, Yang; Mittelstaedt, Daniel; Ramakrishnan, Nagarajan; Szarko, Matthew; Bidthanapally, Aruna

    2010-01-01

    Full thickness blocks of canine humeral cartilage were microtomed into both perpendicular sections and a series of 100 parallel sections, each 6 μm thick. Fourier Transform Infrared Imaging (FTIRI) was used to image each tissue section eleven times under different infrared polarizations (from 0° to 180° polarization states in 20° increments and with an additional 90° polarization), at a spatial resolution of 6.25 μm and a wavenumber step of 8 cm−1. With increasing depth from the articular surface, amide anisotropies increased in the perpendicular sections and decreased in the parallel sections. Both types of tissue sectioning identified a 90° difference between amide I and amide II in the superficial zone of cartilage. The fibrillar distribution in the parallel sections from the superficial zone was shown to not be random. Sugar had the greatest anisotropy in the upper part of the radial zone in the perpendicular sections. The depth-dependent anisotropic data were fitted with a theoretical equation that contained three signature parameters, which illustrate the arcade structure of collagens with the aid of a fibril model. Infrared imaging of both perpendicular and parallel sections provides the possibility of determining the three-dimensional macromolecular structures in articular cartilage. Being sensitive to the orientation of the macromolecular structure in healthy articular cartilage aids the prospect of detecting the early onset of the tissue degradation that may lead to pathological conditions such as osteoarthritis. PMID:21274999

  15. A fourier transform quality measure for iris images

    CSIR Research Space (South Africa)

    Makinana, S

    2014-08-01

    Full Text Available to ensure that good quality images are selected for feature extraction, in order to improve iris recognition system. In addition, this research proposes a measure of iris image quality using a Fourier Transform. The experimental results demonstrate...

  16. MgB2-Based Bolometer Array for Far Infra-Red Thermal Imaging and Fourier Transform Spectroscopy Applications

    Science.gov (United States)

    Lakew, B.; Aslam, S.; Brasunas, J.

    2012-01-01

    The mid-superconducting critical temperature (T(sub c) approximately 39 K) of the simple binary, intermetallic MgB, [1] makes it a very good candidate for the development of the next generation of electrooptical devices (e.g. [2]). In particular, recent advances in thin film deposition teclmiques to attain higb quality polycrystalline thin film MgB, deposited on SiN-Si substrates, with T(sub c) approximately 38K [3] coupled with the low voltage noise performance of the film [4] makes it higbly desirable for the development of moderately cooled bolometer arrays for integration into future space-bourne far infra-red (FIR) spectrometers and thermal mappers for studying the outer planets, their icy moons and other moons of interest in the 17-250 micrometer spectral wavelength range. Presently, commercially available pyroelectric detectors operating at 300 K have specific detectivity, D(*), around 7 x 10(exp 8) to 2 x 10(exp 9) centimeters square root of Hz/W. However, a MgB2 thin film based bolometer using a low-stress (less than 140 MPa) SiN membrane isolated from the substrate by a small thermal conductive link, operating at 38 K, promises to have two orders of magnitude higher specific detectivity [5][6].

  17. Fourier transform infrared studies in solid egg white lysozyme

    International Nuclear Information System (INIS)

    Rivzi, T.Z.

    1994-12-01

    Fourier Transform Infrared (FTIR) Spectroscopy is the most recent addition to the arsenal of bioanalytical techniques capable of providing information about the secondary structure of proteins in a variety of environments. FTIR spectra have been obtained in solid egg white lysozyme. The spectra display the usual amide I, II and III bands. Secondary structural information obtained from the spectra after applying resolution enhancement techniques to the amide I band has been found consistent with the x-ray crystallographic data of the protein and also to the spectroscopic data of the protein in aqueous solution. (author). 17 refs, 6 figs, 2 tabs

  18. Capillary supercritical fluid chromatography - Fourier transform infrared spectrometry

    International Nuclear Information System (INIS)

    Olesik, S.V.; French, S.B.; Movotny, M.

    1984-01-01

    One of the most demanding tasks asked of an analytical chemist today is to separate and identify the components of a nonvolatile complex mixture. An efficient separation technique combined with a universal detector that provides structural information, therefore, would be a great asset to analytical chemists. Capillary supercritical fluid chromatography (SFC) - Fourier transform infrared spectrometry (FTIR) shows great potential for being such a technique. SFC-FTIR shows great potential as a very powerful technique for separation and identification of thermally labile and nonvolatile compounds. Research is continuing in these labs to further optimize the technique. 2 refs

  19. Gas Measurement Using Static Fourier Transform Infrared Spectrometers.

    Science.gov (United States)

    Köhler, Michael H; Schardt, Michael; Rauscher, Markus S; Koch, Alexander W

    2017-11-13

    Online monitoring of gases in industrial processes is an ambitious task due to adverse conditions such as mechanical vibrations and temperature fluctuations. Whereas conventional Fourier transform infrared (FTIR) spectrometers use rather complex optical and mechanical designs to ensure stable operation, static FTIR spectrometers do not require moving parts and thus offer inherent stability at comparatively low costs. Therefore, we present a novel, compact gas measurement system using a static single-mirror Fourier transform spectrometer (sSMFTS). The system works in the mid-infrared range from 650 cm - 1 to 1250 cm - 1 and can be operated with a customized White cell, yielding optical path lengths of up to 120 cm for highly sensitive quantification of gas concentrations. To validate the system, we measure different concentrations of 1,1,1,2-Tetrafluoroethane (R134a) and perform a PLS regression analysis of the acquired infrared spectra. Thereby, the measured absorption spectra show good agreement with reference data. Since the system additionally permits measurement rates of up to 200 Hz and high signal-to-noise ratios, an application in process analysis appears promising.

  20. Fourier transform infrared imaging microspectroscopy and tissue-level mechanical testing reveal intraspecies variation in mouse bone mineral and matrix composition.

    Science.gov (United States)

    Courtland, Hayden-William; Nasser, Philip; Goldstone, Andrew B; Spevak, Lyudmila; Boskey, Adele L; Jepsen, Karl J

    2008-11-01

    Fracture susceptibility is heritable and dependent upon bone morphology and quality. However, studies of bone quality are typically overshadowed by emphasis on bone geometry and bone mineral density. Given that differences in mineral and matrix composition exist in a variety of species, we hypothesized that genetic variation in bone quality and tissue-level mechanical properties would also exist within species. Sixteen-week-old female A/J, C57BL/6J (B6), and C3H/HeJ (C3H) inbred mouse femora were analyzed using Fourier transform infrared imaging and tissue-level mechanical testing for variation in mineral composition, mineral maturity, collagen cross-link ratio, and tissue-level mechanical properties. A/J femora had an increased mineral-to-matrix ratio compared to B6. The C3H mineral-to-matrix ratio was intermediate of A/J and B6. C3H femora had reduced acid phosphate and carbonate levels and an increased collagen cross-link ratio compared to A/J and B6. Modulus values paralleled mineral-to-matrix values, with A/J femora being the most stiff, B6 being the least stiff, and C3H having intermediate stiffness. In addition, work-to-failure varied among the strains, with the highly mineralized and brittle A/J femora performing the least amount of work-to-failure. Inbred mice are therefore able to differentially modulate the composition of their bone mineral and the maturity of their bone matrix in conjunction with tissue-level mechanical properties. These results suggest that specific combinations of bone quality and morphological traits are genetically regulated such that mechanically functional bones can be constructed in different ways.

  1. [Continuum based fast Fourier transform processing of infrared spectrum].

    Science.gov (United States)

    Liu, Qing-Jie; Lin, Qi-Zhong; Wang, Qin-Jun; Li, Hui; Li, Shuai

    2009-12-01

    To recognize ground objects with infrared spectrum, high frequency noise removing is one of the most important phases in spectrum feature analysis and extraction. A new method for infrared spectrum preprocessing was given combining spectrum continuum processing and Fast Fourier Transform (CFFT). Continuum was firstly removed from the noise polluted infrared spectrum to standardize hyper-spectra. Then the spectrum was transformed into frequency domain (FD) with fast Fourier transform (FFT), separating noise information from target information After noise eliminating from useful information with a low-pass filter, the filtered FD spectrum was transformed into time domain (TD) with fast Fourier inverse transform. Finally the continuum was recovered to the spectrum, and the filtered infrared spectrum was achieved. Experiment was performed for chlorite spectrum in USGS polluted with two kinds of simulated white noise to validate the filtering ability of CFFT by contrast with cubic function of five point (CFFP) in time domain and traditional FFT in frequency domain. A circle of CFFP has limited filtering effect, so it should work much with more circles and consume more time to achieve better filtering result. As for conventional FFT, Gibbs phenomenon has great effect on preprocessing result at edge bands because of special character of rock or mineral spectra, while works well at middle bands. Mean squared error of CFFT is 0. 000 012 336 with cut-off frequency of 150, while that of FFT and CFFP is 0. 000 061 074 with cut-off frequency of 150 and 0.000 022 963 with 150 working circles respectively. Besides the filtering result of CFFT can be improved by adjusting the filter cut-off frequency, and has little effect on working time. The CFFT method overcomes the Gibbs problem of FFT in spectrum filtering, and can be more convenient, dependable, and effective than traditional TD filter methods.

  2. Quaternion Fourier transforms for signal and image processing

    CERN Document Server

    Ell, Todd A; Sangwine, Stephen J

    2014-01-01

    Based on updates to signal and image processing technology made in the last two decades, this text examines the most recent research results pertaining to Quaternion Fourier Transforms. QFT is a central component of processing color images and complex valued signals. The book's attention to mathematical concepts, imaging applications, and Matlab compatibility render it an irreplaceable resource for students, scientists, researchers, and engineers.

  3. A rheumatoid arthritis study by Fourier transform infrared spectroscopy

    Science.gov (United States)

    Carvalho, Carolina S.; Silva, Ana Carla A.; Santos, Tatiano J. P. S.; Martin, Airton A.; dos Santos Fernandes, Ana Célia; Andrade, Luís E.; Raniero, Leandro

    2012-01-01

    Rheumatoid arthritis is a systemic inflammatory disease of unknown causes and a new methods to identify it in early stages are needed. The main purpose of this work is the biochemical differentiation of sera between normal and RA patients, through the establishment of a statistical method that can be appropriately used for serological analysis. The human sera from 39 healthy donors and 39 rheumatics donors were collected and analyzed by Fourier Transform Infrared Spectroscopy. The results show significant spectral variations with p<0.05 in regions corresponding to protein, lipids and immunoglobulins. The technique of latex particles, coated with human IgG and monoclonal anti-CRP by indirect agglutination known as FR and CRP, was performed to confirm possible false-negative results within the groups, facilitating the statistical interpretation and validation of the technique.

  4. Analysis of cigarette smoke by Fourier transform infrared spectrometry

    Energy Technology Data Exchange (ETDEWEB)

    Maddox, W.L. (Oak Ridge National Lab., TN); Mamantov, G.

    1977-02-01

    The application of Fourier transform infrared spectrometry (FT-IR) to the quantitative determination of several components in the gas phase of whole, dilute tobacco smoke was demonstrated. The 18-cm absorption cell was part of a cigarette smoking system similar to the intermittent inhalation exposure devices used in smoking and health research with rodents. Concentrations were measured for carbon monoxide, carbon dioxide, methane, ethylene, and methanol in 7 to 22% smoke. The precision of a measurement in 22% smoke ranged from 3% for carbon dioxide to 34% for ethylene. Absorbances measured for isoprene and hydrogen cyanide followed expected concentrations in different cigarette smokes. It was shown that the concentrations of these components remain constant during a 30-s hold-up following each puff on the cigarettes.

  5. Surface analysis by Fourier-transform infrared (FTIR) spectroscopy

    International Nuclear Information System (INIS)

    Powell, G.L.; Smyrl, N.R.; Fuller, E.L.

    1981-01-01

    A diffuse-reflectance capability for the Fourier transform infrared spectrometer at the Y-12 Plant Laboratory has been implemented. A sample cell with a 25 to 400 0 C temperature-controlled sample stage and an ultrahigh-vacuum-to-atmospheric pressure gas-handling capability has been developed. Absorbance of light from the spectrometer beam, resulting from the beam being scattered from a powder sample, can be measured. This capability of detecting molecular species on and in powders is to be used to study chemisorption on actinide and rare-earth metals, alloys, and compounds. Cell design is described along with experiments demonstrating its performance in detecting moisture absorption on uranium oxide, moisture and carbon dioxide absorption on the lithium hydride/hydroxide system, and carbon dioxide absorption on potassium borohydride. 13 figures

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

    Science.gov (United States)

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

    2017-01-01

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

  7. Fourier transform infrared spectroscopy in physics laboratory courses

    International Nuclear Information System (INIS)

    Möllmann, K-P; Vollmer, M

    2013-01-01

    Infrared spectrometry is one of the most important tools in the field of spectroscopic analysis. This is due to the high information content of spectra in the so-called spectroscopic fingerprint region, which enables measurement not only of gases, but also of liquids and solids. Today, infrared spectroscopy is almost completely dominated by Fourier transform infrared (FTIR) spectroscopy. FTIR spectroscopy is able to detect minute quantities in the ppm and ppb ranges, and the respective analyses are now standard tools in science as well as industry. Therefore FTIR spectroscopy should be taught within the standard curriculum at university to physicists and engineers. Here we present respective undergraduate laboratory experiments designed for students at the end of their third year. Experiments deal first with understanding the spectrometer and second with recording and analysing spectra. On the one hand, transmission spectra of gases are treated which relate to environmental analytics (being probably the most prominent and well-known examples), and on the other hand, the focus is on the transmission and reflection spectra of solids. In particular, silicon wafers are studied—as is regularly done in the microelectronics industry—in order to characterize their thickness, oxygen content and phonon modes. (paper)

  8. Fourier Transform Infrared and Resonance Raman Spectroscopic Studies of Bacteriorhodopsin.

    Science.gov (United States)

    Earnest, Thomas Nixon

    Fourier transform infrared and resonance Raman spectroscopy were used to investigate the structure and function of the light-activated, transmembrane proton pump, bacteriorhodopsin, from the purple membrane of Halobacterium halobium. Bacteriorhodopsin (bR) is a 27,000 dalton integral membrane protein consisting of 248 amino acids with a retinylidene chromophore. Absorption of a photon leads to the translocation of one or two protons from the inside of the cell to the outside. Resonance Raman spectroscopy allows for the study of the configuration of retinal in bR and its photointermediates by the selective enhancement of vibrational modes of the chromophore. This technique was used to determine that the chromophore is attached to lysine-216 in both the bR _{570} and the M _{412} intermediates. In bR with tyrosine-64 selectively nitrated or aminated, the chromophore appears to have the same configuration in that bR _{570} (all- trans) and M _{412} (13- cis) states as it does in unmodified bR. Polarized Fourier transform infrared spectroscopy (FTIR) permits the study of the direction of transition dipole moments arising from molecular vibrations of the protein and the retinal chromophore. The orientation of alpha helical and beta sheet components was determined for bR with the average helical tilt found to lie mostly parallel to the membrane normal. The beta sheet structures also exhibit an IR linear dichroism for the amide I and amide II bands which suggest that the peptide backbone is mostly perpendicular to the membrane plane although it is difficult to determine whether the bands originate from sheet or turn components. The orientation of secondary structure components of the C-1 (residues 72-248) and C-2 (residues 1-71) fragments were also investigated to determine the structure of these putative membrane protein folding intermediates. Polarized, low temperature FTIR -difference spectroscopy was then used to investigate the structure of bR as it undergoes

  9. Fourier Transform Infrared Spectroscopy and Photoacoustic Spectroscopy for Saliva Analysis.

    Science.gov (United States)

    Mikkonen, Jopi J W; Raittila, Jussi; Rieppo, Lassi; Lappalainen, Reijo; Kullaa, Arja M; Myllymaa, Sami

    2016-09-01

    Saliva provides a valuable tool for assessing oral and systemic diseases, but concentrations of salivary components are very small, calling the need for precise analysis methods. In this work, Fourier transform infrared (FT-IR) spectroscopy using transmission and photoacoustic (PA) modes were compared for quantitative analysis of saliva. The performance of these techniques was compared with a calibration series. The linearity of spectrum output was verified by using albumin-thiocyanate (SCN(-)) solution at different SCN(-) concentrations. Saliva samples used as a comparison were obtained from healthy subjects. Saliva droplets of 15 µL were applied on the silicon sample substrate, 6 drops for each specimen, and dried at 37 ℃ overnight. The measurements were carried out using an FT-IR spectrometer in conjunction with an accessory unit for PA measurements. The findings with both transmission and PA modes mirror each other. The major bands presented were 1500-1750 cm(-1) for proteins and 1050-1200 cm(-1) for carbohydrates. In addition, the distinct spectral band at 2050 cm(-1) derives from SCN(-) anions, which is converted by salivary peroxidases to hypothiocyanate (OSCN(-)). The correlation between the spectroscopic data with SCN(-) concentration (r > 0.990 for transmission and r = 0.967 for PA mode) was found to be significant (P < 0.01), thus promising to be utilized in future applications. © The Author(s) 2016.

  10. Fourier transform digital holographic adaptive optics imaging system

    Science.gov (United States)

    Liu, Changgeng; Yu, Xiao; Kim, Myung K.

    2013-01-01

    A Fourier transform digital holographic adaptive optics imaging system and its basic principles are proposed. The CCD is put at the exact Fourier transform plane of the pupil of the eye lens. The spherical curvature introduced by the optics except the eye lens itself is eliminated. The CCD is also at image plane of the target. The point-spread function of the system is directly recorded, making it easier to determine the correct guide-star hologram. Also, the light signal will be stronger at the CCD, especially for phase-aberration sensing. Numerical propagation is avoided. The sensor aperture has nothing to do with the resolution and the possibility of using low coherence or incoherent illumination is opened. The system becomes more efficient and flexible. Although it is intended for ophthalmic use, it also shows potential application in microscopy. The robustness and feasibility of this compact system are demonstrated by simulations and experiments using scattering objects. PMID:23262541

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

    Science.gov (United States)

    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,...

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

    Science.gov (United States)

    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...

  13. Fourier transform infrared spectroscopy for Kona coffee authentication.

    Science.gov (United States)

    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.

  14. Advanced multivariate data evaluation for Fourier transform infrared spectroscopy

    International Nuclear Information System (INIS)

    Diewok, J.

    2002-12-01

    The objective of the presented dissertation was the evaluation, application and further development of advanced multivariate data evaluation methods for qualitative and quantitative Fourier transform infrared (FT-IR) measurements, especially of aqueous samples. The focus was set on 'evolving systems'; i.e. chemical systems that change gradually with a master variable, such as pH, reaction time, elution time, etc. and that are increasingly encountered in analytical chemistry. FT-IR measurements on such systems yield 2-way and 3-way data sets, i.e. data matrices and cubes. The chemometric methods used were soft-modeling techniques, like multivariate curve resolution - alternating least squares (MCR-ALS) or principal component analysis (PCA), hard modeling of equilibrium systems and two-dimensional correlation spectroscopy (2D-CoS). The research results are presented in six publications and comprise: A new combination of FT-IR flow titrations and second-order calibration by MCR-ALS for the quantitative analysis of mixture samples of organic acids and sugars. A novel combination of MCR-ALS with a hard-modeled equilibrium constraint for second-order quantitation in pH-modulated samples where analytes and interferences show very similar acid-base behavior. A detailed study in which MCR-ALS and 2D-CoS are directly compared for the first time. From the analysis of simulated and experimental acid-base equilibrium systems, the performance and interpretability of the two methods is evaluated. Investigation of the binding process of vancomycin, an important antibiotic, to a cell wall analogue tripeptide by time-resolved FT-IR spectroscopy and detailed chemometric evaluation. Determination of red wine constituents by liquid chromatography with FT-IR detection and MCR-ALS for resolution of overlapped peaks. Classification of red wine cultivars from FT-IR spectroscopy of phenolic wine extracts with hierarchical clustering and soft independent modeling of class analogy (SIMCA

  15. Multi-band Image Registration Method Based on Fourier Transform

    Institute of Scientific and Technical Information of China (English)

    庹红娅; 刘允才

    2004-01-01

    This paper presented a registration method based on Fourier transform for multi-band images which is involved in translation and small rotation. Although different band images differ a lot in the intensity and features,they contain certain common information which we can exploit. A model was given that the multi-band images have linear correlations under the least-square sense. It is proved that the coefficients have no effect on the registration progress if two images have linear correlations. Finally, the steps of the registration method were proposed. The experiments show that the model is reasonable and the results are satisfying.

  16. Analysis of the physical simulation on Fourier transform infrared spectrometer

    Science.gov (United States)

    Yue, Peng-yuan; Wan, Yu-xi; Zhao, Zhen

    2017-10-01

    A kind of oscillating arm type Fourier Transform Infrared Spectrometer (FTS) which based on the corner cube retroreflector is presented, and its principle and properties are studied. It consists of a pair of corner cube retroreflector, beam splitter and compensator. The optical path difference(OPD) is created by oscillating reciprocating motion of the moving corner cube pair, and the OPD value is four times the physical shift value of the moving corner cube pair. Due to the basic property of corner cube retroreflector, the oscillating arm type FTS has no tilt problems. It is almost ideal for very high resolution infrared spectrometer. However, there are some factors to reduce the FTS capability. First, wavefront aberration due to the figures of these surfaces will reduce modulation of FTS system; second, corner cube retroreflector consist of three plane mirror, and orthogonal to each other. When there is a deviation from right angle, it will reduced the modulation of system; third, the apexes of corner cube retroreflector are symmetric about the surface of beam splitter, if one or both of the corner cube retroreflector is displaced laterally from its nominal position, phase of off-axis rays returning from the two arms were difference, this also contributes to loss of modulation of system. In order to solve these problems, this paper sets up a non-sequential interference model, and a small amount of oscillating arm rotation is set to realize the dynamic simulation process, the dynamic interference energy data were acquired at different times, and calculated the modulation of the FTS system. In the simulation, the influence of wedge error of beam splitter, compensator or between them were discussed; effects of oscillating arm shaft deviation from the coplanar of beam splitter was analyzed; and compensation effect of corner cube retroreflector alignment on beam splitter, oscillating arm rotary shaft alignment error is analyzed. In addition, the adjustment procedure

  17. Hyperspectral imaging using the single-pixel Fourier transform technique

    Science.gov (United States)

    Jin, Senlin; Hui, Wangwei; Wang, Yunlong; Huang, Kaicheng; Shi, Qiushuai; Ying, Cuifeng; Liu, Dongqi; Ye, Qing; Zhou, Wenyuan; Tian, Jianguo

    2017-03-01

    Hyperspectral imaging technology is playing an increasingly important role in the fields of food analysis, medicine and biotechnology. To improve the speed of operation and increase the light throughput in a compact equipment structure, a Fourier transform hyperspectral imaging system based on a single-pixel technique is proposed in this study. Compared with current imaging spectrometry approaches, the proposed system has a wider spectral range (400-1100 nm), a better spectral resolution (1 nm) and requires fewer measurement data (a sample rate of 6.25%). The performance of this system was verified by its application to the non-destructive testing of potatoes.

  18. Thyroid lesions diagnosis by Fourier transformed infrared absorption spectroscopy (FTIR)

    International Nuclear Information System (INIS)

    Albero, Felipe Guimaraes

    2009-01-01

    Thyroid nodules are a common disorder, with 4-7% of incidence in the Brazilian population. Although the fine needle aspiration (FNA) is an accurate method for thyroid tumors diagnosis, the discrimination between benign and malignant neoplasm is currently not possible in some cases with high incidence of false negative diagnosis, leading to a surgical intervention due to the risk of carcinomas. The aim of this study was to verify if the Fourier Transform infrared spectroscopy (FTIR) can contribute to the diagnosis of thyroid carcinomas and goiters, using samples of tissue and aspirates. Samples of FNA, homogenates and tissues of thyroid nodules with histopathological diagnosis were obtained and prepared for FTIR spectroscopy analysis. The FNA and homogenates samples were measured by μ-FTIR (between 950 . 1750 cm -1 ), at a nominal resolution of 4 cm -1 and 120 scans). Tissue samples were analyzed directly by ATR-FTIR technique, at a resolution 2 cm -1 , with 60 scans in the same region. All spectra were corrected by the baseline and normalized by amides area (1550-1640 cm -1 ) in order to minimize variations of sample homogeneity. Then, spectra were converted into second derivatives using the Savitzk-Golay algorithm with a 13 points window. The Ward's minimum variance algorithm and Euclidean distances among the points were used for cluster analysis. Some FNA samples showed complex spectral pattern. All samples showed some cell pellets and large amount of hormone, represented by the bands of 1545 and 1655 cm -1 . Bands in 1409, 1412, 1414, 1578 and 1579 cm -1 were also found, indicating possible presence of sugar, DNA, citric acid or metabolic products. In this study, it was obtained an excellent separation between goiter and malign lesion for the samples of tissues, with 100% of specificity in specific cluster and 67% sensibility and 50 of specificity. In homogenate and FNA samples this sensibility and specificity were lower, because among these samples, it were

  19. The gridding method for image reconstruction by Fourier transformation

    International Nuclear Information System (INIS)

    Schomberg, H.; Timmer, J.

    1995-01-01

    This paper explores a computational method for reconstructing an n-dimensional signal f from a sampled version of its Fourier transform f. The method involves a window function w and proceeds in three steps. First, the convolution g = w * f is computed numerically on a Cartesian grid, using the available samples of f. Then, g = wf is computed via the inverse discrete Fourier transform, and finally f is obtained as g/w. Due to the smoothing effect of the convolution, evaluating w * f is much less error prone than merely interpolating f. The method was originally devised for image reconstruction in radio astronomy, but is actually applicable to a broad range of reconstructive imaging methods, including magnetic resonance imaging and computed tomography. In particular, it provides a fast and accurate alternative to the filtered backprojection. The basic method has several variants with other applications, such as the equidistant resampling of arbitrarily sampled signals or the fast computation of the Radon (Hough) transform

  20. Gaseous effluent monitoring and identification using an imaging Fourier transform spectrometer

    Energy Technology Data Exchange (ETDEWEB)

    Carter, M.R.; Bennett, C.L.; Fields, D.J.; Hernandez, J.

    1993-10-01

    We are developing an imaging Fourier transform spectrometer for chemical effluent monitoring. The system consists of a 2-D infrared imaging array in the focal plane of a Michelson interferometer. Individual images are coordinated with the positioning of a moving mirror in the Michelson interferometer. A three dimensional data cube with two spatial dimensions and one interferogram dimension is then Fourier transformed to produce a hyperspectral data cube with one spectral dimension and two spatial dimensions. The spectral range of the instrument is determined by the choice of optical components and the spectral range of the focal plane array. Measurements in the near UV, visible, near IR, and mid-IR ranges are possible with the existing instrument. Gaseous effluent monitoring and identification measurements will be primarily in the ``fingerprint`` region of the spectrum, ({lambda} = 8 to 12 {mu}m). Initial measurements of effluent using this imaging interferometer in the mid-IR will be presented.

  1. Image reconstruction from pairs of Fourier-transform magnitude

    International Nuclear Information System (INIS)

    Hunt, B.R.; Overman, T.L.; Gough, P.

    1998-01-01

    The retrieval of phase information from only the magnitude of the Fourier transform of a signal remains an important problem for many applications. We present an algorithm for phase retrieval when there exist two related sets of Fourier-transform magnitude data. The data are assumed to come from a single object observed in two different polarizations through a distorting medium, so the phase component of the Fourier transform of the object is corrupted. Phase retrieval is accomplished by minimization of a suitable criterion function, which can take three different forms. copyright 1998 Optical Society of America

  2. Non-rigid registration of tomographic images with Fourier transforms

    International Nuclear Information System (INIS)

    Osorio, Ar; Isoardi, Ra; Mato, G

    2007-01-01

    Spatial image registration of deformable body parts such as thorax and abdomen has important medical applications, but at the same time, it represents an important computational challenge. In this work we propose an automatic algorithm to perform non-rigid registration of tomographic images using a non-rigid model based on Fourier transforms. As a measure of similarity, we use the correlation coefficient, finding that the optimal order of the transformation is n = 3 (36 parameters). We apply this method to a digital phantom and to 7 pairs of patient images corresponding to clinical CT scans. The preliminary results indicate a fairly good agreement according to medical experts, with an average registration error of 2 mm for the case of clinical images. For 2D images (dimensions 512x512), the average running time for the algorithm is 15 seconds using a standard personal computer. Summarizing, we find that intra-modality registration of the abdomen can be achieved with acceptable accuracy for slight deformations and can be extended to 3D with a reasonable execution time

  3. Development of secondary cell wall in cotton fibers as examined with Fourier transform-infrared spectroscopy

    Science.gov (United States)

    Our presentation will focus on continuing efforts to examine secondary cell wall development in cotton fibers using infrared Spectroscopy. Cotton fibers harvested at 18, 20, 24, 28, 32, 36 and 40 days after flowering were examined using attenuated total reflection Fourier transform-infrared (ATR FT-...

  4. Physiological response of Arundo donax to cadmium stress by Fourier transform infrared spectroscopy.

    Science.gov (United States)

    Yu, Shunhui; Sheng, Li; Zhang, Chunyan; Deng, Hongping

    2018-06-05

    The present paper deals with the physiological response of the changes in chemical contents of the root, stem and leaf of Arundo donax seedlings stressed by excess cadmium using Fourier transform infrared spectroscopy technique, cadmium accumulation in plant by atomic absorption spectroscopy were tested after different concentrations cadmium stress. The results showed that low cadmium concentrations (Fourier transform infrared spectroscopy technique for the non-invasive and rapid monitoring of the plants stressed with heavy metals, Arundo donax is suitable for phytoremediation of cadmium -contaminated wetland. Copyright © 2018 Elsevier B.V. All rights reserved.

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

    Science.gov (United States)

    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.

  6. Fourier transform infrared spectroscopic estimation of crystallinity in ...

    Indian Academy of Sciences (India)

    Wintec

    The crystallinity parameter is calculated by using a standard procedure which can be used to estimate the distribution of quartz in various rocks for mining purpose. The infrared ... The X-ray diffraction full ... crystallinity and trace mineral components of rocks (Partha- ... infrared techniques (Rice et al 1995). ... The absorption.

  7. Fourier-transform infrared anisotropy in cross and parallel sections of tendon and articular cartilage

    Directory of Open Access Journals (Sweden)

    Bidthanapally Aruna

    2008-10-01

    Full Text Available Abstract Background Fourier Transform Infrared Imaging (FTIRI is used to investigate the amide anisotropies at different surfaces of a three-dimensional cartilage or tendon block. With the change in the polarization state of the incident infrared light, the resulting anisotropic behavior of the tissue structure is described here. Methods Thin sections (6 μm thick were obtained from three different surfaces of the canine tissue blocks and imaged at 6.25 μm pixel resolution. For each section, infrared imaging experiments were repeated thirteen times with the identical parameters except a 15° increment of the analyzer's angle in the 0° – 180° angular space. The anisotropies of amide I and amide II components were studied in order to probe the orientation of the collagen fibrils at different tissue surfaces. Results For tendon, the anisotropy of amide I and amide II components in parallel sections is comparable to that of regular sections; and tendon's cross sections show distinct, but weak anisotropic behavior for both the amide components. For articular cartilage, parallel sections in the superficial zone have the expected infrared anisotropy that is consistent with that of regular sections. The parallel sections in the radial zone, however, have a nearly isotropic amide II absorption and a distinct amide I anisotropy. Conclusion From the inconsistency in amide anisotropy between superficial to radial zone in parallel section results, a schematic model is used to explain the origins of these amide anisotropies in cartilage and tendon.

  8. Fourier-transform infrared spectroscopic studies of dithia ...

    Indian Academy of Sciences (India)

    We present here infrared absorption spectra of dithia tetraphenylporphine and its cation in the 450-1600 and 2900-3400 cm-1 regions. Most of the allowed IR bands are observed in pairs due to overall 2ℎ point group symmetry of the molecule. The observed bands have been assigned to the porphyrin skeleton and phenyl ...

  9. Fourier-transform infrared spectroscopic studies of dithia ...

    Indian Academy of Sciences (India)

    Unknown

    limited region 1000–1150 cm–1.10 Therefore, in the present paper we report and analyse Fourier-trans- form infrared (FT-IR) spectra of S2TPP and its chemically prepared cation. 2. Experimental. Dithia tetraphenyl porphyrine was received from. Professor A L Verma as a gift and used without fur- ther purification. However ...

  10. Fourier transform infrared spectroscopic estimation of crystallinity in ...

    Indian Academy of Sciences (India)

    We present here optical properties and crystallinity index of quartz (SiO2) in natural rocks samples from the Mikir and Khasi hills, Assam, India. Infrared spectroscopy has been used to study the structure of quartz in rock samples and estimate the mining quality of quartz mineral, which is substantiated by calculating the ...

  11. PARTICULATE MATTER MEASUREMENTS USING OPEN-PATH FOURIER TRANSFORM INFRARED SPECTROSCOPY

    Science.gov (United States)

    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 ...

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

    Science.gov (United States)

    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.

  13. Fourier transform infrared emission spectra of atomic rubidium: g- and h-states

    Czech Academy of Sciences Publication Activity Database

    Civiš, Svatopluk; Ferus, Martin; Kubelík, Petr; Chernov, Vladislav E.; Zanozina, Ekaterina M.

    2012-01-01

    Roč. 45, č. 17 (2012), s. 175002 ISSN 0953-4075 R&D Projects: GA AV ČR IAAX00100903 Institutional support: RVO:61388955 Keywords : Fourier transform infrared emission spectra * atomic rubidium * physical chemistry Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 2.031, year: 2012

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

    Science.gov (United States)

    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...

  15. On the oxidation mechanism of microcrystalline silicon thin films studied by Fourier transform infrared spectroscopy

    NARCIS (Netherlands)

    Bronneberg, A. C.; Smets, A. H. M.; Creatore, M.; M. C. M. van de Sanden,

    2011-01-01

    Insight into the oxidation mechanism of microcrystalline silicon thin films has been obtained by means of Fourier transform infrared spectroscopy. The films were deposited by using the expanding thermal plasma and their oxidation upon air exposure was followed in time. Transmission spectra were

  16. Study of cancer cell lines with Fourier transform infrared (FTIR)/vibrational absorption (VA) spectroscopy

    DEFF Research Database (Denmark)

    Uceda Otero, E. P.; Eliel, G. S. N.; Fonseca, E. J. S.

    2013-01-01

    In this work we have used Fourier transform infrared (FTIR) / vibrational absorption (VA) spectroscopy to study two cancer cell lines: the Henrietta Lacks (HeLa) human cervix carcinoma and 5637 human bladder carcinoma cell lines. Our goal is to experimentally investigate biochemical changes...

  17. Fourier Transform Infrared (FT-IR) and Laser Ablation Inductively Coupled Plasma-Mass Spectrometry (LA-ICP-MS) Imaging of Cerebral Ischemia: Combined Analysis of Rat Brain Thin Cuts Toward Improved Tissue Classification.

    Science.gov (United States)

    Balbekova, Anna; Lohninger, Hans; van Tilborg, Geralda A F; Dijkhuizen, Rick M; Bonta, Maximilian; Limbeck, Andreas; Lendl, Bernhard; Al-Saad, Khalid A; Ali, Mohamed; Celikic, Minja; Ofner, Johannes

    2018-02-01

    Microspectroscopic techniques are widely used to complement histological studies. Due to recent developments in the field of chemical imaging, combined chemical analysis has become attractive. This technique facilitates a deepened analysis compared to single techniques or side-by-side analysis. In this study, rat brains harvested one week after induction of photothrombotic stroke were investigated. Adjacent thin cuts from rats' brains were imaged using Fourier transform infrared (FT-IR) microspectroscopy and laser ablation inductively coupled plasma mass spectrometry (LA-ICP-MS). The LA-ICP-MS data were normalized using an internal standard (a thin gold layer). The acquired hyperspectral data cubes were fused and subjected to multivariate analysis. Brain regions affected by stroke as well as unaffected gray and white matter were identified and classified using a model based on either partial least squares discriminant analysis (PLS-DA) or random decision forest (RDF) algorithms. The RDF algorithm demonstrated the best results for classification. Improved classification was observed in the case of fused data in comparison to individual data sets (either FT-IR or LA-ICP-MS). Variable importance analysis demonstrated that both molecular and elemental content contribute to the improved RDF classification. Univariate spectral analysis identified biochemical properties of the assigned tissue types. Classification of multisensor hyperspectral data sets using an RDF algorithm allows access to a novel and in-depth understanding of biochemical processes and solid chemical allocation of different brain regions.

  18. Fourier transform infrared absorption spectroscopy characterization of gaseous atmospheric pressure plasmas with 2 mm spatial resolution

    Energy Technology Data Exchange (ETDEWEB)

    Laroche, G. [Laboratoire d' Ingenierie de Surface, Centre de Recherche sur les Materiaux Avances, Departement de genie des mines, de la metallurgie et des materiaux, Universite Laval, 1065, avenue de la Medecine, Quebec G1V 0A6 (Canada); Centre de recherche du CHUQ, Hopital St Francois d' Assise, 10, rue de l' Espinay, local E0-165, Quebec G1L 3L5 (Canada); Vallade, J. [Laboratoire Procedes, Materiaux et Energie Solaire, PROMES, CNRS, Technosud, Rambla de la Thermodynamique, F-66100 Perpignan (France); Agence de l' environnement et de la Ma Latin-Small-Letter-Dotless-I -carettrise de l' Energie, 20, avenue du Gresille, BP 90406, F-49004 Angers Cedex 01 (France); Bazinette, R.; Hernandez, E.; Hernandez, G.; Massines, F. [Laboratoire Procedes, Materiaux et Energie Solaire, PROMES, CNRS, Technosud, Rambla de la Thermodynamique, F-66100 Perpignan (France); Nijnatten, P. van [OMT Solutions bv, High Tech Campus 9, 5656AE Eindhoven (Netherlands)

    2012-10-15

    This paper describes an optical setup built to record Fourier transform infrared (FTIR) absorption spectra in an atmospheric pressure plasma with a spatial resolution of 2 mm. The overall system consisted of three basic parts: (1) optical components located within the FTIR sample compartment, making it possible to define the size of the infrared beam (2 mm Multiplication-Sign 2 mm over a path length of 50 mm) imaged at the site of the plasma by (2) an optical interface positioned between the spectrometer and the plasma reactor. Once through the plasma region, (3) a retro-reflector module, located behind the plasma reactor, redirected the infrared beam coincident to the incident path up to a 45 Degree-Sign beamsplitter to reflect the beam toward a narrow-band mercury-cadmium-telluride detector. The antireflective plasma-coating experiments performed with ammonia and silane demonstrated that it was possible to quantify 42 and 2 ppm of these species in argon, respectively. In the case of ammonia, this was approximately three times less than this gas concentration typically used in plasma coating experiments while the silane limit of quantification was 35 times lower. Moreover, 70% of the incoming infrared radiation was focused within a 2 mm width at the site of the plasma, in reasonable agreement with the expected spatial resolution. The possibility of reaching this spatial resolution thus enabled us to measure the gaseous precursor consumption as a function of their residence time in the plasma.

  19. Photoacoustic Fourier Transform Infrared (FTIR) Spectroscopy Of Solids

    Science.gov (United States)

    Vidrine, D. Warren

    1981-10-01

    After discovering the photoacoustic effect, Alexander Graham Bell predicted its use in spectrometers, and that it would find its greatest utility "in the ultra-red." More than ninety years were required to fulfil his first prediction, and the second is still a prophecy. There is no record whether he ever imagined that an invention being developed that same winter by a young protege of his named Albert Michelson would ever be combined with his photoacoustic effect. A century later, the combination was made by Farrow Burnham, and Eyring, using a visible-range interferometer spectrometer of their own design. Soon afterwards, Rockley and myself, working independently, applied the technique to infrared measurements of solid samples. Photoacoustic cells are now commercially available as FT-IR accessories, and the technique is in use in the field.

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

    Science.gov (United States)

    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).

  1. Fourier transform infrared spectroscopy of dental unit water line biofilm bacteria

    OpenAIRE

    Liaqat, Iram

    2009-01-01

    Fourier transform-infrared (FT-IR) spectroscopy has become an important tool for rapid analysis of complex biological samples. The infrared absorbance spectrum could be regarded as a “fingerprint” which is a feature of biochemical substances. The FT-IR spectra of fresh and stored dried samples of six bacterial isolates (Klebsiella sp., Bacillus cereus, Bacillus subtilis, Pseudomonas aeruginosa, Achromobacter xylosoxidans and Achromobacter sp.) were observed by variation in sample preparation....

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

    Science.gov (United States)

    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.

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

    Science.gov (United States)

    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 ...

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

    Science.gov (United States)

    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.

  5. Mix ratio measurements of pozzolanic blends by Fourier transform infrared-attenuated total reflectance method

    International Nuclear Information System (INIS)

    Rebagay, T.V.; Dodd, D.A.

    1992-07-01

    The disposal of low-level radioactive liquid wastes at the Hanford Site near Richland, Washington, involves mixing the wastes with pozzolanic grout-forming solid blends. Checking the quality of each blend component and its mix ratio will ensure processibility of the blend and the long-term performance of the resulting waste grout. In earlier work at Hanford laboratories, Fourier transform infrared-transmission method (FTIR-TR) using KBr pellet was applied successfully in the analysis of blends consisting of cement, fly ash, and clays. This method involves time-consuming sample preparation resulting in slow turnaround for repetitive sampling. Because reflection methods do not require elaborate sample preparation, they have the potential to reduce turnaround analysis time. Neat samples may be examined making these methods attractive for quality control. This study investigates the capability of Fourier transform infrared-attenuated total reflectance method (FTIR-ATR) to analyze pozzolanic blends

  6. Characterization of ceramic matrix composite degradation using Fourier transform infrared spectroscopy

    Science.gov (United States)

    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.

  7. Multivariate Calibration and Model Integrity for Wood Chemistry Using Fourier Transform Infrared Spectroscopy

    OpenAIRE

    Zhou, Chengfeng; Jiang, Wei; Cheng, Qingzheng; Via, Brian K.

    2015-01-01

    This research addressed a rapid method to monitor hardwood chemical composition by applying Fourier transform infrared (FT-IR) spectroscopy, with particular interest in model performance for interpretation and prediction. Partial least squares (PLS) and principal components regression (PCR) were chosen as the primary models for comparison. Standard laboratory chemistry methods were employed on a mixed genus/species hardwood sample set to collect the original data. PLS was found to provide bet...

  8. Fourier transform infrared spectroscopic study of intact cells of the nitrogen-fixing bacterium Azospirillum brasilense

    Science.gov (United States)

    Kamnev, A. A.; Ristić, M.; Antonyuk, L. P.; Chernyshev, A. V.; Ignatov, V. V.

    1997-06-01

    The data of Fourier transform infrared (FTIR) spectroscopic measurements performed on intact cells of the soil nitrogen-fixing bacterium Azospirillum brasilense grown in a standard medium and under the conditions of an increased metal uptake are compared and discussed. The structural FTIR information obtained is considered together with atomic absorption spectrometry (AAS) data on the content of metal cations in the bacterial cells. Some methodological aspects concerning preparation of bacterial cell samples for FTIR measurements are also discussed.

  9. Prediction of valid acidity in intact apples with Fourier transform near infrared spectroscopy*

    OpenAIRE

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

    2005-01-01

    To develop nondestructive acidity prediction for intact Fuji apples, the potential of Fourier transform near infrared (FT-NIR) method with fiber optics in interactance mode was investigated. Interactance in the 800 nm to 2619 nm region was measured for intact apples, harvested from early to late maturity stages. Spectral data were analyzed by two multivariate calibration techniques including partial least squares (PLS) and principal component regression (PCR) methods. A total of 120 Fuji appl...

  10. Solubilization of spider silk proteins and its structural analysis using Fourier transform infrared spectroscopy

    Science.gov (United States)

    Osbin, K.; Jayan, Manuel; Bhadrakumari, S.; Predeep, P.

    2017-06-01

    This study investigates the presence of various amide bands present in different spider silk species, which provides extraordinary physical properties. Three different spider silks were collected from Western Ghats region. The collected spider silks samples belonging to the spider Heteropoda venatoria (species 1), Hersilia savignyi (species 2) and Pholcus phalangioides (species 3). Fourier transform infrared (FTIR) spectra reveals the protein peaks in the amide I, II, and III regions in all the three types of spider silk species.

  11. Physiological response of Arundo donax to cadmium stress by Fourier transform infrared spectroscopy

    Science.gov (United States)

    Yu, Shunhui; Sheng, Li; Zhang, Chunyan; Deng, Hongping

    2018-06-01

    The present paper deals with the physiological response of the changes in chemical contents of the root, stem and leaf of Arundo donax seedlings stressed by excess cadmium using Fourier transform infrared spectroscopy technique, cadmium accumulation in plant by atomic absorption spectroscopy were tested after different concentrations cadmium stress. The results showed that low cadmium concentrations (spectroscopy technique for the non-invasive and rapid monitoring of the plants stressed with heavy metals, Arundo donax is suitable for phytoremediation of cadmium -contaminated wetland.

  12. Fourier Transform Infrared Radiation Spectroscopy Applied for Wood Rot Decay and Mould Fungi Growth Detection

    OpenAIRE

    Jelle, Bjørn Petter; Hovde, Per Jostein

    2012-01-01

    Material characterization may be carried out by the attenuated total reflectance (ATR) Fourier transform infrared (FTIR) radiation spectroscopical technique, which represents a powerful experimental tool. The ATR technique may be applied on both solid state materials, liquids, and gases with none or only minor sample preparations, also including materials which are nontransparent to IR radiation. This facilitation is made possible by pressing the sample directly onto various crystals, for exa...

  13. Principle and analysis of a rotational motion Fourier transform infrared spectrometer

    Science.gov (United States)

    Cai, Qisheng; Min, Huang; Han, Wei; Liu, Yixuan; Qian, Lulu; Lu, Xiangning

    2017-09-01

    Fourier transform infrared spectroscopy is an important technique in studying molecular energy levels, analyzing material compositions, and environmental pollutants detection. A novel rotational motion Fourier transform infrared spectrometer with high stability and ultra-rapid scanning characteristics is proposed in this paper. The basic principle, the optical path difference (OPD) calculations, and some tolerance analysis are elaborated. The OPD of this spectrometer is obtained by the continuously rotational motion of a pair of parallel mirrors instead of the translational motion in traditional Michelson interferometer. Because of the rotational motion, it avoids the tilt problems occurred in the translational motion Michelson interferometer. There is a cosine function relationship between the OPD and the rotating angle of the parallel mirrors. An optical model is setup in non-sequential mode of the ZEMAX software, and the interferogram of a monochromatic light is simulated using ray tracing method. The simulated interferogram is consistent with the theoretically calculated interferogram. As the rotating mirrors are the only moving elements in this spectrometer, the parallelism of the rotating mirrors and the vibration during the scan are analyzed. The vibration of the parallel mirrors is the main error during the rotation. This high stability and ultra-rapid scanning Fourier transform infrared spectrometer is a suitable candidate for airborne and space-borne remote sensing spectrometer.

  14. Fourier Transformed Infra-Red Imaging of Femoral Neck Bone: Reduced Heterogeneity of Mineral-to-Matrix and Carbonate-to-Phosphate and more Variable Crystallinity in Treatment-Naïve Fracture Cases compared to Fracture-Free Controls

    Science.gov (United States)

    Gourion-Arsiquaud, Samuel; Lukashova, Lyudmilla; Power, Jon; Loveridge, Nigel; Reeve, Jonathan; Boskey, Adele L.

    2012-01-01

    After age 60 hip fracture risk strongly increases, but only a fifth of this increase is attributable to reduced mineral density (BMD, measured clinically). Changes in bone quality, specifically bone composition as measured by Fourier Transform Infrared spectroscopic imaging (FTIRI), also contribute to fracture risk. Here, FTIRI was applied to study the femoral neck and provide spatially derived information on its mineral and matrix properties in age-matched fractured and non-fractured bones. Whole femoral neck cross sections, divided into quadrants along the neck’s axis, from 10 women with hip fracture and 10 cadaveric controls were studied using FTIRI and micro-computed Tomography. Although 3-dimensional micro-CT bone mineral densities were similar, the mineral-to-matrix ratio was reduced in the cases of hip fracture, confirming previous reports. New findings were that the FTIRI microscopic variation (heterogeneity) of the mineral-to-matrix ratio was substantially reduced in the fracture group as was the heterogeneity of the carbonate-to-phosphate ratio. Conversely, the heterogeneity of crystallinity was increased. Increased variation of crystallinity was statistically associated with reduced variation of the carbonate-to-phosphate ratio. Anatomical variation in these properties between the different femoral neck quadrants was reduced in the fracture group compared to controls. While our treatment-naïve patients had reduced rather than increased bending resistance, these changes in heterogeneity associated with hip fracture are in another way comparable to the effects of experimental bisphosphonate therapy, which decreases heterogeneity and other indicators of bone’s toughness as a material. PMID:22865771

  15. Fourier transform infrared imaging of femoral neck bone: reduced heterogeneity of mineral-to-matrix and carbonate-to-phosphate and more variable crystallinity in treatment-naive fracture cases compared with fracture-free controls.

    Science.gov (United States)

    Gourion-Arsiquaud, Samuel; Lukashova, Lyudmilla; Power, Jon; Loveridge, Nigel; Reeve, Jonathan; Boskey, Adele L

    2013-01-01

    After the age of 60 years, hip fracture risk strongly increases, but only a fifth of this increase is attributable to reduced bone mineral density (BMD, measured clinically). Changes in bone quality, specifically bone composition as measured by Fourier transform infrared spectroscopic imaging (FTIRI), also contribute to fracture risk. Here, FTIRI was applied to study the femoral neck and provide spatially derived information on its mineral and matrix properties in age-matched fractured and nonfractured bones. Whole femoral neck cross sections, divided into quadrants along the neck's axis, from 10 women with hip fracture and 10 cadaveric controls were studied using FTIRI and micro-computed tomography. Although 3-dimensional micro-CT bone mineral densities were similar, the mineral-to-matrix ratio was reduced in the cases of hip fracture, confirming previous reports. New findings were that the FTIRI microscopic variation (heterogeneity) of the mineral-to-matrix ratio was substantially reduced in the fracture group as was the heterogeneity of the carbonate-to-phosphate ratio. Conversely, the heterogeneity of crystallinity was increased. Increased variation of crystallinity was statistically associated with reduced variation of the carbonate-to-phosphate ratio. Anatomical variation in these properties between the different femoral neck quadrants was reduced in the fracture group compared with controls. Although our treatment-naive patients had reduced rather than increased bending resistance, these changes in heterogeneity associated with hip fracture are in another way comparable to the effects of experimental bisphosphonate therapy, which decreases heterogeneity and other indicators of bone's toughness as a material. Copyright © 2013 American Society for Bone and Mineral Research.

  16. 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.

    Science.gov (United States)

    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.

  17. Instrumental concept and preliminary performances of SIFTI: static infrared fourier transform interferometer

    Science.gov (United States)

    Hébert, Philippe-Jean; Cansot, E.; Pierangelo, C.; Buil, C.; Bernard, F.; Loesel, J.; Trémas, T.; Perrin, L.; Courau, E.; Casteras, C.; Maussang, I.; Simeoni, D.

    2017-11-01

    The SIFTI (Static Infrared Fourier Transform Interferometer) instrument aims at supporting an important part in a mission for atmospheric pollution sounding from space, by providing high spectral resolution and high Signal to Noise Ratio spectra of the atmosphere. They will allow to resolve tropospheric profiles of ozone (03) and carbon monoxide (C0), especially down to the planetary boundary layer (PBL), an altitude region of very high interest, though poorly monitored to date, for air quality and pollution monitoring. The retrieved profile of ozone, resp. C0, will contain 5 to 7, resp. 2.5 to 4, independent pieces of information. The French space agency CNES (Centre National d'Etudes Spatiales) has proposed and is studying an instrument concept for SIFTI based on a static interferometer, where the needed optical path are generated by a pair of crossed staircase fixed mirrors (replacing the moving reflector of dynamic Fourier transform interferometers like IASI or MIPAS). With the SIFTI design, a very high spectral resolution ( 0.1 cm-1 apodised) is achieved in a very compact optical setup, allowing a large throughput, hence a high SNR. The measurements are performed in the 9.5 μm band for 03 and in the 4.6 μm band for C0. The science return of the sounder can be further increased if an "intelligent pointing" process is implemented. This consists in combining the TIR sounder with a companion TIR imager, providing information on the cloud coverage in the next observed scene. 0nboard, real-time analysis of the IR image is used to command the sounder staring mirror to cloud free areas, which will maximize the probability for probing down to the surface. After the first part of the phase A, the architecture of SIFTI was studied as a trade-off between performance and resource budget. We review the main architecture and functional choices, and their advantages. The preliminary instrument concept is then presented in its main aspects and in terms of main subsystem

  18. Applications of Micro-Fourier Transform Infrared Spectroscopy (FTIR) in the Geological Sciences—A Review

    Science.gov (United States)

    Chen, Yanyan; Zou, Caineng; Mastalerz, Maria; Hu, Suyun; Gasaway, Carley; Tao, Xiaowan

    2015-01-01

    Fourier transform infrared spectroscopy (FTIR) can provide crucial information on the molecular structure of organic and inorganic components and has been used extensively for chemical characterization of geological samples in the past few decades. In this paper, recent applications of FTIR in the geological sciences are reviewed. Particularly, its use in the characterization of geochemistry and thermal maturation of organic matter in coal and shale is addressed. These investigations demonstrate that the employment of high-resolution micro-FTIR imaging enables visualization and mapping of the distributions of organic matter and minerals on a micrometer scale in geological samples, and promotes an advanced understanding of heterogeneity of organic rich coal and shale. Additionally, micro-FTIR is particularly suitable for in situ, non-destructive characterization of minute microfossils, small fluid and melt inclusions within crystals, and volatiles in glasses and minerals. This technique can also assist in the chemotaxonomic classification of macrofossils such as plant fossils. These features, barely accessible with other analytical techniques, may provide fundamental information on paleoclimate, depositional environment, and the evolution of geological (e.g., volcanic and magmatic) systems. PMID:26694380

  19. Applications of Micro-Fourier Transform Infrared Spectroscopy (FTIR in the Geological Sciences—A Review

    Directory of Open Access Journals (Sweden)

    Yanyan Chen

    2015-12-01

    Full Text Available Fourier transform infrared spectroscopy (FTIR can provide crucial information on the molecular structure of organic and inorganic components and has been used extensively for chemical characterization of geological samples in the past few decades. In this paper, recent applications of FTIR in the geological sciences are reviewed. Particularly, its use in the characterization of geochemistry and thermal maturation of organic matter in coal and shale is addressed. These investigations demonstrate that the employment of high-resolution micro-FTIR imaging enables visualization and mapping of the distributions of organic matter and minerals on a micrometer scale in geological samples, and promotes an advanced understanding of heterogeneity of organic rich coal and shale. Additionally, micro-FTIR is particularly suitable for in situ, non-destructive characterization of minute microfossils, small fluid and melt inclusions within crystals, and volatiles in glasses and minerals. This technique can also assist in the chemotaxonomic classification of macrofossils such as plant fossils. These features, barely accessible with other analytical techniques, may provide fundamental information on paleoclimate, depositional environment, and the evolution of geological (e.g., volcanic and magmatic systems.

  20. Slow Light Based On-Chip High Resolution Fourier Transform Spectrometer For Geostationary Imaging of Atmospheric Greenhouse Gases, Phase I

    Data.gov (United States)

    National Aeronautics and Space Administration — Fourier transform spectroscopy (FTS) in infrared wavelength range is an effective measure for global greenhouse gas monitoring. However, conventional FTS instruments...

  1. State of dissolved water in triglycerides as determined by Fourier transform infrared and near infrared spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Kurashige, J. (Ajinomoto Co. Inc., Tokyo (Japan)); Takaoka, K.; Takasago, M.; Taru, Y.; Kobayashi, K. (Musashi Institute of Technology, Tokyo (Japan))

    1991-07-20

    The states of dissolved water in triglycerides (TG) such as tristearin, triolein, trilinolein and trilinolenin were analyzed by Fourier transform infrared (FT-IR) and near infrared (FT-NIR) spectroscopy, and compared with those of water itself. In the case of water, its states were considered to be mainly polymer clusters larger than dimer ones at 20{degree}C, and mostly monomer or dimer clusters at 120{degree}C. In TG, the states varied widely from monomer to polymer clusters at 20{degree}C. The distribution ratios of the water clusters observed in TG depended on the kinds of fatty acids of TG, and the water state was noted to change due to the interaction between unsaturated bonds and dissolved water. Although the states of dissolved water in trilinolein were similar to those of original water at 20{degree}C, the ratio of monomer water decreased and polymer clusters bigger than those in original water increased with an increase in number of unsaturated bonds of TG. 9 refs., 6 figs., 3 tabs.

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

    Science.gov (United States)

    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...

  3. Source brightness fluctuation correction of solar absorption fourier transform mid infrared spectra

    Directory of Open Access Journals (Sweden)

    T. Ridder

    2011-06-01

    Full Text Available The precision and accuracy of trace gas observations using solar absorption Fourier Transform infrared spectrometry depend on the stability of the light source. Fluctuations in the source brightness, however, cannot always be avoided. Current correction schemes, which calculate a corrected interferogram as the ratio of the raw DC interferogram and a smoothed DC interferogram, are applicable only to near infrared measurements. Spectra in the mid infrared spectral region below 2000 cm−1 are generally considered uncorrectable, if they are measured with a MCT detector. Such measurements introduce an unknown offset to MCT interferograms, which prevents the established source brightness fluctuation correction. This problem can be overcome by a determination of the offset using the modulation efficiency of the instrument. With known modulation efficiency the offset can be calculated, and the source brightness correction can be performed on the basis of offset-corrected interferograms. We present a source brightness fluctuation correction method which performs the smoothing of the raw DC interferogram in the interferogram domain by an application of a running mean instead of high-pass filtering the corresponding spectrum after Fourier transformation of the raw DC interferogram. This smoothing can be performed with the onboard software of commercial instruments. The improvement of MCT spectra and subsequent ozone profile and total column retrievals is demonstrated. Application to InSb interferograms in the near infrared spectral region proves the equivalence with the established correction scheme.

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

    Energy Technology Data Exchange (ETDEWEB)

    Er, A.; Güzelçimen, F.; Başar, Gö.; Öztürk, I. K. [Faculty of Science, Physics Department, Istanbul University, TR-34134 Vezneciler, Istanbul (Turkey); Tamanis, M.; Ferber, R. [Laser Centre, The University of Latvia, Rainis Boulevard 19, LV-1586 Riga (Latvia); Kröger, S., E-mail: gbasar@istanbul.edu.tr, E-mail: sophie.kroeger@htw-berlin.de [Hochschule für Technik und Wirtschaft Berlin, Wilhelminenhofstrasse 75A, D-12459 Berlin (Germany)

    2015-11-15

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

  5. Far-infrared Fourier Transform Spectroscopy Measurements of Mn12-acetate.

    Science.gov (United States)

    Tu, Jiufeng; Suzuki, Yoko; Mertes, K. M.; Sarachik, M. P.; Agladze, N. I.; Sievers, A. J.; Rumberger, E. M.; Hendrickson, D. N.; Christou, G.

    2004-03-01

    The transmission spectra of both powder samples and assemblies of single crystals of Mn_12-acetate were measured in the far infrared region (2.0 - 20 cm-1) using a Fourier transform technique. The energies of the observed aborption lines agree with those obtained by Mukhin et al. [1] using the backwards wave oscillator technique. The temperature dependence of the aborption lines, as well as the presence of additional absorption lines, will be discussed. [1] A. A. Mukhin, V. D. Travkin, A. K. Zvesdin, A. Caneschi, D. Gatteschi and R. Sessoli, Physica B 284-288 (2000) 1221-1222

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

    Science.gov (United States)

    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...

  7. [Application of Fourier transform attenuated total reflection infrared spectroscopy in analysis of pulp and paper industry].

    Science.gov (United States)

    Zhang, Yong; Cao, Chun-yu; Feng, Wen-ying; Xu, Ming; Su, Zhen-hua; Liu, Xiao-meng; Lü, Wei-jun

    2011-03-01

    As one of the most powerful tools to investigate the compositions of raw materials and the property of pulp and paper, infrared spectroscopy has played an important role in pulp and paper industry. However, the traditional transmission infrared spectroscopy has not met the requirements of the producing processes because of its disadvantages of time consuming and sample destruction. New technique would be needed to be found. Fourier transform attenuated total reflection infrared spectroscopy (ATR-FTIR) is an advanced spectroscopic tool for nondestructive evaluation and could rapidly, accurately estimate the production properties of each process in pulp and paper industry. The present review describes the application of ATR-FTIR in analysis of pulp and paper industry. The analysis processes will include: pulping, papermaking, environmental protecting, special processing and paper identifying.

  8. Fourier Transform Infrared Spectroscopy (FTIR) as a Tool for the Identification and Differentiation of Pathogenic Bacteria.

    Science.gov (United States)

    Zarnowiec, Paulina; Lechowicz, Łukasz; Czerwonka, Grzegorz; Kaca, Wiesław

    2015-01-01

    Methods of human bacterial pathogen identification need to be fast, reliable, inexpensive, and time efficient. These requirements may be met by vibrational spectroscopic techniques. The method that is most often used for bacterial detection and identification is Fourier transform infrared spectroscopy (FTIR). It enables biochemical scans of whole bacterial cells or parts thereof at infrared frequencies (4,000-600 cm(-1)). The recorded spectra must be subsequently transformed in order to minimize data variability and to amplify the chemically-based spectral differences in order to facilitate spectra interpretation and analysis. In the next step, the transformed spectra are analyzed by data reduction tools, regression techniques, and classification methods. Chemometric analysis of FTIR spectra is a basic technique for discriminating between bacteria at the genus, species, and clonal levels. Examples of bacterial pathogen identification and methods of differentiation up to the clonal level, based on infrared spectroscopy, are presented below.

  9. [Application of Fourier transform infrared spectroscopy in identification of wine spoilage].

    Science.gov (United States)

    Zhao, Xian-De; Dong, Da-Ming; Zheng, Wen-Gang; Jiao, Lei-Zi; Lang, Yun

    2014-10-01

    In the present work, fresh and spoiled wine samples from three wines produced by different companies were studied u- sing Fourier transform infrared (FTIR) spectroscopy. We analyzed the physicochemical property change in the process of spoil- age, and then, gave out the attribution of some main FTIR absorption peaks. A novel determination method was explored based on the comparisons of some absorbance ratios at different wavebands although the absorbance ratios in this method were relative. Through the compare of the wine spectra before and after spoiled, the authors found that they were informative at the bands of 3,020~2,790, 1,760~1,620 and 1,550~800 cm(-1). In order to find the relation between these informative spectral bands and the wine deterioration and achieve the discriminant analysis, chemometrics methods were introduced. Principal compounds analysis (PCA) and soft independent modeling of class analogy (SIMCA) were used for classifying different-quality wines. And partial least squares discriminant analysis (PLS-DA) was applied to identify spoiled wines and good wines. Results showed that FTIR technique combined with chemometrics methods could effectively distinguish spoiled wines from fresh samples. The effect of classification at the wave band of 1 550-800 cm(-1) was the best. The recognition rate of SIMCA and PLSDA were respectively 94% and 100%. This study demonstrates that Fourier transform infrared spectroscopy is an effective tool for monitoring red wine's spoilage and provides theoretical support for developing early-warning equipments.

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

    Science.gov (United States)

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

    2009-09-01

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

  11. Fourier Transform Infrared Analysis of Urinary Calculi and Metabolic Studies in a Group of Sicilian Children.

    Science.gov (United States)

    D'Alessandro, Maria Michela; Gennaro, Giuseppe; Tralongo, Pietro; Maringhini, Silvio

    2017-05-01

    Prevalence of urinary calculi in children has been increasing in the past years. We performed an analysis of the chemical composition of stones formers of the pediatric population in our geographical area over the years 2005 to 2013. Fourier transform infrared spectroscopy was employed for the determination of the calculus composition of a group of Sicilian children, and metabolic studies were performed to formulate the correct diagnosis and establish therapy. The prevalence of stone formation was much higher for boys than for girls, with a sex ratio of 1.9:1. The single most frequent component was found to be calcium oxalate monohydrate, and calcium oxalates (pure or mixed calculi) were the overall most frequent components. Calcium phosphates ranked 2nd for frequency, most often in mixed calculi, while urates ranked 3rd. The metabolic disorder most often associated with pure calcium oxalate monohydrate calculi was hypocitraturia, while hyperoxaluria was predominantly associated with calcium oxalate dihydrate calculi. Mixed calculi had the highest prevalence in our pediatric population. Our data showed that Fourier transform infrared spectroscopy was a useful tool for the determination of the calculi composition.

  12. Chemical fingerprinting of Arabidopsis using Fourier transform infrared (FT-IR) spectroscopic approaches.

    Science.gov (United States)

    Gorzsás, András; Sundberg, Björn

    2014-01-01

    Fourier transform infrared (FT-IR) spectroscopy is a fast, sensitive, inexpensive, and nondestructive technique for chemical profiling of plant materials. In this chapter we discuss the instrumental setup, the basic principles of analysis, and the possibilities for and limitations of obtaining qualitative and semiquantitative information by FT-IR spectroscopy. We provide detailed protocols for four fully customizable techniques: (1) Diffuse Reflectance Infrared Fourier Transform Spectroscopy (DRIFTS): a sensitive and high-throughput technique for powders; (2) attenuated total reflectance (ATR) spectroscopy: a technique that requires no sample preparation and can be used for solid samples as well as for cell cultures; (3) microspectroscopy using a single element (SE) detector: a technique used for analyzing sections at low spatial resolution; and (4) microspectroscopy using a focal plane array (FPA) detector: a technique for rapid chemical profiling of plant sections at cellular resolution. Sample preparation, measurement, and data analysis steps are listed for each of the techniques to help the user collect the best quality spectra and prepare them for subsequent multivariate analysis.

  13. Monitoring wine aging with Fourier transform infrared spectroscopy (FT-IR

    Directory of Open Access Journals (Sweden)

    Basalekou Marianthi

    2015-01-01

    Full Text Available Oak wood has commonly been used in wine aging but recently other wood types such as Acacia and Chestnut, have attracted the interest of the researchers due to their possible positive contribution to wine quality. However, only the use of oak and chestnut woods is approved by the International Enological Codex of the International Organisation of Vine and Wine. In this study Fourier Transform (FT-mid-infrared spectroscopy combined with Discriminant Analysis was used to differentiate wines aged in barrels made from French oak, American oak, Acacia and Chestnut and in tanks with oak chips, over a period of 12 months. Two red (Mandilaria, Kotsifali and two white (Vilana, Dafni native Greek grape varieties where used to produce four wines. The Fourier Transform Infrared (FT-IR spectra of the samples were recorded on a Zinc Selenide (ZnSe window after incubation at 40 °C for 30 min. A complete differentiation of the samples according to both the type of wood used and the contact time was achieved based on their FT-IR spectra.

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

    Science.gov (United States)

    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.

  15. Color image cryptosystem using Fresnel diffraction and phase modulation in an expanded fractional Fourier transform domain

    Science.gov (United States)

    Chen, Hang; Liu, Zhengjun; Chen, Qi; Blondel, Walter; Varis, Pierre

    2018-05-01

    In this letter, what we believe is a new technique for optical color image encryption by using Fresnel diffraction and a phase modulation in an extended fractional Fourier transform domain is proposed. Different from the RGB component separation based method, the color image is converted into one component by improved Chirikov mapping. The encryption system is addressed with Fresnel diffraction and phase modulation. A pair of lenses is placed into the fractional Fourier transform system for the modulation of beam propagation. The structure parameters of the optical system and parameters in Chirikov mapping serve as extra keys. Some numerical simulations are given to test the validity of the proposed cryptosystem.

  16. Fourier-transform ghost imaging with pure far-field correlated thermal light

    International Nuclear Information System (INIS)

    Liu Honglin; Shen Xia; Han Shensheng; Zhu Daming

    2007-01-01

    Pure far-field correlated thermal light beams are created with phase grating, and Fourier-transform ghost imaging depending only on the far-field correlation is demonstrated experimentally. Theoretical analysis and the results of experimental investigation of this pure far-field correlated thermal light are presented. Applications which may be exploited with this imaging scheme are discussed

  17. Gastric cancer differentiation using Fourier transform near-infrared spectroscopy with unsupervised pattern recognition

    Science.gov (United States)

    Yi, Wei-song; Cui, Dian-sheng; Li, Zhi; Wu, Lan-lan; Shen, Ai-guo; Hu, Ji-ming

    2013-01-01

    The manuscript has investigated the application of near-infrared (NIR) spectroscopy for differentiation gastric cancer. The 90 spectra from cancerous and normal tissues were collected from a total of 30 surgical specimens using Fourier transform near-infrared spectroscopy (FT-NIR) equipped with a fiber-optic probe. Major spectral differences were observed in the CH-stretching second overtone (9000-7000 cm-1), CH-stretching first overtone (6000-5200 cm-1), and CH-stretching combination (4500-4000 cm-1) regions. By use of unsupervised pattern recognition, such as principal component analysis (PCA) and cluster analysis (CA), all spectra were classified into cancerous and normal tissue groups with accuracy up to 81.1%. The sensitivity and specificity was 100% and 68.2%, respectively. These present results indicate that CH-stretching first, combination band and second overtone regions can serve as diagnostic markers for gastric cancer.

  18. A prototype stationary Fourier transform spectrometer for near-infrared absorption spectroscopy.

    Science.gov (United States)

    Li, Jinyang; Lu, Dan-feng; Qi, Zhi-mei

    2015-09-01

    A prototype stationary Fourier transform spectrometer (FTS) was constructed with a fiber-coupled lithium niobate (LiNbO3) waveguide Mach-Zehnder interferometer (MZI) for the purpose of rapid on-site spectroscopy of biological and chemical measurands. The MZI contains push-pull electrodes for electro-optic modulation, and its interferogram as a plot of intensity against voltage was obtained by scanning the modulating voltage from -60 to +60 V in 50 ms. The power spectrum of input signal was retrieved by Fourier transform processing of the interferogram combined with the wavelength dispersion of half-wave voltage determined for the MZI used. The prototype FTS operates in the single-mode wavelength range from 1200 to 1700 nm and allows for reproducible spectroscopy. A linear concentration dependence of the absorbance at λmax = 1451 nm for water in ethanolic solution was obtained using the prototype FTS. The near-infrared spectroscopy of solid samples was also implemented, and the different spectra obtained with different materials evidenced the chemical recognition capability of the prototype FTS. To make this prototype FTS practically applicable, work on improving its spectral resolution by increasing the maximum optical path length difference is in progress.

  19. Progress in static fourier transform infrared spectroscopy: assessment of sifti preliminary performances

    Science.gov (United States)

    Hébert, Philippe; Pierangelo, Clémence; Rosak, Alain; Cansot, Elodie; Bernard, Frédéric; Camy-Peyret, Claude

    2017-11-01

    The concept of static Fourier transform interferometry at thermal infrared wavelengths is well suited in the case of narrow spectral bands that are looked at for targeted molecular species as CO and O3 for pollution and air quality monitoring, or H20 and CO2 for weather forecast, down to the troposphere. It permits a high spectral resolution and a very good radiometric performance, with the advantage of a static interferometer, including no moving part. Along with other molecules sounded in the UV-VIS domain, as for instance in the TRAQ mission, SIFTI will provide scientists with a complete set for pollution measurements and air quality survey. Our paper presents the principles of static Fourier transform spectrometry, the work led on the instrument performance model and our study of the SIFTI instrument. We describe the instrument, its main dimensions and characteristics, and its architecture and major subsystems. We eventually make a preliminary survey of the SIFTI performance budget items. As a conclusion, we introduce the future CNES phase A study of this instrument that is started in 2006

  20. Scaled nonuniform Fourier transform for image reconstruction in swept source optical coherence tomography

    Science.gov (United States)

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

    2018-02-01

    Swept Source optical coherence tomography (SS-OCT) is an important imaging modality for both medical and industrial diagnostic applications. A cross-sectional SS-OCT image is obtained by applying an inverse discrete Fourier transform (DFT) to axial interferograms measured in the frequency domain (k-space). This inverse DFT is typically implemented as a fast Fourier transform (FFT) that requires the data samples to be equidistant in k-space. As the frequency of light produced by a typical wavelength-swept laser is nonlinear in time, the recorded interferogram samples will not be uniformly spaced in k-space. Many image reconstruction methods have been proposed to overcome this problem. Most such methods rely on oversampling the measured interferogram then use either hardware, e.g., Mach-Zhender interferometer as a frequency clock module, or software, e.g., interpolation in k-space, to obtain equally spaced samples that are suitable for the FFT. To overcome the problem of nonuniform sampling in k-space without any need for interferogram oversampling, an earlier method demonstrated the use of the nonuniform discrete Fourier transform (NDFT) for image reconstruction in SS-OCT. In this paper, we present a more accurate method for SS-OCT image reconstruction from nonuniform samples in k-space using a scaled nonuniform Fourier transform. The result is demonstrated using SS-OCT images of Axolotl salamander eggs.

  1. Two-dimensional 220 MHz Fourier transform EPR imaging

    International Nuclear Information System (INIS)

    Placidi, Giuseppe; Brivati, John A.; Alecci, Marcello; Testa, Luca; Sotgiu, Antonello

    1998-01-01

    In the last decade radiofrequency continuous-wave EPR spectrometers have been developed to detect and localize free radicals in vivo. Only recently, pulsed radiofrequency EPR spectrometers have been described for imaging applications with small samples. In the present work, we show the first two-dimensional image obtained at 220 MHz on a large phantom (40 ml) that simulates typical conditions of in vivo EPR imaging. This pulsed EPR apparatus has the potential to make the time required for three-dimensional imaging compatible with the biological half-life of normally used paramagnetic probes. (author)

  2. Imaging properties of the mesooptical Fourier transform microscope for nuclear research emulsion

    International Nuclear Information System (INIS)

    Bencze, Gy.L.; Soroko, L.M.

    1987-01-01

    The optical signal transformation in the Mesooptical Fourier Transform Microscope (MFTM) for nuclear emulsion is treated in terms of Fourier Optics. A continuous conversion of the traditional optical microscope into the MFTM is followed. The images of dot-like and straight line objects given by the MFTM are discussed

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

    Science.gov (United States)

    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.

  4. Kinetic study of olive oil degradation monitored by fourier transform infrared spectrometry. Application to oil characterization.

    Science.gov (United States)

    Román Falcó, Iván P; Grané Teruel, Nuria; Prats Moya, Soledad; Martín Carratalá, M Luisa

    2012-11-28

    A new approach for the determination of kinetic parameters of the cis/trans isomerization during the oxidation process of 24 virgin olive oils belonging to 8 different varieties is presented. The accelerated process of degradation at 100 °C was monitored by recording the Fourier transform infrared spectra. The parameters obtained confirm pseudo-first-order kinetics for the degradation of cis and the appearance of trans double bonds. The kinetic approach affords the induction time and the rate coefficient; these parameters are related to the fatty acid profile of the fresh olive oils. The data obtained were used to compare the oil stability of the samples with the help of multivariate statistical techniques. Fatty acid allowed a classification of the samples in five groups, one of them constituted by the cultivars with higher stability. Meanwhile, the kinetic parameters showed greater ability for the characterization of olive oils, allowing the classification in seven groups.

  5. Time-resolved FTIR [Fourier transform infrared] emission studies of laser photofragmentation and chain reactions

    International Nuclear Information System (INIS)

    Leone, S.R.

    1990-01-01

    Recent progress is described resulting from the past three years of DOE support for studies of combustion-related photofragmentation dynamics, energy transfer, and reaction processes using a time-resolved Fourier transform infrared (FTIR) emission technique. The FTIR is coupled to a high repetition rate excimer laser which produces radicals by photolysis to obtain novel, high resolution measurements on vibrational and rotational state dynamics. The results are important for the study of numerous radical species relevant to combustion processes. The method has been applied to the detailed study of photofragmentation dynamics in systems such as acetylene, which produces C 2 H; chlorofluoroethylene to study the HF product channel; vinyl chloride and dichloroethylene, which produce HCl; acetone, which produces CO and CH 3 ; and ammonia, which produces NH 2 . In addition, we have recently demonstrated use of the FTIR technique for preliminary studies of energy transfer events under near single collision conditions, radical-radical reactions, and laser-initiated chain reaction processes

  6. Hyperfine structure of ScI by infrared Fourier transform spectroscopy

    International Nuclear Information System (INIS)

    Aboussaid, A.; Carleer, M.; Hurtmans, D.; Biemont, E.; Godefroid, M.R.

    1996-01-01

    The spectrum of scandium was recorded in the infrared region using a high resolution Fourier transform spectrometer and a hollow-cathode discharge. Hyperfine structures of the lines connecting the 3d 2 4s and 3d4s4p level systems of Sc 45 I were observed between 4000 and 5000 cm -1 . The structures were not completely resolved but the individual line contributions to the complex profiles were simulated using the 3d 2 4s 4 F J hyperfine structure constants previously measured with a high precision by laser techniques. We investigate the possibility of extracting the hyperfine constants of the 3d4s4p levels from a least-squares fit of the line profiles, assuming a Doppler lineshape and theoretical relative intensities. New results are presented for 12 levels. (orig.)

  7. Discrimination of handlebar grip samples by fourier transform infrared microspectroscopy analysis and statistics

    Directory of Open Access Journals (Sweden)

    Zeyu Lin

    2017-01-01

    Full Text Available In this paper, the authors presented a study on the discrimination of handlebar grip samples, to provide effective forensic science service for hit and run traffic cases. 50 bicycle handlebar grip samples, 49 electric bike handlebar grip samples, and 96 motorcycle handlebar grip samples have been randomly collected by the local police in Beijing (China. Fourier transform infrared microspectroscopy (FTIR was utilized as analytical technology. Then, target absorption selection, data pretreatment, and discrimination of linked samples and unlinked samples were chosen as three steps to improve the discrimination of FTIR spectrums collected from different handlebar grip samples. Principal component analysis and receiver operating characteristic curve were utilized to evaluate different data selection methods and different data pretreatment methods, respectively. It is possible to explore the evidential value of handlebar grip residue evidence through instrumental analysis and statistical treatments. It will provide a universal discrimination method for other forensic science samples as well.

  8. Fourier transform infrared spectroscopic study of gamma irradiated SiO2 nanoparticles

    Science.gov (United States)

    Huseynov, Elchin; Garibov, Adil; Mehdiyeva, Ravan; Huseynova, Efsane

    2018-03-01

    In the present work, nano SiO2 particles are investigated before and after gamma irradiation (25, 50, 75, 100 and 200 kGy) using Fourier transform infrared (FTIR) spectroscopy method for the wavenumber between 400-4000 cm-1. It is found that as a result of spectroscopic analysis, five new peaks have appeared after gamma radiation. Two of new obtained peaks (which are located at 687 cm-1 and 2357 cm-1 of wavenumber) were formed as a result of gamma radiation interaction with Si-O bonds. Another three new peaks (peaks appropriate to 941, 2052 and 2357 cm-1 values of wavenumber) appear as a result of interaction of water with nano SiO2 particles after gamma irradiation. It has been defined as asymmetrical bending vibration, symmetrical bending vibration, symmetrical stretching vibration and asymmetrical stretching vibration of Si-O bonds appropriate to peaks.

  9. Differentiation and detection of microorganisms using Fourier transform infrared photoacoustic spectroscopy

    Science.gov (United States)

    Irudayaraj, Joseph; Yang, Hong; Sakhamuri, Sivakesava

    2002-03-01

    Fourier transform infrared photoacoustic spectroscopy (FTIR-PAS) was used to differentiate and identify microorganisms on a food (apple) surface. Microorganisms considered include bacteria (Lactobacillus casei, Bacillus cereus, and Escherichia coli), yeast (Saccharomyces cerevisiae), and fungi (Aspergillus niger and Fusarium verticilliodes). Discriminant analysis was used to differentiate apples contaminated with the different microorganisms from uncontaminated apple. Mahalanobis distances were calculated to quantify the differences. The higher the value of the Mahalanobis distance metric between different microorganisms, the greater is their difference. Additionally, pathogenic (O157:H7) E. coli was successfully differentiated from non-pathogenic strains. Results demonstrate that FTIR-PAS spectroscopy has the potential to become a non-destructive analysis tool in food safety related research.

  10. Fourier transform infrared emission spectra of MnH and MnD

    Science.gov (United States)

    Gordon, Iouli E.; Appadoo, Dominique R. T.; Shayesteh, Alireza; Walker, Kaley A.; Bernath, Peter F.

    2005-01-01

    Fourier transform infrared emission spectra of MnH and MnD were observed in the ground X7Σ + electronic state. The vibration-rotation bands from v = 1 → 0 to v = 3 → 2 for MnH and from v = 1 → 0 to v = 4 → 3 for MnD were recorded at an instrumental resolution of 0.0085 cm -1. Spectroscopic constants were determined for each vibrational level and equilibrium constants were found from a Dunham-type fit. The equilibrium vibrational constant ( ωe) for MnH was found to be 1546.84518(65) cm -1, the equilibrium rotational constant ( Be) is 5.6856789(103) cm -1 and the eqilibrium bond distance ( re) was determined to be 1.7308601(47) Å.

  11. Identification Content of the Red Dragon Fruit Extract Skin Using Fourier Transform Infrared (FTIR and Phytochemistry

    Directory of Open Access Journals (Sweden)

    Muhammad Ilham Noor

    2016-08-01

    Full Text Available Corrosion is a decline in the quality of the metal due to electrochemical reaction between the metal by a corrosive medium. One effort to reduce the rate of corrosion is by adding inhibitors. Organic inhibitors that can be used include antioxidants and vitamin C. To determine both the content of the test method is used Fourier Transform Infrared (FTIR and phytochemicals. FTIR is a method to measure used to determine the group and the type of bonding of a compound based on the value of the wave number of a plant. Phytochemical screening is a test of the qualitative secondary metabolites biologically active compounds found in plants. In this study used a sample of red dragon fruit. The results of the analysis provide information regarding the types of biologically active compounds and levels of the active compound contained in the red dragon fruit.

  12. Detection of Gastric Cancer with Fourier Transform Infrared Spectroscopy and Support Vector Machine Classification

    Directory of Open Access Journals (Sweden)

    Qingbo Li

    2013-01-01

    Full Text Available Early diagnosis and early medical treatments are the keys to save the patients' lives and improve the living quality. Fourier transform infrared (FT-IR spectroscopy can distinguish malignant from normal tissues at the molecular level. In this paper, programs were made with pattern recognition method to classify unknown samples. Spectral data were pretreated by using smoothing and standard normal variate (SNV methods. Leave-one-out cross validation was used to evaluate the discrimination result of support vector machine (SVM method. A total of 54 gastric tissue samples were employed in this study, including 24 cases of normal tissue samples and 30 cases of cancerous tissue samples. The discrimination results of SVM method showed the sensitivity with 100%, specificity with 83.3%, and total discrimination accuracy with 92.2%.

  13. Geographical traceability of Marsdenia tenacissima by Fourier transform infrared spectroscopy and chemometrics

    Science.gov (United States)

    Li, Chao; Yang, Sheng-Chao; Guo, Qiao-Sheng; Zheng, Kai-Yan; Wang, Ping-Li; Meng, Zhen-Gui

    2016-01-01

    A combination of Fourier transform infrared spectroscopy with chemometrics tools provided an approach for studying Marsdenia tenacissima according to its geographical origin. A total of 128 M. tenacissima samples from four provinces in China were analyzed with FTIR spectroscopy. Six pattern recognition methods were used to construct the discrimination models: support vector machine-genetic algorithms, support vector machine-particle swarm optimization, K-nearest neighbors, radial basis function neural network, random forest and support vector machine-grid search. Experimental results showed that K-nearest neighbors was superior to other mathematical algorithms after data were preprocessed with wavelet de-noising, with a discrimination rate of 100% in both the training and prediction sets. This study demonstrated that FTIR spectroscopy coupled with K-nearest neighbors could be successfully applied to determine the geographical origins of M. tenacissima samples, thereby providing reliable authentication in a rapid, cheap and noninvasive way.

  14. Study on Europium-Doped Hydroxyapatite Nanoparticles by Fourier Transform Infrared Spectroscopy and Their Antimicrobial Properties

    Directory of Open Access Journals (Sweden)

    Simona-Liliana Iconaru

    2013-01-01

    Full Text Available Fourier transform infrared spectroscopy (FT-IR analysis was conducted on europium-doped hydroxyapatite, Ca10-xEux(PO46(OH2 nanocrystalline powders (Eu:HAp with 0≤xEu≤0.2. Antimicrobial studies were also performed for the first time on Eu:HAp. The antimicrobial properties of Eu:HAp nanoparticles with 0≤xEu≤0.2 on Gram-negative (E. coli ATCC 25922, Pseudomonas aeruginosa 1397 and Gram-positive (Staphylococcus aureus 0364, Enterococcus faecalis ATCC 29212 bacteria systems and a species of fungus (Candida albicans ATCC 10231 were reported. Our study demonstrates that the antimicrobial activity of Eu:HAp nanoparticles is dependent on the europium concentration.

  15. An in situ Fourier transform infrared spectroelectrochemical study on ethanol electrooxidation on Pd in alkaline solution

    Energy Technology Data Exchange (ETDEWEB)

    Fang, Xiang; Wang, Lianqin; Shen, Pei Kang [The State Key Laboratory of Optoelectronic Materials and Technologies, School of Physics and Engineering, Sun Yat-Sen University, Guangzhou 510275 (China); Cui, Guofeng [School of Chemistry and Chemical Engineering, Sun Yat-Sen University, Guangzhou 510275 (China); Bianchini, Claudio [Istituto di Chimica dei Composti Organometallici (ICCOM-CNR), via Madonna del Piano 10, 50019 Sesto Fiorentino (Italy)

    2010-03-01

    The mechanism of ethanol electrooxidation on a palladium electrode in alkaline solution (from 0.01 to 5 M NaOH) has been investigated by cyclic voltammetry and in situ Fourier transform infrared spectroelectrochemistry. The electrode performance has been found to depend on the pH of the fuel solution. The best performance was observed in 1 M NaOH solution (pH = 14), while the electrochemical activity decreased by either increasing or decreasing the NaOH concentration. In situ FTIR spectroscopic measurements showed the main oxidation product to be sodium acetate at NaOH concentrations higher than 0.5 M. The C-C bond cleavage of ethanol, put in evidence by the formation of CO{sub 2}, occurred at pH values {<=}13. In these conditions, however, the catalytic activity for ethanol oxidation was quite low. No CO formation was detected along the oxidation of ethanol by FTIR spectroscopy. (author)

  16. Determination of on-stream destruction removal efficiency using Fourier transform infrared spectroscopy

    International Nuclear Information System (INIS)

    Demirgian, J.C.; Mao, Zhouxiong; MacIntosh, M.; Wentz, C.A.

    1991-01-01

    The requirements of the Clean Air Act Amendments of 1990 and public concern about the safety of air emissions from incineration necessitate the development of continuous emission monitors for on-line determination of both the destruction removal efficiency (DRE) of hazardous wastes and the emission products of incomplete combustion (PICs). This paper describes a Fourier transform infrared (FTIR) spectroscopic method that has been developed for this purpose. A laboratory-scale hazardous waste incinerator was coupled directly, via heated sampling lines, to a heated long-path cell (LPC) combined with an FTIR analyzer. The DRE and PIC emission levels were measured, on-line, for toluene incineration. Thus, this new LPC/FTIR system has been demonstrated as an effective continuous emissions monitor. Further experimental work with other hydrocarbons is now underway using the FTIR system. 8 figs., 4 tabs

  17. Quantification of DNA in simple eukaryotic cells using Fourier transform infrared spectroscopy.

    Science.gov (United States)

    Whelan, Donna R; Bambery, Keith R; Puskar, Ljiljana; McNaughton, Don; Wood, Bayden R

    2013-10-01

    A technique capable of detecting and monitoring nucleic acid concentration offers potential in diagnosing cancer and further developing an understanding of the biochemistry of disease. The application of Fourier transform infrared (FTIR) spectroscopy has previously been hindered by the supposed non-Beer-Lambert absorption behavior of DNA in intact cells making elucidation of the DNA bands difficult. We use known composition DNA/hemoglobin standards to successfully estimate the DNA content in avian erythrocyte nuclei (44.2%) and intact erythrocytes (12.8%). Furthermore we demonstrate that the absorption of cellular DNA does follow the Beer-Lambert Law and highlights the role of conformation and hydration in FTIR spectroscopy of biological samples. Copyright © 2013 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  18. Quality Control of Valerianae Radix by Attenuated Total Reflection Fourier Transform Infrared (ATR-FTIR) Spectroscopy.

    Science.gov (United States)

    Nikzad-Langerodi, Ramin; Arth, Katharina; Klatte-Asselmeyer, Valerie; Bressler, Sabine; Saukel, Johannes; Reznicek, Gottfried; Dobeš, Christoph

    2018-04-01

    (Acetoxy-)valerenic acid and total essential oil content are important quality attributes of pharmacy grade valerian root (Valerianae radix). Traditional analysis of these quantities is time-consuming and necessitates (harmful) solvents. Here we investigated an application of attenuated total reflection Fourier transform infrared spectroscopy for extractionless analysis of these quality attributes on a representative sample comprising 260 wild-crafted individuals covering the Central European taxonomic diversity of the Valeriana officinalis L. s. l. species aggregate with its three major ploidy cytotypes (i.e., di-, tetra- and octoploid). Calibration models were built by orthogonal partial least squares regression for quantitative analysis of (acetoxy-)valerenic acid and total essential oil content. For the latter, we propose a simplistic protocol involving apolar extraction followed by gas chromatography as a reference method for multivariate calibration in order to handle the analysis of samples taken from individual plants. We found good predictive ability of chemometric models for quantification of valerenic acid, acetoxyvalerenic acid, total sesquiterpenoid acid, and essential oil content with a root mean squared error of cross-validation of 0.064, 0.043, and 0.09 and root mean squared error of prediction of 0.066, 0.057, and 0.09 (% content), respectively. Orthogonal partial least squares discriminant analysis revealed good discriminability between the most productive phenotype (i.e., the octoploid cytotype) in terms of sesquiterpenoid acids, and the less productive ones (i.e., di- and tetraploid). All in all, our results demonstrate the application of attenuated total reflection Fourier transform infrared spectroscopy for rapid, extractionless estimation of the most important quality attributes of valerian root and minimally invasive identification of the most productive phenotype in terms of sesquiterpenoid acids. Georg Thieme Verlag KG Stuttgart · New

  19. Fast data reconstructed method of Fourier transform imaging spectrometer based on multi-core CPU

    Science.gov (United States)

    Yu, Chunchao; Du, Debiao; Xia, Zongze; Song, Li; Zheng, Weijian; Yan, Min; Lei, Zhenggang

    2017-10-01

    Imaging spectrometer can gain two-dimensional space image and one-dimensional spectrum at the same time, which shows high utility in color and spectral measurements, the true color image synthesis, military reconnaissance and so on. In order to realize the fast reconstructed processing of the Fourier transform imaging spectrometer data, the paper designed the optimization reconstructed algorithm with OpenMP parallel calculating technology, which was further used for the optimization process for the HyperSpectral Imager of `HJ-1' Chinese satellite. The results show that the method based on multi-core parallel computing technology can control the multi-core CPU hardware resources competently and significantly enhance the calculation of the spectrum reconstruction processing efficiency. If the technology is applied to more cores workstation in parallel computing, it will be possible to complete Fourier transform imaging spectrometer real-time data processing with a single computer.

  20. The applicability of Fourier transform infrared (FT-IR) spectroscopy in waste management

    International Nuclear Information System (INIS)

    Smidt, Ena; Meissl, Katharina

    2007-01-01

    State and stability or reactivity of waste materials are important properties that must be determined to obtain information about the future behavior and the emission potential of the materials. Different chemical and biological parameters are used to describe the stage of organic matter in waste materials. Fourier transform infrared spectroscopy provides information about the chemistry of waste materials in a general way. Several indicator bands that are referred to functional groups represent components or metabolic products. Their presence and intensity or their absence shed light on the phase of degradation or stabilization. The rapid assessment of the stage of organic matter decomposition is a very important field of application. Therefore, infrared spectroscopy is an appropriate tool for process and quality control, for the assessment of abandoned landfills and for checking of the successful landfill remediation. A wide range of applications are presented in this study for different waste materials. Progressing stages of a typical yard/kitchen waste composting process are shown. The fate of anaerobically 'stabilized' leftovers in a subsequent liquid aerobic process is revealed by spectroscopic characteristics. A compost that underwent the biological stabilization process is distinguished from a 'substrate' that comprises immature biogenic waste mixed with mineral compounds. Infrared spectra of freeze-dried leachate from untreated and aerated landfill material prove the effect of the aerobic treatment during 10 weeks in laboratory-scale experiments

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

    Science.gov (United States)

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

    2009-08-01

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

  2. Advances in hyperspectral remote sensing I: The visible Fourier transform hyperspectral imager

    Directory of Open Access Journals (Sweden)

    J. Bruce Rafert

    2015-05-01

    Full Text Available We discuss early hyperspectral research and development activities during the 1990s that led to the deployment of aircraft and satellite payloads whose heritage was based on the use of visible, spatially modulated, imaging Fourier transform spectrometers, beginning with early experiments at the Florida Institute of Technology, through successful launch and deployment of the Visible Fourier Transform Hyperspectral Imager on MightySat II.1 on 19 July 2000. In addition to a brief chronological overview, we also discuss several of the most interesting optical engineering challenges that were addressed over this timeframe, present some as-yet un-exploited features of field-widened (slit-less SMIFTS instruments, and present some images from ground-based, aircraft-based and satellite-based instruments that helped provide the impetus for the proliferation and development of entire new families of instruments and countless new applications for hyperspectral imaging.

  3. Level 0 to 1 processing of the imaging Fourier transform spectrometer GLORIA: generation of radiometrically and spectrally calibrated spectra

    Directory of Open Access Journals (Sweden)

    A. Kleinert

    2014-12-01

    Full Text Available The Gimballed Limb Observer for Radiance Imaging of the Atmosphere (GLORIA is an imaging Fourier transform spectrometer that is capable of operating on various high-altitude research aircraft. It measures the atmospheric emission in the thermal infrared spectral region in limb and nadir geometry. GLORIA consists of a classical Michelson interferometer combined with an infrared camera. The infrared detector has a usable area of 128 × 128 pixels, measuring up to 16 384 interferograms simultaneously. Imaging Fourier transform spectrometers impose a number of challenges with respect to instrument calibration and algorithm development. The optical setup with extremely high optical throughput requires the development of new methods and algorithms for spectral and radiometric calibration. Due to the vast amount of data there is a high demand for scientifically intelligent optimisation of the data processing. This paper outlines the characterisation and processing steps required for the generation of radiometrically and spectrally calibrated spectra. Methods for performance optimisation of the processing algorithm are presented. The performance of the data processing and the quality of the calibrated spectra are demonstrated for measurements collected during the first deployments of GLORIA on aircraft.

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

    Science.gov (United States)

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

  5. Heat stability of proteins in desiccation tolerant cattail pollen (Typha latifolia): A Fourier transform infrared spectroscopic study.

    NARCIS (Netherlands)

    Wolkers, W.F.; Hoekstra, F.A.

    1997-01-01

    Secondary structure and aggregation behavior of proteins, as determined in situ in Typha latifolia pollen, were studied by means of Fourier transform infrared microspectroscopy. The amide-I band, arising from the peptide backbone, was recorded over a temperature range from -50 to 120°C at different

  6. Secondary cell wall development in cotton fibers as examined with attenuated total reflection Fourier transform infrared spectroscopy

    Science.gov (United States)

    Cotton fibers harvested at 18, 20, 24, 28, 32, 36 and 40 days after flowering were examined using attenuated total reflection Fourier transform-infrared (ATR FT-IR) spectroscopy. The selected harvesting points coincide with secondary cell wall (SCW) development in the fibers. Progressive but moderat...

  7. Characterization of Campylobacter jejuni applying flaA short variable region sequencing, multilocus sequencing and Fourier transform infrared spectroscopy

    DEFF Research Database (Denmark)

    Josefsen, Mathilde Hartmann; Bonnichsen, Lise; Larsson, Jonas

    flaA short variable region sequencing and phenetic Fourier transform infrared (FTIR) spectroscopy was applied on a collection of 102 Campylobacter jejuni isolated from continuous sampling of organic, free range geese and chickens. FTIR has been shown to serve as a valuable tool in typing...

  8. Characterisation of Authentic Lignin Biorefinery Samples by Fourier Transform Infrared Spectroscopy and Determination of the Chemical Formula for Lignin

    DEFF Research Database (Denmark)

    Le, Duy Michael; Damgaard Nielsen, Anders; Sørensen, Hanne

    2017-01-01

    samples in situ with no prior purification and minimal sample preparation. Lignin chemical formulas and lignin Fourier transform infrared (FTIR) spectra were extracted from mixed spectra by filtering out signals from residual carbohydrates and minerals. From estimations of C, H and O and adjustment...

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

    Science.gov (United States)

    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....

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

    Science.gov (United States)

    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...

  11. Determination of Carbon Dioxide, Carbon Monoxide, and Methane Concentrations in Cigarette Smoke by Fourier Transform Infrared Spectroscopy

    Science.gov (United States)

    Tan, T. L.; Lebron, G. B.

    2012-01-01

    The integrated absorbance areas of vibrational bands of CO[subscript 2], CO, and CH[subscript 4] gases in cigarette smoke were measured from Fourier transform infrared (FTIR) spectra to derive the partial pressures of these gases at different smoke times. The quantity of the three gas-phase components of cigarette smoke at different smoke times…

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

    Science.gov (United States)

    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...

  13. Characterization of southern yellow pine bark layers by Attenuated Total Reflectance (ATR) and Fourier Transform Infrared (FT-IR) Spectroscopy

    Science.gov (United States)

    Thomas L. Eberhardt

    2009-01-01

    The outer bark (rhytidome) of the southern yellow pines is a complex structure comprised of alternating layers of obliterated phloem and periderm tissues, with the latter comprised of three layers, those being phellem, phellogen, and phelloderm. An attenuated total reflectance (ATR) sampling accessory, coupled with a Fourier transform infrared (FTIR) spectrometer,...

  14. GROUPING OF ORAL STREPTOCOCCAL SPECIES USING FOURIER-TRANSFORM INFRARED-SPECTROSCOPY IN COMPARISON WITH CLASSICAL MICROBIOLOGICAL IDENTIFICATION

    NARCIS (Netherlands)

    VANDERMEI, HC; NAUMANN, D; BUSSCHER, HJ

    1993-01-01

    The grouping and identification made by Fourier-transform infrared spectroscopy (FT-IR) of 40 oral streptococcal strains was compared with their known taxonomic positions. Grouping was obtained by cluster analysis on the spectral distances between the first derivative spectra of the strains. Spectra

  15. Comparative study of wine tannin classification using Fourier transform mid-infrared spectrometry and sensory analysis.

    Science.gov (United States)

    Fernández, Katherina; Labarca, Ximena; Bordeu, Edmundo; Guesalaga, Andrés; Agosin, Eduardo

    2007-11-01

    Wine tannins are fundamental to the determination of wine quality. However, the chemical and sensorial analysis of these compounds is not straightforward and a simple and rapid technique is necessary. We analyzed the mid-infrared spectra of white, red, and model wines spiked with known amounts of skin or seed tannins, collected using Fourier transform mid-infrared (FT-MIR) transmission spectroscopy (400-4000 cm(-1)). The spectral data were classified according to their tannin source, skin or seed, and tannin concentration by means of discriminant analysis (DA) and soft independent modeling of class analogy (SIMCA) to obtain a probabilistic classification. Wines were also classified sensorially by a trained panel and compared with FT-MIR. SIMCA models gave the most accurate classification (over 97%) and prediction (over 60%) among the wine samples. The prediction was increased (over 73%) using the leave-one-out cross-validation technique. Sensory classification of the wines was less accurate than that obtained with FT-MIR and SIMCA. Overall, these results show the potential of FT-MIR spectroscopy, in combination with adequate statistical tools, to discriminate wines with different tannin levels.

  16. Surface plasmon excitation using a Fourier-transform infrared spectrometer: Live cell and bacteria sensing

    Science.gov (United States)

    Lirtsman, Vladislav; Golosovsky, Michael; Davidov, Dan

    2017-10-01

    We report an accessory for beam collimation to be used as a plug-in for a conventional Fourier-Transform Infrared (FTIR) spectrometer. The beam collimator makes use of the built-in focusing mirror of the FTIR spectrometer which focuses the infrared beam onto the pinhole mounted in the place usually reserved for the sample. The beam is collimated by a small parabolic mirror and is redirected to the sample by a pair of plane mirrors. The reflected beam is conveyed by another pair of plane mirrors to the built-in detector of the FTIR spectrometer. This accessory is most useful for the surface plasmon excitation. We demonstrate how it can be employed for label-free and real-time sensing of dynamic processes in bacterial and live cell layers. In particular, by measuring the intensity of the CO2 absorption peak one can assess the cell layer metabolism, while by measuring the position of the surface plasmon resonance one assesses the cell layer morphology.

  17. [A study of Boletus bicolor from different areas using Fourier transform infrared spectrometry].

    Science.gov (United States)

    Zhou, Zai-Jin; Liu, Gang; Ren, Xian-Pei

    2010-04-01

    It is hard to differentiate the same species of wild growing mushrooms from different areas by macromorphological features. In this paper, Fourier transform infrared (FTIR) spectroscopy combined with principal component analysis was used to identify 58 samples of boletus bicolor from five different areas. Based on the fingerprint infrared spectrum of boletus bicolor samples, principal component analysis was conducted on 58 boletus bicolor spectra in the range of 1 350-750 cm(-1) using the statistical software SPSS 13.0. According to the result, the accumulated contributing ratio of the first three principal components accounts for 88.87%. They included almost all the information of samples. The two-dimensional projection plot using first and second principal component is a satisfactory clustering effect for the classification and discrimination of boletus bicolor. All boletus bicolor samples were divided into five groups with a classification accuracy of 98.3%. The study demonstrated that wild growing boletus bicolor at species level from different areas can be identified by FTIR spectra combined with principal components analysis.

  18. Analysis of serum cortisol levels by Fourier Transform Infrared Spectroscopy for diagnosis of stress in athletes

    Directory of Open Access Journals (Sweden)

    Lia Campos Lemes

    Full Text Available Abstract Introduction Fourier-transform infrared (FT-IR spectroscopy is a technique with great potential for body fluids analyses. The aim of this study was to examine the impact of session training on cortisol concentrations in rugby players by means of infrared analysis of serum. Methods Blood collections were performed pre, post and 24 hours after of rugby training sessions. Serum cortisol was analyzed by FT-IR spectroscopy and chemiluminescent immunoassay. Results There was a significant difference between the integrated area, in the region of 1180-1102 cm-1, of the spectra for pre, post and post 24 h serums. The cortisol concentration obtained by chemiluminescent immunoassay showed no significant difference between pre, post and post 24 h. Positive correlations were obtained between the techniques (r = 0.75, post (r = 0.83 and post 24 h (r = 0.73. Conclusion The results showed no increase in cortisol levels of the players after the training sessions, as well as positive correlations indicating that FT-IR spectroscopy have produced promising results for the analysis of serum for diagnosis of stress.

  19. Advances in data processing for open-path Fourier transform infrared spectrometry of greenhouse gases.

    Science.gov (United States)

    Shao, Limin; Griffiths, Peter R; Leytem, April B

    2010-10-01

    The automated quantification of three greenhouse gases, ammonia, methane, and nitrous oxide, in the vicinity of a large dairy farm by open-path Fourier transform infrared (OP/FT-IR) spectrometry at intervals of 5 min is demonstrated. Spectral pretreatment, including the automated detection and correction of the effect of interrupting the infrared beam, is by a moving object, and the automated correction for the nonlinear detector response is applied to the measured interferograms. Two ways of obtaining quantitative data from OP/FT-IR data are described. The first, which is installed in a recently acquired commercial OP/FT-IR spectrometer, is based on classical least-squares (CLS) regression, and the second is based on partial least-squares (PLS) regression. It is shown that CLS regression only gives accurate results if the absorption features of the analytes are located in very short spectral intervals where lines due to atmospheric water vapor are absent or very weak; of the three analytes examined, only ammonia fell into this category. On the other hand, PLS regression works allowed what appeared to be accurate results to be obtained for all three analytes.

  20. Fourier Transform Infrared spectrum of the OCD bending mode in methanol-D1

    Science.gov (United States)

    Mukhopadhyay, Indra

    2016-03-01

    The infrared (IR) spectra corresponding to OCD bending vibration of asymmetrically deuterated methanol species CH2DOH have been recorded with a Fourier Transform Spectrometer. The spectrum shows a typical structure of a parallel a-type band. This is expected because the bending vibration mainly executed parallel to the symmetry axis The Q-branch lines are grouped closely around 896 cm-1 and the P- and R-Branches show complex structure. Nonetheless it was possible to assign a-type P- and R-branch lines up to K value of 8 and J value up to about 20 in most cases. The Q-branch lines for higher K values can be followed to about J = 15, the presence of which confirmed the assignments. The observations suggest that in the OCD bend some energy levels are highly interacted by highly excited torsional state from the ground torsional state. A full catalogue is presented along with the effective molecular parameters. An intensity anomaly was also observed in the transitions. So far it has been possible to assign only transitions between e0 ← e0 states. Plausible explanations of intensity anomaly are presented. Lastly, a number of optically pumped far infrared (FIR) laser lines have been assigned either to exact or tentative quantum states. These assignments should prove valuable for production of new FIR laser lines.

  1. Attenuated total internal reflection Fourier transform infrared spectroscopy: a quantitative approach for kidney stone analysis.

    Science.gov (United States)

    Gulley-Stahl, Heather J; Haas, Jennifer A; Schmidt, Katherine A; Evan, Andrew P; Sommer, André J

    2009-07-01

    The impact of kidney stone disease is significant worldwide, yet methods for quantifying stone components remain limited. A new approach requiring minimal sample preparation for the quantitative analysis of kidney stone components has been investigated utilizing attenuated total internal reflection Fourier transform infrared spectroscopy (ATR-FT-IR). Calcium oxalate monohydrate (COM) and hydroxylapatite (HAP), two of the most common constituents of urinary stones, were used for quantitative analysis. Calibration curves were constructed using integrated band intensities of four infrared absorptions versus concentration (weight %). The correlation coefficients of the calibration curves range from 0.997 to 0.93. The limits of detection range from 0.07 +/- 0.02% COM/HAP where COM is the analyte and HAP is the matrix, to 0.26 +/- 0.07% HAP/COM where HAP is the analyte and COM is the matrix. This study shows that linear calibration curves can be generated for the quantitative analysis of stone mixtures provided the system is well understood especially with respect to particle size.

  2. Prospects for the design of an ultraviolet imaging Fourier transform spectrometer

    Science.gov (United States)

    Lemaire, Philippe

    2017-11-01

    Recent results from solar observations in the far and extremeultraviolet (FUV/EUV) obtained from SOHO (SOlar and Heliospheric Observatory) and TRACE (Transition Region Camera) show the extreme variability of the solar atmosphere. Within the limited resolution of the instruments (1-2 arcseconds) horizontal and vertical velocities up-to 100 to 400 km s-1 have been measured. With an horizontal velocity of 100 km s-1 an one arsecond structure crosses the one arcsecond slit width of a classical slit spectrometer in less than 10 seconds. In the future, with higher angular resolution (e.g. 0.1 arcsecond), the capability to study small structures will be greatly reduced by a classical slit spectrometer. To be able to characterize the small scale solar atmospheric structures formed in the 104 K to 106 K temperature range (which emit in the 30 to 180 nm wavelength range) a spectrometer without slit (or with wide slit) is required. At the same time to obtain an accurate measurement of the doppler velocity an high spectral resolution is needed. The two requirements, high spectral resolution and large slit, are difficult to be simultaneously fulfilled with a classical slit spectrometer within the limited volume of a space instrumentation. Also, we propose to use an Imaging Fourier Transform Spectrometer (IFTS) to provide simultaneously a bidimensionnal field and an accurate determination of line profiles and positions. The development of Fourier Transform Spectrometers (FTS), although popular in the infrared, has been very limited in the UV/FUV by the lack of very high quality beam splitter. Since 10 years, the use of diffraction gratings as beam splitters has been suggested and few intruments have been built ([Chak 94]; [Clea 92]; [File 00]). These instruments illustrate some applications in the new wavelength domain opened by using a beam splitter grating, but do not yet provide the full capabilities of an FTS. In this paper we present several optical schemes which can

  3. High-resolution magnetic-domain imaging by Fourier transform holography at 21 nm wavelength

    International Nuclear Information System (INIS)

    Schaffert, Stefan; Pfau, Bastian; Günther, Christian M; Schneider, Michael; Korff Schmising, Clemens von; Eisebitt, Stefan; Geilhufe, Jan

    2013-01-01

    Exploiting x-ray magnetic circular dichroism at the L-edges of 3d transition metals, Fourier transform holography has become a standard technique to investigate magnetic samples with sub-100 nm spatial resolution. Here, magnetic imaging in the 21 nm wavelength regime using M-edge circular dichroism is demonstrated. Ultrafast pulses in this wavelength regime are increasingly available from both laser- and accelerator-driven soft x-ray sources. We explain the adaptations concerning sample preparation and data evaluation compared to conventional holography in the 1 nm wavelength range. We find the correction of the Fourier transform hologram to in-plane Fourier components to be critical for high-quality reconstruction and demonstrate 70 nm spatial resolution in magnetization imaging with this approach. (paper)

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

    Science.gov (United States)

    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 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.

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

    Science.gov (United States)

    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.

  6. Validation of MOPITT carbon monoxide using ground-based Fourier transform infrared spectrometer data from NDACC

    Science.gov (United States)

    Buchholz, Rebecca R.; Deeter, Merritt N.; Worden, Helen M.; Gille, John; Edwards, David P.; Hannigan, James W.; Jones, Nicholas B.; Paton-Walsh, Clare; Griffith, David W. T.; Smale, Dan; Robinson, John; Strong, Kimberly; Conway, Stephanie; Sussmann, Ralf; Hase, Frank; Blumenstock, Thomas; Mahieu, Emmanuel; Langerock, Bavo

    2017-06-01

    The Measurements of Pollution in the Troposphere (MOPITT) satellite instrument provides the longest continuous dataset of carbon monoxide (CO) from space. We perform the first validation of MOPITT version 6 retrievals using total column CO measurements from ground-based remote-sensing Fourier transform infrared spectrometers (FTSs). Validation uses data recorded at 14 stations, that span a wide range of latitudes (80° N to 78° S), in the Network for the Detection of Atmospheric Composition Change (NDACC). MOPITT measurements are spatially co-located with each station, and different vertical sensitivities between instruments are accounted for by using MOPITT averaging kernels (AKs). All three MOPITT retrieval types are analyzed: thermal infrared (TIR-only), joint thermal and near infrared (TIR-NIR), and near infrared (NIR-only). Generally, MOPITT measurements overestimate CO relative to FTS measurements, but the bias is typically less than 10 %. Mean bias is 2.4 % for TIR-only, 5.1 % for TIR-NIR, and 6.5 % for NIR-only. The TIR-NIR and NIR-only products consistently produce a larger bias and lower correlation than the TIR-only. Validation performance of MOPITT for TIR-only and TIR-NIR retrievals over land or water scenes is equivalent. The four MOPITT detector element pixels are validated separately to account for their different uncertainty characteristics. Pixel 1 produces the highest standard deviation and lowest correlation for all three MOPITT products. However, for TIR-only and TIR-NIR, the error-weighted average that includes all four pixels often provides the best correlation, indicating compensating pixel biases and well-captured error characteristics. We find that MOPITT bias does not depend on latitude but rather is influenced by the proximity to rapidly changing atmospheric CO. MOPITT bias drift has been bound geographically to within ±0.5 % yr-1 or lower at almost all locations.

  7. Application of the fractional Fourier transform to image reconstruction in MRI.

    Science.gov (United States)

    Parot, Vicente; Sing-Long, Carlos; Lizama, Carlos; Tejos, Cristian; Uribe, Sergio; Irarrazaval, Pablo

    2012-07-01

    The classic paradigm for MRI requires a homogeneous B(0) field in combination with linear encoding gradients. Distortions are produced when the B(0) is not homogeneous, and several postprocessing techniques have been developed to correct them. Field homogeneity is difficult to achieve, particularly for short-bore magnets and higher B(0) fields. Nonlinear magnetic components can also arise from concomitant fields, particularly in low-field imaging, or intentionally used for nonlinear encoding. In any of these situations, the second-order component is key, because it constitutes the first step to approximate higher-order fields. We propose to use the fractional Fourier transform for analyzing and reconstructing the object's magnetization under the presence of quadratic fields. The fractional fourier transform provides a precise theoretical framework for this. We show how it can be used for reconstruction and for gaining a better understanding of the quadratic field-induced distortions, including examples of reconstruction for simulated and in vivo data. The obtained images have improved quality compared with standard Fourier reconstructions. The fractional fourier transform opens a new paradigm for understanding the MR signal generated by an object under a quadratic main field or nonlinear encoding. Copyright © 2011 Wiley Periodicals, Inc.

  8. Advances in passive-remote and extractive Fourier transform infrared spectroscopic systems

    International Nuclear Information System (INIS)

    Demirgian, J.C.; Hammer, C.; Hwang, E.; Mao, Zhuoxiong.

    1993-01-01

    The Clean Air Act of 1990 requires the monitoring of air toxics including those from incinerator emissions. Continuous emission monitors (CEM) would demonstrate the safety of incinerators and address public concern about emissions of hazardous organic compounds. Fourier transform infrared (FTIR) spectroscopy can provide the technology for continuous emission monitoring of stacks. Stack effluent can be extracted and analyzed in less than one minute with conventional FTIR spectrometers. Passive-remote FTIR spectrometers can detect certain emission gases over 1 km away from a stack. The authors discuss advances in both extractive and passive-remote FTIR technology. Extractive systems are being tested with EPA protocols, which will soon replace periodic testing methods. Standard operating procedures for extractive systems are being developed and tested. Passive-remote FTIR spectrometers have the advantage of not requiring an extracted sample; however, they have less sensitivity. We have evaluated the ability of commercially available systems to detect fugitive plumes and to monitor carbon monoxide at a coal-fired power plant

  9. Infrared absorption of gaseous ClCS detected with time-resolved Fourier-transform spectroscopy

    International Nuclear Information System (INIS)

    Chu, Li-Kang; Han, Hui-Ling; Lee, Yuan-Pern

    2007-01-01

    A transient infrared absorption spectrum of gaseous ClCS was detected with a step-scan Fourier-transform spectrometer coupled with a multipass absorption cell. ClCS was produced upon irradiating a flowing mixture of Cl 2 CS and N 2 or CO 2 with a KrF excimer laser at 248 nm. A transient band in the region of 1160-1220 cm -1 , which diminished on prolonged reaction, is assigned to the C-S stretching (ν 1 ) mode of ClCS. Calculations with density-functional theory (B3P86 and B3LYP/aug-cc-pVTZ) predict the geometry, vibrational wave numbers, and rotational parameters of ClCS. The rotational contour of the spectrum of ClCS simulated based on predicted rotational parameters agrees satisfactorily with experimental observation; from spectral simulation, the band origin is determined to be at 1194.4 cm -1 . Reaction kinetics involving ClCS, CS, and CS 2 are discussed

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

    Science.gov (United States)

    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.

  11. Application of Fourier transform near-infrared spectroscopy to optimization of green tea steaming process conditions.

    Science.gov (United States)

    Ono, Daiki; Bamba, Takeshi; Oku, Yuichi; Yonetani, Tsutomu; Fukusaki, Eiichiro

    2011-09-01

    In this study, we constructed prediction models by metabolic fingerprinting of fresh green tea leaves using Fourier transform near-infrared (FT-NIR) spectroscopy and partial least squares (PLS) regression analysis to objectively optimize of the steaming process conditions in green tea manufacture. The steaming process is the most important step for manufacturing high quality green tea products. However, the parameter setting of the steamer is currently determined subjectively by the manufacturer. Therefore, a simple and robust system that can be used to objectively set the steaming process parameters is necessary. We focused on FT-NIR spectroscopy because of its simple operation, quick measurement, and low running costs. After removal of noise in the spectral data by principal component analysis (PCA), PLS regression analysis was performed using spectral information as independent variables, and the steaming parameters set by experienced manufacturers as dependent variables. The prediction models were successfully constructed with satisfactory accuracy. Moreover, the results of the demonstrated experiment suggested that the green tea steaming process parameters could be predicted on a larger manufacturing scale. This technique will contribute to improvement of the quality and productivity of green tea because it can objectively optimize the complicated green tea steaming process and will be suitable for practical use in green tea manufacture. Copyright © 2011 The Society for Biotechnology, Japan. Published by Elsevier B.V. All rights reserved.

  12. Application of Fourier transform infrared (FT-IR) spectroscopy in determination of microalgal compositions.

    Science.gov (United States)

    Meng, Yingying; Yao, Changhong; Xue, Song; Yang, Haibo

    2014-01-01

    Fourier transform infrared spectroscopy (FT-IR) was applied in algal strain screening and monitoring cell composition dynamics in a marine microalga Isochrysis zhangjiangensis during algal cultivation. The content of lipid, carbohydrate and protein of samples determined by traditional methods had validated the accuracy of FT-IR method. For algal screening, the band absorption ratios of lipid/amide I and carbo/amide I from FT-IR measurements allowed for the selection of Isochrysis sp. and Tetraselmis subcordiformis as the most potential lipid and carbohydrate producers, respectively. The cell composition dynamics of I. zhangjiangensis measured by FT-IR revealed the diversion of carbon allocation from protein to carbohydrate and neutral lipid when nitrogen-replete cells were subjected to nitrogen limitation. The carbo/amide I band absorption ratio had also been demonstrated to depict physiological status under nutrient stress in T. subcordiformis. FT-IR serves as a tool for the simultaneous measurement of lipid, carbohydrate, and protein content in cell. Copyright © 2013 Elsevier Ltd. All rights reserved.

  13. Characterization of underground storage tank sludge using fourier transform infrared photoacoustic spectroscopy

    International Nuclear Information System (INIS)

    Luo, S.; Bajic, S.J.; Jones, R.W.

    1994-01-01

    Analysis of underground storage tank (UST) contents is critical for the determination of proper disposal protocols and storage procedures of nuclear waste materials. Tank volume reduction processes during the 1940's and 50's have produced a waste form that compositionally varies widely and has a consistency that ranges from paste like sludge to saltcake. The heterogeneity and chemical reactivity of the waste form makes analysis difficult by most conventional methods which require extensive sample preparation. In this paper, a method is presented to characterize nuclear waste from UST's at the Westinghouse Hanford Site in Washington State, using Fourier transform infrared-photoacoustic spectroscopy (FTIR-PAS). FTIR-PAS measurements on milligram amounts of surrogate sludge samples have been used to accurately identify phosphate, sulfate, nitrite, nitrate and ferrocyanide components. A simple sample preparation method was followed to provide a reproducible homogeneous sample for quantitative analysis. The sample preparation method involved freeze drying the sludge sample prior to analysis to prevent the migration of soluble species. Conventional drying (e.g., air or, oven) leads to the formation of crystals near the surface where evaporation occurs. Sample preparation as well as the analytical utility of this method will be discussed

  14. Assessment of Azithromycin in Pharmaceutical Formulation by Fourier-transform Infrared (FT-IR Transmission Spectroscopy

    Directory of Open Access Journals (Sweden)

    Muhammad Ali Mallah

    2011-12-01

    Full Text Available A simple, rapid and economical method for azithromycin quantification in solid tablet and capsule formulations has been developed by applying Fourier-transform Infrared (FT-IR transmission spectroscopy for regular quality monitoring. The newly developed method avoids the sample preparation, except grinding for pellet formation and does not involve consumption of any solvent as it absolutely eliminates the need of extraction. KBr pellets were employed for the appraisal of azithromycin while acquiring spectra of standards as well as samples on FT-IR. By selecting the FT-IR carbonyl band (C=O in the region 1,744–1,709 cm−1 the calibration model was developed based on simple Beer’s law. The excellent regression coefficient (R2 0.999 was accomplished for calibration set having standard error of calibration equal to 0.01 mg. The current work exposes that transmission FT-IR spectroscopy can definitely be applied to determine the exact amount of azithromycin to control the processing and quality of solid formulations with reduced cost and short analysis time.

  15. Authentication of edible vegetable oils adulterated with used frying oil by Fourier Transform Infrared Spectroscopy.

    Science.gov (United States)

    Zhang, Qing; Liu, Cheng; Sun, Zhijian; Hu, Xiaosong; Shen, Qun; Wu, Jihong

    2012-06-01

    The application of Fourier Transform Infrared (FTIR) Spectroscopy to authenticate edible vegetable oils (corn, peanut, rapeseed and soybean oil) adulterated with used frying oil was introduced in this paper. The FTIR spectrum of oil was divided into 22 regions which corresponded to the constituents and molecular structures of vegetable oils. Samples of calibration set were classified into four categories for corn and peanut oils and five categories for rapeseed and soybean oils by cluster analysis. Qualitative analysis of validation set was obtained by discriminant analysis. Area ratio between absorption band 19 and 20 and wavenumber shift of band 19 were treated by linear regression for quantitative analysis. For four adulteration types, LODs of area ratio were 6.6%, 7.2%, 5.5%, 3.6% and wavenumber shift were 8.1%, 9.0%, 6.9%, 5.6%, respectively. The proposed methodology is a useful tool to authenticate the edible vegetable oils adulterated with used frying oil. Copyright © 2011 Elsevier Ltd. All rights reserved.

  16. Identification of Contaminated Cells with Viruses, Bacteria, or Fungi by Fourier Transform Infrared Microspectroscopy

    Directory of Open Access Journals (Sweden)

    V. Erukhimovitch

    2013-01-01

    Full Text Available Fourier transform infrared microspectroscopy (FTIR-M can detect small molecular changes in cells and therefore was previously applied for the identification of different biological samples. In the present study, FTIR spectroscopy was used for the identification and discrimination of Vero cells infected with herpes viruses or contaminated with bacteria or fungi in cell culture. Vero cells in culture were infected herpes simplex virus type 1 (HSV-1 or contaminated with E. coli bacteria or Candida albicans fungi and analyzed by FTIR microscopy at 24 h postinfection/contamination. Specific different spectral changes were observed according to the infecting or contaminating agent. For instance, both pure fungi and cell culture contaminated with this fungi showed specific peaks at 1030 cm−1 and at 1373 cm−1 regions, while pure E. coli and cell culture contaminated with this bacteria showed a specific and unique peak at 1657 cm−1. These results support the potential of developing FTIR microspectroscopy as a simple, reagent free method for identification and discrimination between different tissue infection or contamination with various pathogens.

  17. A New Green Method for the Quantitative Analysis of Enrofloxacin by Fourier-Transform Infrared Spectroscopy.

    Science.gov (United States)

    Rebouças, Camila Tavares; Kogawa, Ana Carolina; Salgado, Hérida Regina Nunes

    2018-05-18

    Background: A green analytical chemistry method was developed for quantification of enrofloxacin in tablets. The drug, a second-generation fluoroquinolone, was first introduced in veterinary medicine for the treatment of various bacterial species. Objective: This study proposed to develop, validate, and apply a reliable, low-cost, fast, and simple IR spectroscopy method for quantitative routine determination of enrofloxacin in tablets. Methods: The method was completely validated according to the International Conference on Harmonisation guidelines, showing accuracy, precision, selectivity, robustness, and linearity. Results: It was linear over the concentration range of 1.0-3.0 mg with correlation coefficients >0.9999 and LOD and LOQ of 0.12 and 0.36 mg, respectively. Conclusions: Now that this IR method has met performance qualifications, it can be adopted and applied for the analysis of enrofloxacin tablets for production process control. The validated method can also be utilized to quantify enrofloxacin in tablets and thus is an environmentally friendly alternative for the routine analysis of enrofloxacin in quality control. Highlights: A new green method for the quantitative analysis of enrofloxacin by Fourier-Transform Infrared spectroscopy was validated. It is a fast, clean and low-cost alternative for the evaluation of enrofloxacin tablets.

  18. Technology of the Gramophone Records of the Music Museum by Fourier Transform Infrared Spectrometry (FTIR Method

    Directory of Open Access Journals (Sweden)

    Seyedeh Zeinab Afzali

    2017-02-01

    Full Text Available Music is one of the branches of the art whose helpful role and usefulness in the human’s mind and soul is undeniable. It is the only art which in the philosophers’ divisions is directly linked with the human spirit and immediate overflows the ears of his soul. The sound, as a psychological phenomenon is associated with the emotion and excitement so that sometimes calms and sometimes confuses the human. This study aims to examine the technology of the gramophone records in the Music Museum by Fourier transform infrared spectrometry (FTIR. The method of this research is experimental and the data are collected by documentation, library, and using FTIR tests. Some records of the Music Museum were studied including four samples of 78 rpm platter (stone platter, one sample of 45 rpm, and one sample of 33 rpm (vinyl platter. The results of the FTIR test indicated that the materials of the records were vinyl and shellac and in their raw material, some of the softening additives (phthalates and fillers (silica and calcium carbonate compounds had been used.

  19. Analysis of pork adulteration in beef meatball using Fourier transform infrared (FTIR) spectroscopy.

    Science.gov (United States)

    Rohman, A; Sismindari; Erwanto, Y; Che Man, Yaakob B

    2011-05-01

    Meatball is one of the favorite foods in Indonesia. The adulteration of pork in beef meatball is frequently occurring. This study was aimed to develop a fast and non destructive technique for the detection and quantification of pork in beef meatball using Fourier transform infrared (FTIR) spectroscopy and partial least square (PLS) calibration. The spectral bands associated with pork fat (PF), beef fat (BF), and their mixtures in meatball formulation were scanned, interpreted, and identified by relating them to those spectroscopically representative to pure PF and BF. For quantitative analysis, PLS regression was used to develop a calibration model at the selected fingerprint regions of 1200-1000 cm(-1). The equation obtained for the relationship between actual PF value and FTIR predicted values in PLS calibration model was y = 0.999x + 0.004, with coefficient of determination (R(2)) and root mean square error of calibration are 0.999 and 0.442, respectively. The PLS calibration model was subsequently used for the prediction of independent samples using laboratory made meatball samples containing the mixtures of BF and PF. Using 4 principal components, root mean square error of prediction is 0.742. The results showed that FTIR spectroscopy can be used for the detection and quantification of pork in beef meatball formulation for Halal verification purposes. Copyright © 2010 The American Meat Science Association. Published by Elsevier Ltd. All rights reserved.

  20. Applying Fourier Transform Mid Infrared Spectroscopy to Detect the Adulteration of Salmo salar with Oncorhynchus mykiss

    Science.gov (United States)

    Moreira, Maria João

    2018-01-01

    The aim of this study was to evaluate the potential of Fourier transform infrared (FTIR) spectroscopy coupled with chemometric methods to detect fish adulteration. Muscles of Atlantic salmon (Salmo salar) (SS) and Salmon trout (Onconrhynchus mykiss) (OM) muscles were mixed in different percentages and transformed into mini-burgers. These were stored at 3 °C, then examined at 0, 72, 160, and 240 h for deteriorative microorganisms. Mini-burgers was submitted to Soxhlet extraction, following which lipid extracts were analyzed by FTIR. The principal component analysis (PCA) described the studied adulteration using four principal components with an explained variance of 95.60%. PCA showed that the absorbance in the spectral region from 721, 1097, 1370, 1464, 1655, 2805, to 2935, 3009 cm−1 may be attributed to biochemical fingerprints related to differences between SS and OM. The partial least squares regression (PLS-R) predicted the presence/absence of adulteration in fish samples of an external set with high accuracy. The proposed methods have the advantage of allowing quick measurements, despite the storage time of the adulterated fish. FTIR combined with chemometrics showed that a methodology to identify the adulteration of SS with OM can be established, even when stored for different periods of time. PMID:29621135

  1. Molecular profiling of sepsis in mice using Fourier Transform Infrared Microspectroscopy.

    Science.gov (United States)

    Gautam, Rekha; Deobagkar-Lele, Mukta; Majumdar, Shamik; Chandrasekar, Bhagawat; Victor, Emmanuel; Ahmed, Syed Moiz; Wadhwa, Nitin; Verma, Taru; Kumar, Srividya; Sundaresan, Nagalingam Ravi; Umapathy, Siva; Nandi, Dipankar

    2016-01-01

    Sepsis is a life threatening condition resulting from a high burden of infection. It is a major health care problem and associated with inflammation, organ dysfunction and significant mortality. However, proper understanding and delineating the changes that occur during this complex condition remains a challenge. A comparative study involving intra-peritoneal injection of BALB/c mice with Salmonella Typhimurium (infection), lipopolysaccharide (endotoxic shock) or thioglycollate (sterile peritonitis) was performed. The changes in organs and sera were profiled using immunological assays and Fourier Transform Infrared (FTIR) micro-spectroscopy. There is a rapid rise in inflammatory cytokines accompanied with lowering of temperature, respiratory rate and glucose amounts in mice injected with S. Typhimurium or lipopolysaccharide. FTIR identifies distinct changes in liver and sera: decrease in glycogen and protein/lipid ratio and increase in DNA and cholesteryl esters. These changes were distinct from the pattern observed in mice treated with thioglycollate and the differences in the data obtained between the three models are discussed. The combination of FTIR spectroscopy and other biomarkers will be valuable in monitoring molecular changes during sepsis. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  2. A Fourier-Transform Infrared Study of Biochar Aging in Soils

    Science.gov (United States)

    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

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

    Science.gov (United States)

    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.

  4. Portable Gas Analyzer Based on Fourier Transform Infrared Spectrometer for Patrolling and Examining Gas Exhaust

    Directory of Open Access Journals (Sweden)

    Yuntao Liang

    2015-01-01

    Full Text Available Aimed at monitoring emission of organic gases such as CH4, C2H6, C3H8, iso-C4H10, n-C4H10, C2H4, C3H6, C2H2, CO, and CO2, from coal mines, petroleum refineries, and other plants, a Fourier Transform Infrared (FT-IR spectrometer was used to develop a portable gas analyzer for patrolling and examining gas exhaust. Firstly, structure of the instrument was introduced. Then, a spectral analysis approach was presented. Finally, instrument was tested with standard gases and with actual gases emitted from a petroleum refinery. For the latter test, a gas chromatograph (GC was used as a reference instrument. The test results showed that the detection limit of every component of analyte was less than 10 × 10−6. The maximum test error of every analyte was less than 15 × 10−6 when its practical concentration was no more than 500 × 10−6. A final comparison showed that the result curves of analytes obtained with FT-IR spectrometer almost overlapped with those obtained with GC, and their resulting noise was less than 6.4% when the practical gas concentration was above 100 × 10−6. As a result, our instrument was suitable to be used as a portable instrument for monitoring exhaust gases.

  5. Multivariate Calibration and Model Integrity for Wood Chemistry Using Fourier Transform Infrared Spectroscopy

    Directory of Open Access Journals (Sweden)

    Chengfeng Zhou

    2015-01-01

    Full Text Available This research addressed a rapid method to monitor hardwood chemical composition by applying Fourier transform infrared (FT-IR spectroscopy, with particular interest in model performance for interpretation and prediction. Partial least squares (PLS and principal components regression (PCR were chosen as the primary models for comparison. Standard laboratory chemistry methods were employed on a mixed genus/species hardwood sample set to collect the original data. PLS was found to provide better predictive capability while PCR exhibited a more precise estimate of loading peaks and suggests that PCR is better for model interpretation of key underlying functional groups. Specifically, when PCR was utilized, an error in peak loading of ±15 cm−1 from the true mean was quantified. Application of the first derivative appeared to assist in improving both PCR and PLS loading precision. Research results identified the wavenumbers important in the prediction of extractives, lignin, cellulose, and hemicellulose and further demonstrated the utility in FT-IR for rapid monitoring of wood chemistry.

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

    Science.gov (United States)

    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.

  7. Quantitative analysis of red wine tannins using Fourier-transform mid-infrared spectrometry.

    Science.gov (United States)

    Fernandez, Katherina; Agosin, Eduardo

    2007-09-05

    Tannin content and composition are critical quality components of red wines. No spectroscopic method assessing these phenols in wine has been described so far. We report here a new method using Fourier transform mid-infrared (FT-MIR) spectroscopy and chemometric techniques for the quantitative analysis of red wine tannins. Calibration models were developed using protein precipitation and phloroglucinolysis as analytical reference methods. After spectra preprocessing, six different predictive partial least-squares (PLS) models were evaluated, including the use of interval selection procedures such as iPLS and CSMWPLS. PLS regression with full-range (650-4000 cm(-1)), second derivative of the spectra and phloroglucinolysis as the reference method gave the most accurate determination for tannin concentration (RMSEC = 2.6%, RMSEP = 9.4%, r = 0.995). The prediction of the mean degree of polymerization (mDP) of the tannins also gave a reasonable prediction (RMSEC = 6.7%, RMSEP = 10.3%, r = 0.958). These results represent the first step in the development of a spectroscopic methodology for the quantification of several phenolic compounds that are critical for wine quality.

  8. Identification of organic components and commercial grade dedication using Fourier Transform near infrared spectroscopy

    International Nuclear Information System (INIS)

    Azizian, H.

    2000-01-01

    The over all quality assurance programs for the design, fabrication, and construction of nuclear power plants, both in Canada and USA have long been established. A need for an acceptance process to allow the use of commercial grade items to be utilized in safety related applications has been recognized. A guideline in the EPRI NP-5652 report and in the Appendix D of the CAN3-N286.2-86 standard is outlined for testing of commercial grade components. A new nondestructive and cost effective NIR identification technology is now available to meet the above requirements. The Fourier Transform near infrared spectroscopy (FT-NIR), in the past, has shown to have the capabilities to identify cable insulation non-destructively and in-situ. This paper presents data to show the diversity of the NIR technology in the identification of three different non-metallic materials (wire insulation, 0-rings, and greases, all part of the operation of the safety related equipment) for the purposes of quality assurance, quality control, and the commercial grade dedication of components. The enhanced quality control and quality assurance will result in significant savings not only in testing but also in the continuous and reliable operations of power plants. (author)

  9. Detection of emission sources using passive-remote Fourier transform infrared spectroscopy

    International Nuclear Information System (INIS)

    Demirgian, J.C.; Macha, S.M.; Darby, S.M.; Ditillo, J.

    1995-01-01

    The detection and identification of toxic chemicals released in the environment is important for public safety. Passive-remote Fourier transform infrared (FTIR) spectrometers can be used to detect these releases. Their primary advantages are their small size and ease of setup and use. Open-path FTIR spectrometers are used to detect concentrations of pollutants from a fixed frame of reference. These instruments detect plumes, but they are too large and difficult to aim to be used to track a plume to its source. Passive remote FTIR spectrometers contain an interferometer, optics, and a detector. They can be used on tripods and in some cases can be hand-held. A telescope can be added to most units. We will discuss the capability of passive-remote FTIR spectrometers to detect the origin of plumes. Low concentration plumes were released using a custom-constructed vaporizer. These plumes were detected with different spectrometers from different distances. Passive-remote spectrometers were able to detect small 10 cm on a side chemical releases at concentration-pathlengths at the low parts per million-meter (ppm-m) level

  10. Fourier transform infrared and fluorescence spectroscopy for analysis of vegetable oils

    Directory of Open Access Journals (Sweden)

    Nigri S.

    2013-09-01

    Full Text Available Fourier transform infrared (FTIR and fluorescence spectroscopy, combined with chemometric approaches have been developed to analysis of extra virgin olive oil adulterated with pomace olive oil. The measurements were made on pure vegetable oils: extra virgin oil, pomace olive oil and that adulterated with varying concentration of pomace olive oil. Today, the application of FTIR spectroscopy has increased in food studied, and particularly has become a powerful analytical tool in the study of edible oils and fats. The spectral regions where the variations were observed chosen for developing models and cross validation was used. The synchronous fluorescence spectrometry takes advantage of the hardware capability to vary both the excitation and emission wavelengths during the analysis with constant wavelength difference is maintained between the two. The region between 300 and 400 nm is attributed to the tocopherols and phenols, the derivatives of vitamin E are associated with the region 400–600 nm and the bands in the region of 600–700 nm are attributed to the chlorophyll and peophytin pigments. The results presented in this study suggest that FTIR and fluorescence may be a useful tool for analysis and detecting adulteration of extra virgin olive oil with pomace oil.

  11. Economical Appraisal of Total Aflatoxin Level in the Poultry Feeds by Fourier Transform Infrared Spectroscopy

    International Nuclear Information System (INIS)

    Sherazai, S.T.H.; Shar, Z.; Iqbal, M.; Sumbal, G.A.

    2013-01-01

    Single-bounce attenuated total reflectance (SB-ATR) Fourier transform infrared (FTIR) spectroscopy has been used for the quantitative determination of total aflatoxins in the broiler poultry feed. An FTIR calibration spanning the range 1-70 micro g/L aflatoxin standards in (70:30, v/v) methanol-water solvent system based on partial least square (PLS) model, developed by relating mid IR region between 3755-950 cm/ sub -1/. The excellent coefficient of various (using 0.998) was achieved with 1.49 relative mean square error of calibration (RMSEC). Aflatoxins from each of eight poultry feeds was extracted and the determined by the widely used commercially available Enzyme-linked Immunosorbent Assay (ELISA) procedure and the SB-ATR/FTIR method. The SB-ATR/FTIR aflatoxins predictions were related to those determined by the ELISA method by linear regression, producing an R value of 0.989 and a SD of +- 2.80 micro g/L. The result of the study clearly indicated that FT-IR spectroscopy due to its rapidity and simplicity along with data manipulation by advance computer software could be effectively used for routine determination of aflatoxins present in the poultry feeds at very low level. (author)

  12. Spectroscopic analysis of bladder cancer tissues using Fourier transform infrared spectroscopy

    Science.gov (United States)

    Al-Muslet, Nafie A.; Ali, Essam E.

    2012-03-01

    Bladder cancer is one of the most common cancers in Africa. It takes several days to reach a diagnosis using histological examinations of specimens obtained by endoscope, which increases the medical expense. Recently, spectroscopic analysis of bladder cancer tissues has received considerable attention as a diagnosis technique due to its sensitivity to biochemical variations in the samples. This study investigated the use of Fourier transform infrared (FTIR) spectroscopy to analyze a number of bladder cancer tissues. Twenty-two samples were collected from 11 patients diagnosed with bladder cancer from different hospitals without any pretreatment. From each patient two samples were collected, one normal and another cancerous. FTIR spectrometer was used to differentiate between normal and cancerous bladder tissues via changes in spectra of these samples. The investigations detected obvious changes in the bands of proteins (1650, 1550 cm-1), lipids (2925, 2850 cm-1), and nucleic acid (1080, 1236 cm-1). The results show that FTIR spectroscopy is promising as a rapid, accurate, nondestructive, and easy to use alternative method for identification and diagnosis of bladder cancer tissues.

  13. Rapid Quantitative Analysis of Forest Biomass Using Fourier Transform Infrared Spectroscopy and Partial Least Squares Regression

    Directory of Open Access Journals (Sweden)

    Gifty E. Acquah

    2016-01-01

    Full Text Available Fourier transform infrared reflectance (FTIR spectroscopy has been used to predict properties of forest logging residue, a very heterogeneous feedstock material. Properties studied included the chemical composition, thermal reactivity, and energy content. The ability to rapidly determine these properties is vital in the optimization of conversion technologies for the successful commercialization of biobased products. Partial least squares regression of first derivative treated FTIR spectra had good correlations with the conventionally measured properties. For the chemical composition, constructed models generally did a better job of predicting the extractives and lignin content than the carbohydrates. In predicting the thermochemical properties, models for volatile matter and fixed carbon performed very well (i.e., R2 > 0.80, RPD > 2.0. The effect of reducing the wavenumber range to the fingerprint region for PLS modeling and the relationship between the chemical composition and higher heating value of logging residue were also explored. This study is new and different in that it is the first to use FTIR spectroscopy to quantitatively analyze forest logging residue, an abundant resource that can be used as a feedstock in the emerging low carbon economy. Furthermore, it provides a complete and systematic characterization of this heterogeneous raw material.

  14. Investigating the bioavailability of graphene quantum dots in lung tissues via Fourier transform infrared spectroscopy.

    Science.gov (United States)

    Tabish, Tanveer A; Lin, Liangxu; Ali, Muhammad; Jabeen, Farhat; Ali, Muhammad; Iqbal, Rehana; Horsell, David W; Winyard, Paul G; Zhang, Shaowei

    2018-06-06

    Biomolecular fractions affect the fate and behaviour of quantum dots (QDs) in living systems but how the interactions between biomolecules and QDs affect the bioavailability of QDs is a major knowledge gap in risk assessment analysis. The transport of QDs after release into a living organism is a complex process. The majority accumulate in the lungs where they can directly affect the inhalation process and lung architecture. Here, we investigate the bioavailability of graphene quantum dots (GQDs) to the lungs of rats by measuring the alterations in macromolecular fractions via Fourier transform infrared spectroscopy (FTIR). GQDs were intravenously injected into the rats in a dose-dependent manner (low (5 mg kg -1 ) and high (15 mg kg -1 ) doses of GQDs per body weight of rat) for 7 days. The lung tissues were isolated, processed and haematoxylin-eosin stained for histological analysis to identify cell death. Key biochemical differences were identified by spectral signatures: pronounced changes in cholesterol were found in two cases of low and high doses; a change in phosphorylation profile of substrate proteins in the tissues was observed in low dose at 24 h. This is the first time biomolecules have been measured in biological tissue using FTIR to investigate the biocompatibility of foreign material. We found that highly accurate toxicological changes can be investigated with FTIR measurements of tissue sections. As a result, FTIR could form the basis of a non-invasive pre-diagnostic tool for predicting the toxicity of GQDs.

  15. Stereochemistry of quinoxaline antagonist binding to a glutamate receptor investigated by Fourier transform infrared spectroscopy.

    Science.gov (United States)

    Madden, D R; Thiran, S; Zimmermann, H; Romm, J; Jayaraman, V

    2001-10-12

    The stereochemistry of the interactions between quinoxaline antagonists and the ligand-binding domain of the glutamate receptor 4 (GluR4) have been investigated by probing their vibrational modes using Fourier transform infrared spectroscopy. In solution, the electron-withdrawing nitro groups of both compounds establish a resonance equilibrium that appears to stabilize the keto form of one of the cyclic amide carbonyl bonds. Changes in the 6,7-dinitro-2,3-dihydroxyquinoxaline vibrational spectra on binding to the glutamate receptor, interpreted within the framework of a published crystal structure, illuminate the stereochemistry of the interaction and suggest that the binding site imposes a more polarized electronic bonding configuration on this antagonist. Similar spectral changes are observed for 6-cyano-7-dinitro-2,3-dihydroxyquinoxaline, confirming that its interactions with the binding site are highly similar to those of 6,7-dinitro-2,3-dihydroxyquinoxaline and leading to a model of the 6-cyano-7-dinitro-2,3-dihydroxyquinoxaline-S1S2 complex, for which no crystal structure is available. Conformational changes within the GluR ligand binding domain were also monitored. Compared with the previously reported spectral changes seen on binding of the agonist glutamate, only a relatively small change is detected on antagonist binding. This correlation between the functional effects of different classes of ligand and the magnitude of the spectroscopic changes they induce suggests that the spectral data reflect physiologically relevant conformational processes.

  16. Detailed description of oil shale organic and mineralogical heterogeneity via fourier transform infrared mircoscopy

    Science.gov (United States)

    Washburn, Kathryn E.; Birdwell, Justin E.; Foster, Michael; Gutierrez, Fernando

    2015-01-01

    Mineralogical and geochemical information on reservoir and source rocks is necessary to assess and produce from petroleum systems. The standard methods in the petroleum industry for obtaining these properties are bulk measurements on homogenized, generally crushed, and pulverized rock samples and can take from hours to days to perform. New methods using Fourier transform infrared (FTIR) spectroscopy have been developed to more rapidly obtain information on mineralogy and geochemistry. However, these methods are also typically performed on bulk, homogenized samples. We present a new approach to rock sample characterization incorporating multivariate analysis and FTIR microscopy to provide non-destructive, spatially resolved mineralogy and geochemistry on whole rock samples. We are able to predict bulk mineralogy and organic carbon content within the same margin of error as standard characterization techniques, including X-ray diffraction (XRD) and total organic carbon (TOC) analysis. Validation of the method was performed using two oil shale samples from the Green River Formation in the Piceance Basin with differing sedimentary structures. One sample represents laminated Green River oil shales, and the other is representative of oil shale breccia. The FTIR microscopy results on the oil shales agree with XRD and LECO TOC data from the homogenized samples but also give additional detail regarding sample heterogeneity by providing information on the distribution of mineral phases and organic content. While measurements for this study were performed on oil shales, the method could also be applied to other geological samples, such as other mudrocks, complex carbonates, and soils.

  17. Prediction of valid acidity in intact apples with Fourier transform near infrared spectroscopy.

    Science.gov (United States)

    Liu, Yan-De; Ying, Yi-Bin; Fu, Xia-Ping

    2005-03-01

    To develop nondestructive acidity prediction for intact Fuji apples, the potential of Fourier transform near infrared (FT-NIR) method with fiber optics in interactance mode was investigated. Interactance in the 800 nm to 2619 nm region was measured for intact apples, harvested from early to late maturity stages. Spectral data were analyzed by two multivariate calibration techniques including partial least squares (PLS) and principal component regression (PCR) methods. A total of 120 Fuji apples were tested and 80 of them were used to form a calibration data set. The influences of different data preprocessing and spectra treatments were also quantified. Calibration models based on smoothing spectra were slightly worse than that based on derivative spectra, and the best result was obtained when the segment length was 5 nm and the gap size was 10 points. Depending on data preprocessing and PLS method, the best prediction model yielded correlation coefficient of determination (r2) of 0.759, low root mean square error of prediction (RMSEP) of 0.0677, low root mean square error of calibration (RMSEC) of 0.0562. The results indicated the feasibility of FT-NIR spectral analysis for predicting apple valid acidity in a nondestructive way.

  18. Quality assessment of pharmaceutical tablet samples using Fourier transform near infrared spectroscopy and multivariate analysis

    Science.gov (United States)

    Kandpal, Lalit Mohan; Tewari, Jagdish; Gopinathan, Nishanth; Stolee, Jessica; Strong, Rick; Boulas, Pierre; Cho, Byoung-Kwan

    2017-09-01

    Determination of the content uniformity, assessed by the amount of an active pharmaceutical ingredient (API), and hardness of pharmaceutical materials is important for achieving a high-quality formulation and to ensure the intended therapeutic effects of the end-product. In this work, Fourier transform near infrared (FT-NIR) spectroscopy was used to determine the content uniformity and hardness of a pharmaceutical mini-tablet and standard tablet samples. Tablet samples were scanned using an FT-NIR instrument and tablet spectra were collected at wavelengths of 1000-2500 nm. Furthermore, multivariate analysis was applied to extract the relationship between the FT-NIR spectra and the measured parameters. The results of FT-NIR spectroscopy for API and hardness prediction were as precise as the reference high-performance liquid chromatography and mechanical hardness tests. For the prediction of mini-tablet API content, the highest coefficient of determination for the prediction (R2p) was found to be 0.99 with a standard error of prediction (SEP) of 0.72 mg. Moreover, the standard tablet hardness measurement had a R2p value of 0.91 with an SEP of 0.25 kg. These results suggest that FT-NIR spectroscopy is an alternative and accurate nondestructive measurement tool for the detection of the chemical and physical properties of pharmaceutical samples.

  19. Supercritical Fluid Chromatography/Fourier Transform Infrared Spectroscopy Of Food Components

    Science.gov (United States)

    Calvey, Elizabeth M.; Page, Samuel W.; Taylor, Larry T.

    1989-12-01

    Supercritical fluid (SF) technologies are being investigated extensively for applications in food processing. The number of SF-related patents issued testifies to the level of interest. Among the properties of materials at temperatures and pressures above their critical points (supercritical fluids) is density-dependent solvating power. Supercritical CO2 is of particular interest to the food industry because of its low critical temperature (31.3°C) and low toxicity. Many of the components in food matrices react or degrade at elevated temperatures and may be adversely affected by high temperature extractions. Likewise, these components may not be amenable to GC analyses. Our SF research has been in the development of methods employing supercritical fluid chromatography (SFC) and extraction (SFE) coupled to a Fourier transform infrared (FT-IR) spectrometer to investigate food composition. The effects of processing techniques on the isomeric fatty acid content of edible oils and the analysis of lipid oxidation products using SFC/FT-IR with a flow-cell interface are described.

  20. Analysis of Index Gases of Coal Spontaneous Combustion Using Fourier Transform Infrared Spectrometer

    Directory of Open Access Journals (Sweden)

    Xiaojun Tang

    2014-01-01

    Full Text Available Analysis of the index gases of coal for the prevention of spontaneous combustion is of great importance for the enhancement of coal mine safety. In this work, Fourier Transform Infrared Spectrometer (FTIRS is presented to be used to analyze the index gases of coal in real time to monitor spontaneous combustion conditions. Both the instrument parameters and the analysis method are introduced at first by combining characteristics of the absorption spectra of the target analyte with the analysis requirements. Next, more than ten sets of the gas mixture containing ten components (CH4, C2H6, C3H8, iso-C4H10, n-C4H10, C2H4, C3H6, C2H2, CO, and CO2 are included and analyzed with a Spectrum Two FTIRS made by Perkin Elmer. The testing results show that the detection limit of most analytes is less than 2×10-6. All the detection limits meet the monitoring requirements of coal spontaneous combustion in China, which means that FTIRS may be an ideal instrument and the analysis method used in this paper is sufficient for spontaneous combustion gas monitoring on-line and even in situ, since FTIRS has many advantages such as fast analysis, being maintenance-free, and good safety.

  1. Fourier Transform Infrared Radiation Spectroscopy Applied for Wood Rot Decay and Mould Fungi Growth Detection

    Directory of Open Access Journals (Sweden)

    Bjørn Petter Jelle

    2012-01-01

    Full Text Available Material characterization may be carried out by the attenuated total reflectance (ATR Fourier transform infrared (FTIR radiation spectroscopical technique, which represents a powerful experimental tool. The ATR technique may be applied on both solid state materials, liquids, and gases with none or only minor sample preparations, also including materials which are nontransparent to IR radiation. This facilitation is made possible by pressing the sample directly onto various crystals, for example, diamond, with high refractive indices, in a special reflectance setup. Thus ATR saves time and enables the study of materials in a pristine condition, that is, the comprehensive sample preparation by pressing thin KBr pellets in traditional FTIR transmittance spectroscopy is hence avoided. Materials and their ageing processes, both ageing by natural and accelerated climate exposure, decomposition and formation of chemical bonds and products, may be studied in an ATR-FTIR analysis. In this work, the ATR-FTIR technique is utilized to detect wood rot decay and mould fungi growth on various building material substrates. An experimental challenge and aim is to be able to detect the wood rot decay and mould fungi growth at early stages when it is barely visible to the naked eye. Another goal is to be able to distinguish between various species of fungi and wood rot.

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

    Science.gov (United States)

    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.

  3. Intelligent Controller for a Compact Wide-Band Compositional Infrared Fourier Transform Spectrometer

    Science.gov (United States)

    Yiu, P.; Keymeulen, D.; Berisford, D. F.; Hand, K. P.; Carlson, R. W.

    2013-12-01

    This paper presents the design and integration of an intelligent controller for CIRIS (Compositional InfraRed Interferometric Spectrometer) on a stand-alone field programmable gate array (FPGA) architecture. CIRIS is a novel take on traditional Fourier Transform Spectrometers (FTS) and replaces linearly moving mirrors (characteristic of Michelson interferometers) with a constant-velocity rotating refractor to variably phase shift and alter the path length of incoming light. This design eliminates the need for periodically accelerating/decelerating mirrors inherent to canonical Michelson designs and allows for a compact and robust device that is intrinsically radiation-hard, making it ideal for spaceborne measurements in the near-IR to thermal-IR band (2-12 μm) on planetary exploration missions. A traditional Michelson FTS passes a monochromatic light source (incident light from the sample) through a system of refractors/mirrors followed by a mirror moving linearly in the plane of the incident light. This process selectively blocks certain wavelengths and permits measurement of the sample's absorption rates as a function of the wavelengths blocked to produce an 'inteferogram.' This is subsequently processed using a Fourier transform to obtain the sample's spectrum and ascertain the sample's composition. With our prototype CIRIS instrument in development at Design and Prototype Inc. and NASA-JPL, we propose the use of a rotating refractor spinning at a constant velocity to variably phase shift incident light to the detector as an alternative to a linearly moving mirror. This design eliminates sensitivity to vibrations, minimizing path length and non-linear errors due to minor perturbations to the system, in addition to facilitating compact design critical to meeting the strict volume requirements of spacecraft. Further, this is done without sacrificing spectral resolution or throughput when compared to Michelson or diffractive designs. While Michelson designs

  4. Radiometric modeling and calibration of the Geostationary Imaging Fourier Transform Spectrometer (GIFTS) ground based measurement experiment

    Science.gov (United States)

    Tian, Jialin; Smith, William L.; Gazarik, Michael J.

    2008-12-01

    The ultimate remote sensing benefits of the high resolution Infrared radiance spectrometers will be realized with their geostationary satellite implementation in the form of imaging spectrometers. This will enable dynamic features of the atmosphere's thermodynamic fields and pollutant and greenhouse gas constituents to be observed for revolutionary improvements in weather forecasts and more accurate air quality and climate predictions. As an important step toward realizing this application objective, the Geostationary Imaging Fourier Transform Spectrometer (GIFTS) Engineering Demonstration Unit (EDU) was successfully developed under the NASA New Millennium Program, 2000-2006. The GIFTS-EDU instrument employs three focal plane arrays (FPAs), which gather measurements across the long-wave IR (LWIR), short/mid-wave IR (SMWIR), and visible spectral bands. The GIFTS calibration is achieved using internal blackbody calibration references at ambient (260 K) and hot (286 K) temperatures. In this paper, we introduce a refined calibration technique that utilizes Principle Component (PC) analysis to compensate for instrument distortions and artifacts, therefore, enhancing the absolute calibration accuracy. This method is applied to data collected during the GIFTS Ground Based Measurement (GBM) experiment, together with simultaneous observations by the accurately calibrated AERI (Atmospheric Emitted Radiance Interferometer), both simultaneously zenith viewing the sky through the same external scene mirror at ten-minute intervals throughout a cloudless day at Logan Utah on September 13, 2006. The accurately calibrated GIFTS radiances are produced using the first four PC scores in the GIFTS-AERI regression model. Temperature and moisture profiles retrieved from the PC-calibrated GIFTS radiances are verified against radiosonde measurements collected throughout the GIFTS sky measurement period. Using the GIFTS GBM calibration model, we compute the calibrated radiances from data

  5. Fourier Transform Infrared Spectroscopy to Quantify Collagen and Elastin in an In Vitro Model of Extracellular Matrix Degradation in Aorta

    Science.gov (United States)

    Cheheltani, Rabee; McGoverin, Cushla M.; Rao, Jayashree; Vorp, David A.; Kiani, Mohammad F.; Pleshko, N.

    2014-01-01

    Extracellular matrix (ECM) is a key component and regulator of many biological tissues including aorta. Several aortic pathologies are associated with significant changes in the composition of the matrix, especially in the content, quality and type of aortic structural proteins, collagen and elastin. The purpose of this study was to develop an infrared spectroscopic methodology that is comparable to biochemical assays to quantify collagen and elastin in aorta. Enzymatically degraded porcine aorta samples were used as a model of ECM degradation in abdominal aortic aneurysm (AAA). After enzymatic treatment, Fourier transform infrared (FTIR) spectra of the aortic tissue were acquired by an infrared fiber optic probe (IFOP) and FTIR imaging spectroscopy (FT-IRIS). Collagen and elastin content were quantified biochemically and partial least squares (PLS) models were developed to predict collagen and elastin content in aorta based on FTIR spectra. PLS models developed from FT-IRIS spectra were able to predict elastin and collagen content of the samples with strong correlations (RMSE of validation = 8.4% and 11.1% of the range respectively), and IFOP spectra were successfully used to predict elastin content (RMSE = 11.3% of the range). The PLS regression coefficients from the FT-IRIS models were used to map collagen and elastin in tissue sections of degraded porcine aortic tissue as well as a human AAA biopsy tissue, creating a similar map of each component compared to histology. These results support further application of FTIR spectroscopic techniques for evaluation of AAA tissues. PMID:24761431

  6. Fourier transform infrared spectroscopy to quantify collagen and elastin in an in vitro model of extracellular matrix degradation in aorta.

    Science.gov (United States)

    Cheheltani, Rabee; McGoverin, Cushla M; Rao, Jayashree; Vorp, David A; Kiani, Mohammad F; Pleshko, Nancy

    2014-06-21

    Extracellular matrix (ECM) is a key component and regulator of many biological tissues including aorta. Several aortic pathologies are associated with significant changes in the composition of the matrix, especially in the content, quality and type of aortic structural proteins, collagen and elastin. The purpose of this study was to develop an infrared spectroscopic methodology that is comparable to biochemical assays to quantify collagen and elastin in aorta. Enzymatically degraded porcine aorta samples were used as a model of ECM degradation in abdominal aortic aneurysm (AAA). After enzymatic treatment, Fourier transform infrared (FTIR) spectra of the aortic tissue were acquired by an infrared fiber optic probe (IFOP) and FTIR imaging spectroscopy (FT-IRIS). Collagen and elastin content were quantified biochemically and partial least squares (PLS) models were developed to predict collagen and elastin content in aorta based on FTIR spectra. PLS models developed from FT-IRIS spectra were able to predict elastin and collagen content of the samples with strong correlations (RMSE of validation = 8.4% and 11.1% of the range respectively), and IFOP spectra were successfully used to predict elastin content (RMSE = 11.3% of the range). The PLS regression coefficients from the FT-IRIS models were used to map collagen and elastin in tissue sections of degraded porcine aortic tissue as well as a human AAA biopsy tissue, creating a similar map of each component compared to histology. These results support further application of FTIR spectroscopic techniques for evaluation of AAA tissues.

  7. The application of Fourier transform infrared microspectroscopy for the study of diseased central nervous system tissue.

    Science.gov (United States)

    Caine, Sally; Heraud, Philip; Tobin, Mark J; McNaughton, Donald; Bernard, Claude C A

    2012-02-15

    In the last two decades the field of infrared spectroscopy has seen enormous advances in both instrumentation and the development of bioinformatic methods for spectral analysis, allowing the examination of a large variety of healthy and diseased samples, including biological fluids, isolated cells, whole tissues, and tissue sections. The non-destructive nature of the technique, together with the ability to directly probe biochemical changes without the addition of stains or contrast agents, enables a range of complementary analyses. This review focuses on the application of Fourier transform infrared (FTIR) microspectroscopy to analyse central nervous system tissues, with the aim of understanding the biochemical and structural changes associated with neurodegenerative diseases such as Alzheimer's disease, Parkinson's disease, transmissible spongiform encephalopathies, multiple sclerosis, as well as brain tumours. Modern biospectroscopic methods that combine FTIR microspectroscopy with bioinformatic analysis constitute a powerful new methodology that can discriminate pathology from normal healthy tissue in a rapid, unbiased fashion, with high sensitivity and specificity. Notably, the ability to detect protein secondary structural changes associated with Alzheimer's plaques, neurons in Parkinson's disease, and in some spectra from meningioma, as well as in the animal models of Alzheimer's disease, transmissible spongiform encephalopathies, and multiple sclerosis, illustrates the power of this technology. The capacity to offer insight into the biochemical and structural changes underpinning aetio-pathogenesis of diseases in tissues provides both a platform to investigate early pathologies occurring in a variety of experimentally induced and naturally occurring central nervous system diseases, and the potential to evaluate new therapeutic approaches. Copyright © 2011 Elsevier Inc. All rights reserved.

  8. An evaluation of IASI-NH3 with ground-based Fourier transform infrared spectroscopy measurements

    Directory of Open Access Journals (Sweden)

    E. Dammers

    2016-08-01

    Full Text Available Global distributions of atmospheric ammonia (NH3 measured with satellite instruments such as the Infrared Atmospheric Sounding Interferometer (IASI contain valuable information on NH3 concentrations and variability in regions not yet covered by ground-based instruments. Due to their large spatial coverage and (bi-daily overpasses, the satellite observations have the potential to increase our knowledge of the distribution of NH3 emissions and associated seasonal cycles. However the observations remain poorly validated, with only a handful of available studies often using only surface measurements without any vertical information. In this study, we present the first validation of the IASI-NH3 product using ground-based Fourier transform infrared spectroscopy (FTIR observations. Using a recently developed consistent retrieval strategy, NH3 concentration profiles have been retrieved using observations from nine Network for the Detection of Atmospheric Composition Change (NDACC stations around the world between 2008 and 2015. We demonstrate the importance of strict spatio-temporal collocation criteria for the comparison. Large differences in the regression results are observed for changing intervals of spatial criteria, mostly due to terrain characteristics and the short lifetime of NH3 in the atmosphere. The seasonal variations of both datasets are consistent for most sites. Correlations are found to be high at sites in areas with considerable NH3 levels, whereas correlations are lower at sites with low atmospheric NH3 levels close to the detection limit of the IASI instrument. A combination of the observations from all sites (Nobs = 547 give a mean relative difference of −32.4 ± (56.3 %, a correlation r of 0.8 with a slope of 0.73. These results give an improved estimate of the IASI-NH3 product performance compared to the previous upper-bound estimates (−50 to +100 %.

  9. Effects of gamma irradiation on microhardness and Fourier Transform Infrared Spectroscopy of bovine bone

    Energy Technology Data Exchange (ETDEWEB)

    Dias, Derly Augusto; Pereira, Daisa L.; Gomes, Gabriela V.; Sugahara, Vanessa M.L.; Mathor, Monica B.; Zezell, Denise Maria, E-mail: zezell@usp.br [Instituto de Pesquisas Energeticas e Nucleares (IPEN/CNEN-SP), Sao Paulo, SP (Brazil). Centro para Lasers e Aplicacoes

    2017-07-01

    The skeletal systems with the structural arrangement of the bone are very important for load distribution, mechanical resistance and vital organs protection. The bone structure is multiphase and composed of organic, inorganic (mineral) compounds and water. Gamma radiation is an ionizing radiation that comes from gamma radiation sources or X-ray generator is commonly used in health establishments such as radio diagnostic exams, radiotherapy and sterilization of allograft. The characterization of the irradiated bone tissue can be is an important tool to study of the components that are affected and how much each dose of ionizing radiation can alter its mechanical properties. This information will be very important in in vitro and ex vivo studies where sterilization of the bone material is necessary and may still be useful in understanding the effects on the bone tissue of patients undergoing short-term radiotherapy. For this, 110 samples of bovine femur diaphysis were randomized into 11 groups: G1 untreated (control); G2 to G11 were submitted to gamma irradiation ({sup 60}Co Gammacel). Samples were polished before irradiation and submitted to a Knoop Microhardness Test to determine the hardness of bovine bone and Fourier transform Infrared spectroscopy (FTIR) to biochemical characterization. Spectra were collected in the mid-infrared range in Attenuated Total Reflectance (ATR) sampling mode associated whit PCA multivariate technique to evaluate the molecular changes in bone matrix. It was observed that hardness was not altered by gamma irradiation and FTIR spectroscopy associated with PCA is a good method to analyze the changes in bone tissue submitted to ionizing radiation. (author)

  10. Effects of gamma irradiation on microhardness and Fourier Transform Infrared Spectroscopy of bovine bone

    International Nuclear Information System (INIS)

    Dias, Derly Augusto; Pereira, Daisa L.; Gomes, Gabriela V.; Sugahara, Vanessa M.L.; Mathor, Monica B.; Zezell, Denise Maria

    2017-01-01

    The skeletal systems with the structural arrangement of the bone are very important for load distribution, mechanical resistance and vital organs protection. The bone structure is multiphase and composed of organic, inorganic (mineral) compounds and water. Gamma radiation is an ionizing radiation that comes from gamma radiation sources or X-ray generator is commonly used in health establishments such as radio diagnostic exams, radiotherapy and sterilization of allograft. The characterization of the irradiated bone tissue can be is an important tool to study of the components that are affected and how much each dose of ionizing radiation can alter its mechanical properties. This information will be very important in in vitro and ex vivo studies where sterilization of the bone material is necessary and may still be useful in understanding the effects on the bone tissue of patients undergoing short-term radiotherapy. For this, 110 samples of bovine femur diaphysis were randomized into 11 groups: G1 untreated (control); G2 to G11 were submitted to gamma irradiation ("6"0Co Gammacel). Samples were polished before irradiation and submitted to a Knoop Microhardness Test to determine the hardness of bovine bone and Fourier transform Infrared spectroscopy (FTIR) to biochemical characterization. Spectra were collected in the mid-infrared range in Attenuated Total Reflectance (ATR) sampling mode associated whit PCA multivariate technique to evaluate the molecular changes in bone matrix. It was observed that hardness was not altered by gamma irradiation and FTIR spectroscopy associated with PCA is a good method to analyze the changes in bone tissue submitted to ionizing radiation. (author)

  11. [Identification of Dendrobium varieties by Fourier transform infrared spectroscopy combined with spectral retrieval].

    Science.gov (United States)

    Liu, Fei; Wang, Yuan-zhong; Deng, Xing-yan; Jin, Hang; Yang, Chun-yan

    2014-06-01

    The infrared spectral of stems of 165 trees of 23 Dendrobium varieties were obtained by means of Fourier transform infrared spectroscopy technique. The spectra show that the spectra of all the samples were similar, and the main components of stem of Dendrobium is cellulose. By the spectral professional software Omnic8.0, three spectral databases were constructed. Lib01 includes of the average spectral of the first four trees of every variety, while Lib02 and Lib03 are constructed from the first-derivative spectra and the second-derivative spectra of average spectra, separately. The correlation search, the square difference retrieval and the square differential difference retrieval of the spectra are performed with the spectral database Lib01 in the specified range of 1 800-500 cm(-1), and the yield correct rate of 92.7%, 74.5% and 92.7%, respectively. The square differential difference retrieval of the first-derivative spectra and the second-derivative spectra is carried out with Lib02 and Lib03 in the same specified range 1 800-500 cm(-1), and shows correct rate of 93.9% for the former and 90.3% for the later. The results show that the first-derivative spectral retrieval of square differential difference algorithm is more suitabe for discerning Dendrobium varieties, and FTIR combining with the spectral retrieval method can identify different varieties of Dendrobium, and the correlation retrieval, the square differential retrieval, the first-derivative spectra and second-derivative spectra retrieval in the specified spectral range are effective and simple way of distinguishing different varieties of Dendrobium.

  12. Study on the algorithm of computational ghost imaging based on discrete fourier transform measurement matrix

    Science.gov (United States)

    Zhang, Leihong; Liang, Dong; Li, Bei; Kang, Yi; Pan, Zilan; Zhang, Dawei; Gao, Xiumin; Ma, Xiuhua

    2016-07-01

    On the basis of analyzing the cosine light field with determined analytic expression and the pseudo-inverse method, the object is illuminated by a presetting light field with a determined discrete Fourier transform measurement matrix, and the object image is reconstructed by the pseudo-inverse method. The analytic expression of the algorithm of computational ghost imaging based on discrete Fourier transform measurement matrix is deduced theoretically, and compared with the algorithm of compressive computational ghost imaging based on random measurement matrix. The reconstruction process and the reconstruction error are analyzed. On this basis, the simulation is done to verify the theoretical analysis. When the sampling measurement number is similar to the number of object pixel, the rank of discrete Fourier transform matrix is the same as the one of the random measurement matrix, the PSNR of the reconstruction image of FGI algorithm and PGI algorithm are similar, the reconstruction error of the traditional CGI algorithm is lower than that of reconstruction image based on FGI algorithm and PGI algorithm. As the decreasing of the number of sampling measurement, the PSNR of reconstruction image based on FGI algorithm decreases slowly, and the PSNR of reconstruction image based on PGI algorithm and CGI algorithm decreases sharply. The reconstruction time of FGI algorithm is lower than that of other algorithms and is not affected by the number of sampling measurement. The FGI algorithm can effectively filter out the random white noise through a low-pass filter and realize the reconstruction denoising which has a higher denoising capability than that of the CGI algorithm. The FGI algorithm can improve the reconstruction accuracy and the reconstruction speed of computational ghost imaging.

  13. Recent applications and current trends in Cultural Heritage Science using synchrotron-based Fourier transform infrared micro-spectroscopy

    Science.gov (United States)

    Cotte, Marine; Dumas, Paul; Taniguchi, Yoko; Checroun, Emilie; Walter, Philippe; Susini, Jean

    2009-09-01

    Synchrotron-based Fourier transform infrared micro-spectroscopy (SR-FTIR) is one of the emerging techniques increasingly employed for Cultural Heritage analytical science. Such a technique combines the assets of FTIR spectroscopy (namely, the identification of molecular groups in various environments: organic/inorganic, crystallized/amorphous, solid/liquid/gas), with the extra potential of chemical imaging (localization of components + easier data treatment thanks to geographical correlations) and the properties of the synchrotron source (namely, high brightness, offering high data quality even with reduced dwell time and reduced spot size). This technique can be applied to nearly all kind of materials found in museum objects, going from hard materials, like metals, to soft materials, like paper, and passing through hybrid materials such as paintings and bones. The purpose is usually the identification of complex compositions in tiny, heterogeneous samples. Recent applications are reviewed in this article, together with the fundamental aspects of the infrared synchrotron source which are leading to such improvements in analytical capabilities. A recent example from the ancient Buddhist paintings from Bamiyan is detailed. Emphasis is made on the true potential offered at such large scale facilities in combining SR-FTIR microscopy with other synchrotron-based micro-imaging techniques. To cite this article: M. Cotte et al., C. R. Physique 10 (2009).

  14. An image hiding method based on cascaded iterative Fourier transform and public-key encryption algorithm

    Science.gov (United States)

    Zhang, B.; Sang, Jun; Alam, Mohammad S.

    2013-03-01

    An image hiding method based on cascaded iterative Fourier transform and public-key encryption algorithm was proposed. Firstly, the original secret image was encrypted into two phase-only masks M1 and M2 via cascaded iterative Fourier transform (CIFT) algorithm. Then, the public-key encryption algorithm RSA was adopted to encrypt M2 into M2' . Finally, a host image was enlarged by extending one pixel into 2×2 pixels and each element in M1 and M2' was multiplied with a superimposition coefficient and added to or subtracted from two different elements in the 2×2 pixels of the enlarged host image. To recover the secret image from the stego-image, the two masks were extracted from the stego-image without the original host image. By applying public-key encryption algorithm, the key distribution was facilitated, and also compared with the image hiding method based on optical interference, the proposed method may reach higher robustness by employing the characteristics of the CIFT algorithm. Computer simulations show that this method has good robustness against image processing.

  15. Comparison of Fourier transform and continuous wavelet transform to study echo-planar imaging flow maps

    Energy Technology Data Exchange (ETDEWEB)

    Rodriguez G, A.; Bowtell, R.; Mansfield, P. [Area de Procesamiento Digital de Senales e Imagenes Biomedicas. Universidad Autonoma Metropolitana Iztapalapa. Mexico D.F. 09340 Mexico (Mexico)

    1998-12-31

    Velocity maps were studied combining Doyle and Mansfield method (1986) with each of the following transforms: Fourier, window Fourier and wavelet (Mexican hat). Continuous wavelet transform was compared against the two Fourier transform to determine which technique is best suited to study blood maps generated by Half Fourier Echo-Planar Imaging. Coefficient images were calculated and plots of the pixel intensity variation are presented. Finally, contour maps are shown to visualize the behavior of the blood flow in the cardiac chambers for the wavelet technique. (Author)

  16. Comparison of Fourier transform and continuous wavelet transform to study echo-planar imaging flow maps

    International Nuclear Information System (INIS)

    Rodriguez G, A.; Bowtell, R.; Mansfield, P.

    1998-01-01

    Velocity maps were studied combining Doyle and Mansfield method (1986) with each of the following transforms: Fourier, window Fourier and wavelet (Mexican hat). Continuous wavelet transform was compared against the two Fourier transform to determine which technique is best suited to study blood maps generated by Half Fourier Echo-Planar Imaging. Coefficient images were calculated and plots of the pixel intensity variation are presented. Finally, contour maps are shown to visualize the behavior of the blood flow in the cardiac chambers for the wavelet technique. (Author)

  17. Image security based on iterative random phase encoding in expanded fractional Fourier transform domains

    Science.gov (United States)

    Liu, Zhengjun; Chen, Hang; Blondel, Walter; Shen, Zhenmin; Liu, Shutian

    2018-06-01

    A novel image encryption method is proposed by using the expanded fractional Fourier transform, which is implemented with a pair of lenses. Here the centers of two lenses are separated at the cross section of axis in optical system. The encryption system is addressed with Fresnel diffraction and phase modulation for the calculation of information transmission. The iterative process with the transform unit is utilized for hiding secret image. The structure parameters of a battery of lenses can be used for additional keys. The performance of encryption method is analyzed theoretically and digitally. The results show that the security of this algorithm is enhanced markedly by the added keys.

  18. The use of the Fourier Transform Infrared spectroscopy to determine adulterants in raw milk

    Directory of Open Access Journals (Sweden)

    Laerte Dagher Cassoli

    2011-11-01

    Full Text Available The objective of this study was to develop calibrations to determine the concentration of some milk adulterants by using the automated methodology of Fourier Transform Infrared (FTIR. For construction of calibrations, samples were collected from 100 farms in the states of São Paulo and Minas Gerais. Samples were tainted with three different adulterants commonly used in the adulteration of raw milk: sodium bicarbonate (SB, sodium citrate (SC and cheese whey (W. Each adulterant was used at three different concentrations (SB: 0.05, 0.10 and 0.25%; SC: 0.025, 0.050 and 0.075% and W: 5, 10 and 20%. For validation, 60 samples were collected in other farms, which were not considered at the development stage of calibration. Adulterants were added at the following concentrations: 0.03, 0.06, 0.10 and 0.12% for SB; 0.02, 0.04, 0.06 and 0.08% for SC and 5, 10 and 20% for W. Performance of each calibration was evaluated in terms of accuracy (Se, detection limit (DL and determination coefficient (R². All calibrations presented R² higher than 0.91 with DL of 0.015%; 0.017% and 3.9% for SB, SC and W, respectively. Accuracy was 0.005%, 0.009% and 2.26% for SB, SC and W, respectively. Results show that the FTIR methodology can be used for determining the concentration of sodium bicarbonate, sodium citrate and whey in raw milk. Associated with automated equipment, it is a viable option for monitoring these adulterants, having low operational costs and high analytical performance as additional features.

  19. Application of Fourier transform infrared (FTIR) spectroscopy for the identification of wheat varieties.

    Science.gov (United States)

    Amir, Rai Muhammad; Anjum, Faqir Muhammad; Khan, Muhammad Issa; Khan, Moazzam Rafiq; Pasha, Imran; Nadeem, Muhammad

    2013-10-01

    Quality characteristics of wheat are determined by different physiochemical and rheological analysis by using different AACC methods. AACC methods are expensive, time consuming and cause destruction of samples. Fourier transforms infrared (FTIR) spectroscopy is one of the most important and emerging tool used for analyzing wheat for different quality parameters. This technique is rapid and sensitive with a great variety of sampling techniques. In the present study different wheat varieties were analyzed for quality assessment and were also characterized by using AACC methods and FTIR technique. The straight grade flour was analyzed for physical, chemical and rheological properties by standard methods and results were obtained. FTIR works on the basis of functional groups and provide information in the form of peaks. On basis of peaks the value of moisture, protein, fat, ash, carbohydrates and hardness of grain were determined. Peaks for water were observed in the range 1,640 cm(-1) and 3,300 cm(-1) on the basis of functional group H and OH. Protein was observed in the range from 1,600 cm(-1) to 1,700 cm(-1) and 1,550 cm(-1) to 1,570 cm(-1) on the basis of bond amide I and amide II respectively. Fat was also observed within these ranges but on the basis of C-H bond and also starch was observed in the range from 2,800 and 3,000 cm(-1) (C-H stretch region) and in the range 3,000 and 3,600 cm(-1) (O-H stretch region). As FTIR is a fast tool it can be easily emplyed for wheat varieties identification according to a set criterion.

  20. Study of dilution of Spin-On Glass by Fourier transform infrared spectroscopy

    International Nuclear Information System (INIS)

    Dominguez, Miguel; Rosales, Pedro; Torres, Alfonso; Moreno, Mario; Orduña, Abdu

    2012-01-01

    In this work, we study the dilution of Spin-On Glass (SOG) in order to obtain high quality SiO 2 films at 200 °C, with optical and electrical characteristics similar to those of the thermally grown SiO 2 . For the production of SiO 2 films we used 2-propanol and deionized water (DI) as diluents for the SOG and we compared the electrical and optical film properties with those of the films obtained from undiluted SOG. From Fourier transform infrared spectroscopy we observed a considerable reduction of Si-OH (920 cm −1 ), O-H (3490 cm −1 ) and C-H, C-O bonds (1139 cm −1 ) in the films produced from SOG diluted with DI. Besides the above, the insulator breakdown field was approximately 21 MV/cm, the refractive index and the dielectric constant were close to those of the thermally grown SiO 2 . Our results suggest that the film produced from SOG diluted with DI and cured at 200 °C is an excellent candidate to be used as insulator on flexible and large-area electronics. - Highlights: ► Preparation of high quality silicon oxide (SiO 2 ) films at 200 °C. ► Dilution of Spin-On Glass (SOG) solution was studied. ► Dilution of SOG is necessary to obtain high quality films annealed at 200 °C. ► n and k are close to those of the thermally grown SiO 2 .

  1. Measurement of breast milk intake using deuterium oxide and fourier transformed infrared spectrophotometer - a pilot study

    International Nuclear Information System (INIS)

    Adom, T.; Bansa, D.; Boatin, R.; Vuore, T.; Datohe, D.; Timpo, S.; Asamoa-Tutu, P.

    2011-01-01

    The measurement of breast milk intake of infants is essential to the estimation of nutrient requirements during infancy and lactation. The conventional method, test-weighing procedure for measuring breast milk is time consuming, most often inaccurate and may interfere with the mother's normal activities. A more practical and accurate method is isotope dilution using stable isotope-labelled water. The accuracy and ready availability of deuterium oxide (D 2 O) have led to its extensive use in measuring body composition and breast milk intake of infants. The D 2 O turnover method was field-tested in 13 lactating Ghanaian mother-baby pairs. Maternal and baby anthropometric measurements were made. Baby milk intake and maternal body composition were measured with the dose-to-mother method. Pre-dose samples of saliva were taken from each mother-baby pair. A measured D 2 O dose (30g) was administered orally to the mother. Post-dose saliva samples were collected from mother and baby on days 1, 2, 3, 4, 13, and 14. Samples were analysed using Fourier Transformed Infrared Spectrophotometer (FTIR). The mean ± SD maternal age was 24 ± 5 years. Babies were aged 3.5 months on the average and weighed 6.7 ± 0.7 kg. Mean milk intake of babies was 828 ± 132 ml/day with a range of 610 to 1040 ml/day. Maternal fat free mass and % body fat were 44.8 ± 5.3 kg, 23.1 ± 5.1 respectively. This non-invasive and convenient method has been used successfully to measure breast milk intake of Ghanaian infants. (au)

  2. Study of dilution of Spin-On Glass by Fourier transform infrared spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Dominguez, Miguel, E-mail: mdominguez@inaoep.mx [National Institute for Astrophysics, Optics and Electronics (INAOE), Electronics Department, Luis Enrique Erro No. 1, Puebla 72840 (Mexico); Rosales, Pedro; Torres, Alfonso; Moreno, Mario [National Institute for Astrophysics, Optics and Electronics (INAOE), Electronics Department, Luis Enrique Erro No. 1, Puebla 72840 (Mexico); Orduna, Abdu [CIBA-Tlaxcala, Instituto Politecnico Nacional, Tepetitla, Tlax. 90700 (Mexico)

    2012-05-31

    In this work, we study the dilution of Spin-On Glass (SOG) in order to obtain high quality SiO{sub 2} films at 200 Degree-Sign C, with optical and electrical characteristics similar to those of the thermally grown SiO{sub 2}. For the production of SiO{sub 2} films we used 2-propanol and deionized water (DI) as diluents for the SOG and we compared the electrical and optical film properties with those of the films obtained from undiluted SOG. From Fourier transform infrared spectroscopy we observed a considerable reduction of Si-OH (920 cm{sup -1}), O-H (3490 cm{sup -1}) and C-H, C-O bonds (1139 cm{sup -1}) in the films produced from SOG diluted with DI. Besides the above, the insulator breakdown field was approximately 21 MV/cm, the refractive index and the dielectric constant were close to those of the thermally grown SiO{sub 2}. Our results suggest that the film produced from SOG diluted with DI and cured at 200 Degree-Sign C is an excellent candidate to be used as insulator on flexible and large-area electronics. - Highlights: Black-Right-Pointing-Pointer Preparation of high quality silicon oxide (SiO{sub 2}) films at 200 Degree-Sign C. Black-Right-Pointing-Pointer Dilution of Spin-On Glass (SOG) solution was studied. Black-Right-Pointing-Pointer Dilution of SOG is necessary to obtain high quality films annealed at 200 Degree-Sign C. Black-Right-Pointing-Pointer n and k are close to those of the thermally grown SiO{sub 2}.

  3. Study of tissue engineered bone nodules by Fourier transform infrared spectroscopy.

    Science.gov (United States)

    Aydin, Halil Murat; Hu, Bin; Suso, Josep Sulé; El Haj, Alicia; Yang, Ying

    2011-02-21

    The key criteria for assessing the success of bone tissue engineering are the quality and quantity of the produced minerals within the cultured constructs. The accumulation of calcium ions and inorganic phosphates in culture medium serves as nucleating agents for the formation of hydroxyapatite, which is the main inorganic component of bone. Bone nodule formation is one of the hallmarks of mineralization in such cell cultures. In this study, we developed a new two-step procedure to accelerate bone formation in which mouse bone cell aggregates were produced first on various chemically treated non-adhesive substrates. After this step, the bone cells' growth and mineralization were followed in conventional culture plates. The number and size of cell aggregates were studied with light microscopy. The minerals' formation in the form of nodules produced by the cell aggregates and the bone crystal quality were studied with Fourier Transform Infrared (FTIR) spectroscopy. The FTIR spectra of the ash specimens (mineral phase only) from thermal gravimetric analysis (TGA) provided valuable information of the quality of the minerals. The υ(4) PO(4) region (550-650 cm(-1)), which reveals apatitic and non-apatitic HPO(4) or PO(4) environments, and phosphate region (910-1180 cm(-1)) were examined for the minerals produced in the form of nodules. The peak position and intensity of the spectra demonstrate that the quality of the bone produced by cell aggregates, especially from the bigger ones, which were formed on Plunoric treated substrates, exhibit a composition more similar to that of native bone. This work establishes a new protocol for high quality bone formation and characterization, with the potential to be applied to bone tissue engineering.

  4. A Fourier transform infrared trace gas and isotope analyser for atmospheric applications

    Directory of Open Access Journals (Sweden)

    D. W. T. Griffith

    2012-10-01

    Full Text Available Concern in recent decades about human impacts on Earth's climate has led to the need for improved and expanded measurement capabilities of greenhouse gases in the atmosphere. In this paper we describe in detail an in situ trace gas analyser based on Fourier Transform Infrared (FTIR spectroscopy that is capable of simultaneous and continuous measurements of carbon dioxide (CO2, methane (CH4, carbon monoxide (CO, nitrous oxide (N2O and 13C in CO2 in air with high precision. High accuracy is established by reference to measurements of standard reference gases. Stable water isotopes can also be measured in undried airstreams. The analyser is automated and allows unattended operation with minimal operator intervention. Precision and accuracy meet and exceed the compatibility targets set by the World Meteorological Organisation – Global Atmosphere Watch for baseline measurements in the unpolluted troposphere for all species except 13C in CO2.

    The analyser is mobile and well suited to fixed sites, tower measurements, mobile platforms and campaign-based measurements. The isotopic specificity of the optically-based technique and analysis allows its application in isotopic tracer experiments, for example in tracing variations of 13C in CO2 and 15N in N2O. We review a number of applications illustrating use of the analyser in clean air monitoring, micrometeorological flux and tower measurements, mobile measurements on a train, and soil flux chamber measurements.

  5. Infrared absorption of CH3OSO detected with time-resolved Fourier-transform spectroscopy.

    Science.gov (United States)

    Chen, Jin-Dah; Lee, Yuan-Pern

    2011-03-07

    A step-scan Fourier-transform spectrometer coupled with a multipass absorption cell was employed to detect temporally resolved infrared absorption spectra of CH(3)OSO produced upon irradiation of a flowing gaseous mixture of CH(3)OS(O)Cl in N(2) or CO(2) at 248 nm. Two intense transient features with origins near 1152 and 994 cm(-1) are assigned to syn-CH(3)OSO; the former is attributed to overlapping bands at 1154 ± 3 and 1151 ± 3 cm(-1), assigned to the S=O stretching mixed with CH(3) rocking (ν(8)) and the S=O stretching mixed with CH(3) wagging (ν(9)) modes, respectively, and the latter to the C-O stretching (ν(10)) mode at 994 ± 6 cm(-1). Two weak bands at 2991 ± 6 and 2956 ± 3 cm(-1) are assigned as the CH(3) antisymmetric stretching (ν(2)) and symmetric stretching (ν(3)) modes, respectively. Observed vibrational transition wavenumbers agree satisfactorily with those predicted with quantum-chemical calculations at level B3P86∕aug-cc-pVTZ. Based on rotational parameters predicted at that level, the simulated rotational contours of these bands agree satisfactorily with experimental results. The simulation indicates that the S=O stretching mode of anti-CH(3)OSO near 1164 cm(-1) likely makes a small contribution to the observed band near 1152 cm(-1). A simple kinetic model of self-reaction is employed to account for the decay of CH(3)OSO and yields a second-order rate coefficient k=(4 ± 2)×10(-10) cm(3)molecule(-1)s(-1). © 2011 American Institute of Physics.

  6. Qualitative Assessment of Soil Carbon in a Rehabilitated Forest Using Fourier Transform Infrared Spectroscopy

    Directory of Open Access Journals (Sweden)

    Huck-Ywih Ch'ng

    2011-01-01

    Full Text Available Logging and poor shifting cultivation negatively affect initial soil carbon (C storage, especially at the initial stage of deforestation, as these practices lead to global warming. As a result, an afforestation program is needed to mitigate this problem. This study assessed initial soil C buildup of rehabilitated forests using Fourier transform infrared (FTIR spectroscopy. The relatively high E4/E6 values of humic acids (HAs in the rehabilitated forest indicate prominence of aliphatic components, suggesting that the HAs were of low molecular weight. The total acidity, carboxylic (-COOH and phenolic (-OH of the rehabilitated forest were found to be consistent with the ranges reported by other researchers. The spectra of all locations were similar because there was no significant difference in the quantities of C in humic acids (CHA regardless of forest age and soil depth. The spectra showed distinct absorbance at 3290, 1720, 1630, 1510, 1460, 1380, and 1270 cm-1. Increase of band at 1630 and 1510 cm-1 from 0–20 to 40–60 cm were observed, suggesting C buildup from the lowest depths 20–40 and 40–60 cm. However, the CHA content in the soil depths was not different. The band at 1630 cm-1 was assigned to carboxylic and aromatic groups. Increase in peak intensity at 1510 cm-1 was because C/N ratio increased with increasing soil depth. This indicates that decomposition rate decreased with increasing soil depth and decreased with CHA. The finding suggests that FTIR spectroscopy enables the assessment of C composition functional group buildup at different depths and ages.

  7. Accuracy of noninvasive breath methane measurements using Fourier transform infrared methods on individual cows.

    Science.gov (United States)

    Lassen, J; Løvendahl, P; Madsen, J

    2012-02-01

    Individual methane (CH(4)) production was recorded repeatedly on 93 dairy cows during milking in an automatic milking system (AMS), with the aim of estimating individual cow differences in CH(4) production. Methane and CO(2) were measured with a portable air sampler and analyzer unit based on Fourier transform infrared (FTIR) detection. The cows were 50 Holsteins and 43 Jerseys from mixed parities and at all stages of lactation (mean=156 d in milk). Breath was captured by the FTIR unit inlet nozzle, which was placed in front of the cow's head in each of the 2 AMS as an admixture to normal barn air. The FTIR unit was running continuously for 3 d in each of 2 AMS units, 1 with Holstein and another with Jersey cows. Air was analyzed every 20 s. From each visit of a cow to the AMS, CH(4) and CO(2) records were summarized into the mean, median, 75, and 90% quantiles. Furthermore, the ratio between CH(4) and CO(2) was used as a derived measure with the idea of using CO(2) in breath as a tracer gas to quantify the production of methane. Methane production records were analyzed with a mixed model, containing cow as random effect. Fixed effects of milk yield and daily intake of the total mixed ration and concentrates were also estimated. The repeatability of the CH(4)-to-CO(2) ratio was 0.39 for Holsteins and 0.34 for Jerseys. Both concentrate intake and total mixed ration intake were positively related to CH(4) production, whereas milk production level was not correlated with CH(4) production. In conclusion, the results from this study suggest that the CH(4)-to-CO(2) ratio measured using the noninvasive method is an asset of the individual cow and may be useful in both management and genetic evaluations. Copyright © 2012 American Dairy Science Association. Published by Elsevier Inc. All rights reserved.

  8. Determination of aluminium induced metabolic changes in mice liver: a Fourier transform infrared spectroscopy study.

    Science.gov (United States)

    Sivakumar, S; Sivasubramanian, J; Khatiwada, Chandra Prasad; Manivannan, J; Raja, B

    2013-06-01

    In this study, we made a new approach to evaluate aluminium induced metabolic changes in liver tissue of mice using Fourier transform infrared spectroscopy analysis taking one step further in correlation with strong biochemical evidence. This finding reveals the alterations on the major biochemical constituents, such as lipids, proteins, nucleic acids and glycogen of the liver tissues of mice. The peak area value of amide A significantly decrease from 288.278±3.121 to 189.872±2.012 between control and aluminium treated liver tissue respectively. Amide I and amide II peak area value also decrease from 40.749±2.052 to 21.170±1.311 and 13.167±1.441 to 8.953±0.548 in aluminium treated liver tissue respectively. This result suggests an alteration in the protein profile. The absence of olefinicCH stretching band and CO stretching of triglycerides in aluminium treated liver suggests an altered lipid levels due to aluminium exposure. Significant shift in the peak position of glycogen may be the interruption of aluminium in the calcium metabolism and the reduced level of calcium. The overall findings exhibit that the liver metabolic program is altered through increasing the structural modification in proteins, triglycerides and quantitative alteration in proteins, lipids, and glycogen. All the above mentioned modifications were protected in desferrioxamine treated mice. Histopathological results also revealed impairment of aluminium induced alterations in liver tissue. The results of the FTIR study were found to be in agreement with biochemical studies and which demonstrate FTIR can be used successfully to indicate the molecular level changes. Copyright © 2013 Elsevier B.V. All rights reserved.

  9. Acid Aging Effects on Surfaces of PTFE Gaskets Investigated by Fourier Transform Infrared Spectroscopy

    Directory of Open Access Journals (Sweden)

    L. Giorgini

    2016-09-01

    Full Text Available This paper investigates the effect of a prolonged acid and thermal attack, on the surface of PTFE by Fourier Transform Infrared Micro-Spectroscopy (FT-IR. The materials are commercialized by two alternative producers in form of Teflon tapes. These tapes are installed in process plants where tires moulds are cleaned inside a multistage ultrasonic process. In these cases, Teflon tapes, having a role of gaskets, show inexplicably phenomena of degradation in relatively short operation periods. Even considering that these gaskets are exposed to the combined effect of ultrasonic waves, temperature, humidity and acid attack, the PTFE properties of resistance nominally exclude the possibility of these severe erosion phenomena. An interesting explanation can be related to the potential presence in the cleaning solution, mainly based on sulfamic acid, of highly reactive chemical compounds, as chlorides and fluorides, originated by the disaggregation of elements from the tire composition and/or additives used as processing aids and/or by catalytic effect generated by fluorine produced by PTFE degradation. In general, up to 300 different chemical elements, both organic and inorganic, natural and synthetic, are merged in a tire. Since this composition is practically unknown, especially regarding additives and “unusual elements”, representing a secrecy of each tire manufactures, it is really complex to define the chemical composition of the cleaning solution with an appropriate precision. As a consequence, the gaskets have been treated with different mixtures of acids in the way to combine a larger range of possibilities. Thus, the FT-IR experimental characterization of PTFE surface properties followed an appropriate accelerated aging, aiming at actuating the specific mechanics of wearing as in industrial use. The different acid treatments adopted for accelerating the aging of gaskets have highlighted the different behaviour of the PTFE matrix, but

  10. Fourier transform infrared difference spectroscopy of bacteriorhodopsin and its photoproducts regenerated with deuterated tyrosine

    International Nuclear Information System (INIS)

    Dollinger, G.; Eisenstein, L.; Lin, S.L.; Nakanishi, K.; Termini, J.

    1986-01-01

    Fourier transform infrared (FTIR) difference spectroscopy has been used to detect the vibrational modes due to tyrosine residues in the protein that change in position or intensity between light-adapted bacteriorhodopsin (LA) and other species, namely, the K and M intermediates and dark-adapted bacteriorhodopsin (DA). To aid in the identification of the bands that change in these various species, the FTIR spectra of the free amino acids Tyr-d0, Tyr-d2 ( 2 H at positions ortho to OH), and Tyr-d4 ( 2 H at positions ortho and meta to OH) were measured in H 2 O and D 2 O at low and high pH. The characteristic frequencies of the Tyr species obtained in this manner were then used to identify the changes in protonation state of the tyrosine residues in the various bacteriorhodopsin species. The two diagnostically most useful bands were the approximately 1480-cm-1 band of Tyr(OH)-d2 and the approximately 1277-cm-1 band of Tyr(O-)-d0. Mainly by observing the appearance or disappearance of these bands in the difference spectra of pigments incorporating the tyrosine isotopes, it was possible to identify the following: in LA, one tyrosine and one tyrosinate; in the K intermediate, two tyrosines; in the M intermediate, one tyrosine and one tyrosinate; and in DA, two tyrosines. Since these residues were observed in the difference spectra K/LA, M/LA, and DA/LA, they represent the tyrosine or tyrosinate groups that most likely undergo changes in protonation state due to the conversions. These changes are most likely linked to the proton translocation process of bacteriorhodopsin

  11. Studies of the structure of insulin fibrils by Fourier transform infrared (FTIR) spectroscopy and electron microscopy.

    Science.gov (United States)

    Nielsen, L; Frokjaer, S; Carpenter, J F; Brange, J

    2001-01-01

    Fibril formation (aggregation) of insulin was investigated in acid media by visual inspection, transmission electron microscopy (TEM), and Fourier transform infrared (FTIR) spectroscopy. Insulin fibrillated faster in hydrochloric acid than in acetic acid at elevated temperatures, whereas the fibrillation tendencies were reversed at ambient temperatures. Electron micrographs showed that bovine insulin fibrils consisted of long fibers with a diameter of 5 to 10 nm and lengths of several microns. The fibrils appeared either as helical filaments (in hydrochloric acid) or arranged laterally in bundles (in acetic acid, NaCl). Freeze-thawing cycles broke the fibrils into shorter segments. FTIR spectroscopy showed that the native secondary structure of insulin was identical in hydrochloric acid and acetic acid, whereas the secondary structure of fibrils formed in hydrochloric acid was different from that formed in acetic acid. Fibrils of bovine insulin prepared by heating or agitating an acid solution of insulin showed an increased content of beta-sheet (mostly intermolecular) and a decrease in the intensity of the alpha-helix band. In hydrochloric acid, the frequencies of the beta-sheet bands depended on whether the fibrillation was induced by heating or agitation. This difference was not seen in acetic acid. Freeze-thawing cycles of the fibrils in hydrochloric acid caused an increase in the intensity of the band at 1635 cm(-1) concomitant with reduction of the band at 1622 cm(-1). The results showed that the structure of insulin fibrils is highly dependent on the composition of the acid media and on the treatment. Copyright 2001 Wiley-Liss Inc. and the American Pharmaceutical Association J Pharm Sci 90: 29-37, 2001

  12. Characterization and quantitation of aprepitant drug substance polymorphs by attenuated total reflectance fourier transform infrared spectroscopy.

    Science.gov (United States)

    Helmy, Roy; Zhou, George X; Chen, Yadan W; Crocker, Louis; Wang, Tao; Wenslow, Robert M; Vailaya, Anant

    2003-02-01

    In this study, we report the use of attenuated total reflectance Fourier transform infrared spectroscopy (ATR-FT-IR) for the identification and quantitation of two polymorphs of Aprepitant, a substance P antagonist for chemotherapy-induced emesis. Mixtures of the polymorph pair were prepared by weight and ATR-FT-IR spectra of the powdered samples were obtained over the wavelength range of 700-1500 cm(-1). Significant spectral differences between the two polymorphs at 1140 cm(-1) show that ATR-FT-IR can provide definitive identification of the polymorphs. To investigate the feasibility of ATR-FT-IR for quantitation of polymorphic forms of Aprepitant, a calibration plot was constructed with known mixtures of the two polymorphs by plotting the peak ratio of the second derivative of absorbance spectra against the weight percent of form II in the polymorphic mixture. Using this novel approach, 3 wt % of one crystal form could be detected in mixtures of the two polymorphs. The accuracy of ATR-FT-IR in determining polymorph purity of the drug substance was tested by comparing the results with those obtained by X-ray powder diffractometry (XRPD). Indeed, polymorphic purity results obtained by ATR-FT-IR were found to be in good agreement with the predictions made by XRPD and compared favorably with actual values in the known mixtures. The present study clearly demonstrates the potential of ATR-FT-IR as a quick, easy, and inexpensive alternative to XRPD for the determination of polymorphic identity and purity of solid drug substances. The technique is ideally suited for polymorph analysis, because it is precise, accurate, and requires minimal sample preparation.

  13. A Panchromatic Imaging Fourier Transform Spectrometer for the NASA Geostationary Coastal and Air Pollution Events Mission

    Science.gov (United States)

    Wu, Yen-Hung; Key, Richard; Sander, Stanley; Blavier, Jean-Francois; Rider, David

    2011-01-01

    This paper summarizes the design and development of the Panchromatic Imaging Fourier Transform Spectrometer (PanFTS) for the NASA Geostationary Coastal and Air Pollution Events (GEO-CAPE) Mission. The PanFTS instrument will advance the understanding of the global climate and atmospheric chemistry by measuring spectrally resolved outgoing thermal and reflected solar radiation. With continuous spectral coverage from the near-ultraviolet through the thermal infrared, this instrument is designed to measure pollutants, greenhouse gases, and aerosols as called for by the U.S. National Research Council Decadal Survey; Earth Science and Applications from Space: National Imperatives for the Next Decade and Beyond1. The PanFTS instrument is a hybrid instrument based on spectrometers like the Tropospheric Emissions Spectrometer (TES) that measures thermal emission, and those like the Orbiting Carbon Observatory (OCO), and the Ozone Monitoring Instrument (OMI) that measure scattered solar radiation. Simultaneous measurements over the broad spectral range from IR to UV is accomplished by a two sided interferometer with separate optical trains and detectors for the ultraviolet-visible and infrared spectral domains. This allows each side of the instrument to be independently optimized for its respective spectral domain. The overall interferometer design is compact because the two sides share a single high precision cryogenic optical path difference mechanism (OPDM) and metrology laser as well as a number of other instrument systems including the line-of-sight pointing mirror, the data management system, thermal control system, electrical system, and the mechanical structure. The PanFTS breadboard instrument has been tested in the laboratory and demonstrated the basic functionality for simultaneous measurements in the visible and infrared. It is set to begin operations in the field at the California Laboratory for Atmospheric Remote Sensing (CLARS) observatory on Mt. Wilson

  14. Colorectal Cancer and Colitis Diagnosis Using Fourier Transform Infrared Spectroscopy and an Improved K-Nearest-Neighbour Classifier.

    Science.gov (United States)

    Li, Qingbo; Hao, Can; Kang, Xue; Zhang, Jialin; Sun, Xuejun; Wang, Wenbo; Zeng, Haishan

    2017-11-27

    Combining Fourier transform infrared spectroscopy (FTIR) with endoscopy, it is expected that noninvasive, rapid detection of colorectal cancer can be performed in vivo in the future. In this study, Fourier transform infrared spectra were collected from 88 endoscopic biopsy colorectal tissue samples (41 colitis and 47 cancers). A new method, viz., entropy weight local-hyperplane k-nearest-neighbor (EWHK), which is an improved version of K-local hyperplane distance nearest-neighbor (HKNN), is proposed for tissue classification. In order to avoid limiting high dimensions and small values of the nearest neighbor, the new EWHK method calculates feature weights based on information entropy. The average results of the random classification showed that the EWHK classifier for differentiating cancer from colitis samples produced a sensitivity of 81.38% and a specificity of 92.69%.

  15. Quantum Color Image Encryption Algorithm Based on A Hyper-Chaotic System and Quantum Fourier Transform

    Science.gov (United States)

    Tan, Ru-Chao; Lei, Tong; Zhao, Qing-Min; Gong, Li-Hua; Zhou, Zhi-Hong

    2016-12-01

    To improve the slow processing speed of the classical image encryption algorithms and enhance the security of the private color images, a new quantum color image encryption algorithm based on a hyper-chaotic system is proposed, in which the sequences generated by the Chen's hyper-chaotic system are scrambled and diffused with three components of the original color image. Sequentially, the quantum Fourier transform is exploited to fulfill the encryption. Numerical simulations show that the presented quantum color image encryption algorithm possesses large key space to resist illegal attacks, sensitive dependence on initial keys, uniform distribution of gray values for the encrypted image and weak correlation between two adjacent pixels in the cipher-image.

  16. Aliasless fresnel transform image reconstruction in phase scrambling fourier transform technique by data interpolation

    International Nuclear Information System (INIS)

    Yamada, Yoshifumi; Liu, Na; Ito, Satoshi

    2006-01-01

    The signal in the Fresnel transform technique corresponds to a blurred one of the spin density image. Because the amplitudes of adjacent sampled signals have a high interrelation, the signal amplitude at a point between sampled points can be estimated with a high degree of accuracy even if the sampling is so coarse as to generate aliasing in the reconstructed images. In this report, we describe a new aliasless image reconstruction technique in the phase scrambling Fourier transform (PSFT) imaging technique in which the PSFT signals are converted to Fresnel transform signals by multiplying them by a quadratic phase term and are then interpolated using polynomial expressions to generate fully encoded signals. Numerical simulation using MR images showed that almost completely aliasless images are reconstructed by this technique. Experiments using ultra-low-field PSFT MRI were conducted, and aliasless images were reconstructed from coarsely sampled PSFT signals. (author)

  17. Using Fourier transform infrared spectroscopy to evaluate biological effects induced by photodynamic therapy.

    Science.gov (United States)

    Lima, Cassio A; Goulart, Viviane P; Correa, Luciana; Zezell, Denise M

    2016-07-01

    Vibrational spectroscopic methods associated with multivariate statistical techniques have been succeeded in discriminating skin lesions from normal tissues. However, there is no study exploring the potential of these techniques to assess the alterations promoted by photodynamic effect in tissue. The present study aims to demonstrate the ability of Fourier Transform Infrared (FTIR) spectroscopy on Attenuated total reflection (ATR) sampling mode associated with principal component-linear discriminant analysis (PC-LDA) to evaluate the biochemical changes caused by photodynamic therapy (PDT) in skin neoplastic tissue. Cutaneous neoplastic lesions, precursors of squamous cell carcinoma (SCC), were chemically induced in Swiss mice and submitted to a single session of 5-aminolevulinic acid (ALA)-mediated PDT. Tissue sections with 5 μm thickness were obtained from formalin-fixed paraffin-embedded (FFPE) and processed prior to the histopathological analysis and spectroscopic measurements. Spectra were collected in mid-infrared region using a FTIR spectrometer on ATR sampling mode. Principal Component-Linear Discriminant Analysis (PC-LDA) was applied on preprocessed second derivatives spectra. Biochemical changes were assessed using PCA-loadings and accuracy of classification was obtained from PC-LDA . Sub-bands of Amide I (1,624 and 1,650 cm(-1) ) and Amide II (1,517 cm(-1) ) indicated a protein overexpression in non-treated and post-PDT neoplastic tissue compared with healthy skin, as well as a decrease in collagen fibers (1,204, 1,236, 1,282, and 1,338 cm(-1) ) and glycogen (1,028, 1,082, and 1,151 cm(-1) ) content. Photosensitized neoplastic tissue revealed shifted peak position and decreased β-sheet secondary structure of proteins (1,624 cm(-1) ) amount in comparison to non-treated neoplastic lesions. PC-LDA score plots discriminated non-treated neoplastic skin spectra from post-PDT cutaneous lesions with accuracy of 92.8%, whereas non-treated neoplastic

  18. Beyond MOS and fibers: Optical Fourier-transform Imaging Unit for Cananea Observatory (OFIUCO)

    Science.gov (United States)

    Nieto-Suárez, M. A.; Rosales-Ortega, F. F.; Castillo, E.; García, P.; Escobedo, G.; Sánchez, S. F.; González, J.; Iglesias-Páramo, J.; Mollá, M.; Chávez, M.; Bertone, E.; et al.

    2017-11-01

    Many physical processes in astronomy are still hampered by the lack of spatial and spectral resolution, and also restricted to the field-of-view (FoV) of current 2D spectroscopy instruments available worldwide. It is due to that, many of the ongoing or proposed studies are based on large-scale imaging and/or spectroscopic surveys. Under this philosophy, large aperture telescopes are dedicated to the study of intrinsically faint and/or distance objects, covering small FoVs, with high spatial resolution, while smaller telescopes are devoted to wide-field explorations. However, future astronomical surveys, should be addressed by acquiring un-biases, spatially resolved, high-quality spectroscopic information for a wide FoV. Therefore, and in order to improve the current instrumental offer in the Observatorio Astrofísico Guillermo Haro (OAGH) in Cananea, Mexico (INAOE); and to explore a possible instrument for the future Telescopio San Pedro Mártir (6.5m), we are currently integrating at INAOE an instrument prototype that will provide us with un-biased wide-field (few arcmin) spectroscopic information, and with the flexibility of operating at different spectral resolutions (R 1-20000), with a spatial resolution limited by seeing, and therefore, to be used in a wide range of astronomical problems. This instrument called OFIUCO: Optical Fourier-transform Imaging Unit for Cananea Observatory, will make use of the Fourier Transform Spectroscopic technique, which has been proved to be feasible in the optical wavelength range (350-1000 nm) with designs such as SITELLE (CFHT). We describe here the basic technical description of a Fourier transform spectrograph with important modifications from previous astronomical versions, as well as the technical advantages and weakness, and the science cases in which this instrument can be implemented.

  19. Combustion stratification study of partially premixed combustion using Fourier transform analysis of OH* chemiluminescence images

    KAUST Repository

    Izadi Najafabadi, Mohammad

    2017-11-06

    A relatively high level of stratification (qualitatively: lack of homogeneity) is one of the main advantages of partially premixed combustion over the homogeneous charge compression ignition concept. Stratification can smooth the heat release rate and improve the controllability of combustion. In order to compare stratification levels of different partially premixed combustion strategies or other combustion concepts, an objective and meaningful definition of “stratification level” is required. Such a definition is currently lacking; qualitative/quantitative definitions in the literature cannot properly distinguish various levels of stratification. The main purpose of this study is to objectively define combustion stratification (not to be confused with fuel stratification) based on high-speed OH* chemiluminescence imaging, which is assumed to provide spatial information regarding heat release. Stratification essentially being equivalent to spatial structure, we base our definition on two-dimensional Fourier transforms of photographs of OH* chemiluminescence. A light-duty optical diesel engine has been used to perform the OH* bandpass imaging on. Four experimental points are evaluated, with injection timings in the homogeneous regime as well as in the stratified partially premixed combustion regime. Two-dimensional Fourier transforms translate these chemiluminescence images into a range of spatial frequencies. The frequency information is used to define combustion stratification, using a novel normalization procedure. The results indicate that this new definition, based on Fourier analysis of OH* bandpass images, overcomes the drawbacks of previous definitions used in the literature and is a promising method to compare the level of combustion stratification between different experiments.

  20. The Kinetics of Mo(Co)6 Substitution Monitored by Fourier Transform Infrared Spectrophotometry.

    Science.gov (United States)

    Suslick, Kenneth S.; And Others

    1987-01-01

    Describes a physical chemistry experiment that uses Fourier transform (FTIR) spectrometers and microcomputers as a way of introducing students to the spectral storage and manipulation techniques associated with digitized data. It can be used to illustrate FTIR spectroscopy, simple kinetics, inorganic mechanisms, and Beer's Law. (TW)

  1. Discrimination of different red wine by Fourier-transform infrared and two-dimensional infrared correlation spectroscopy

    Science.gov (United States)

    Zhang, Yan-ling; Chen, Jian-bo; Lei, Yu; Zhou, Qun; Sun, Su-qin; Noda, Isao

    2010-06-01

    Fourier-transform infrared spectroscopy (FT-IR) and two-dimensional infrared (2D IR) correlation spectroscopy were applied to analyze main components of liquid red wine with different sugar contents and volatilization residues of dry red wine from different manufactures. The infrared spectra, second derivative spectra of dry red wine show the typical peaks of alcohol, while the spectra of sweet wine are composed of the peaks of both alcohol and sugar, and the contribution of sugar enhanced as the increase of sugar content. Using principal component analysis (PCA) method, dry and sweet wine can be readily classified. Analysis of the infrared spectra of the volatilization residues of dry red wine samples from five different manufactures indicates that dry red wine may be composed of glycerol, carboxylic acids or esters and carboxyl ate, at the same time, different dry red wine show different characteristic peaks in the second derivative spectra and 2D IR correlation spectra, which can be used to discriminate the different manufactures and evaluate the quality of wine samples. The results suggested that infrared spectroscopy is a direct and effective method for the analysis of principle components of different red wines and discrimination of different red wines.

  2. Radiometric and spectral calibrations of the Geostationary Imaging Fourier Transform Spectrometer (GIFTS) using principle component analysis

    Science.gov (United States)

    Tian, Jialin; Smith, William L.; Gazarik, Michael J.

    2008-10-01

    The ultimate remote sensing benefits of the high resolution Infrared radiance spectrometers will be realized with their geostationary satellite implementation in the form of imaging spectrometers. This will enable dynamic features of the atmosphere's thermodynamic fields and pollutant and greenhouse gas constituents to be observed for revolutionary improvements in weather forecasts and more accurate air quality and climate predictions. As an important step toward realizing this application objective, the Geostationary Imaging Fourier Transform Spectrometer (GIFTS) Engineering Demonstration Unit (EDU) was successfully developed under the NASA New Millennium Program, 2000-2006. The GIFTS-EDU instrument employs three focal plane arrays (FPAs), which gather measurements across the long-wave IR (LWIR), short/mid-wave IR (SMWIR), and visible spectral bands. The raw GIFTS interferogram measurements are radiometrically and spectrally calibrated to produce radiance spectra, which are further processed to obtain atmospheric profiles via retrieval algorithms. The radiometric calibration is achieved using internal blackbody calibration references at ambient (260 K) and hot (286 K) temperatures. The absolute radiometric performance of the instrument is affected by several factors including the FPA off-axis effect, detector/readout electronics induced nonlinearity distortions, and fore-optics offsets. The GIFTS-EDU, being the very first imaging spectrometer to use ultra-high speed electronics to readout its large area format focal plane array detectors, operating at wavelengths as large as 15 microns, possessed non-linearity's not easily removable in the initial calibration process. In this paper, we introduce a refined calibration technique that utilizes Principle Component (PC) analysis to compensate for instrument distortions and artifacts remaining after the initial radiometric calibration process, thus, further enhance the absolute calibration accuracy. This method is

  3. Depth resolved hyperspectral imaging spectrometer based on structured light illumination and Fourier transform interferometry

    Science.gov (United States)

    Choi, Heejin; Wadduwage, Dushan; Matsudaira, Paul T.; So, Peter T.C.

    2014-01-01

    A depth resolved hyperspectral imaging spectrometer can provide depth resolved imaging both in the spatial and the spectral domain. Images acquired through a standard imaging Fourier transform spectrometer do not have the depth-resolution. By post processing the spectral cubes (x, y, λ) obtained through a Sagnac interferometer under uniform illumination and structured illumination, spectrally resolved images with depth resolution can be recovered using structured light illumination algorithms such as the HiLo method. The proposed scheme is validated with in vitro specimens including fluorescent solution and fluorescent beads with known spectra. The system is further demonstrated in quantifying spectra from 3D resolved features in biological specimens. The system has demonstrated depth resolution of 1.8 μm and spectral resolution of 7 nm respectively. PMID:25360367

  4. Application of Near-Infrared and Fourier Transform Infrared Spectroscopy in the Characterization of Ligand-Induced Conformation Changes in Folate Binding Protein Purified from Bovine Milk

    DEFF Research Database (Denmark)

    Bruun, Susanne Wrang; Holm, Jan; Hansen, Steen Ingemann

    2006-01-01

    Fourier transform infrared (FT-IR) and near-infrared (NIR) spectroscopy have been applied to detect structural alterations in folate binding protein (FBP) induced by ligation in different buffer types. The amide I region pointed to a beta-sheet to alpha-helix transition upon ligation in acetate...

  5. Subwavelength Fourier-transform imaging without a lens or a beamsplitter

    International Nuclear Information System (INIS)

    Liu Rui-Feng; Yuan Xin-Xing; Fang Yi-Zhen; Zhang Pei; Zhou Yu; Gao Hong; Li Fu-Li

    2014-01-01

    The fourier-transform patterns of an object are usually observed in the far-field region or obtained in the near-field region with the help of lenses. Here we propose and experimentally demonstrate a scheme of Fourier-transform patterns in the Fresnel diffraction region with thermal light. In this scheme, neither a lens nor a beamsplitter is used, and only one single charge coupled device (CCD) is employed. It means that dividing one beam out of a light source into signal and reference beams is not as necessary as the one done by the use of a beamsplitter in usual ghost interference experiments. Moreover, the coincidence measurement of two point detectors is not necessary and data recorded on a single CCD are sufficient for reconstructing the ghost diffraction patterns. The feature of the scheme promises a great potential application in the fields of X-ray and neutron diffraction imaging processes. (electromagnetism, optics, acoustics, heat transfer, classical mechanics, and fluid dynamics)

  6. Study on Senna alata and its different extracts by Fourier transform infrared spectroscopy and two-dimensional correlation infrared spectroscopy

    Science.gov (United States)

    Adiana, M. A.; Mazura, M. P.

    2011-04-01

    Senna alata L. commonly known as candle bush belongs to the family of Fabaceae and the plant has been reported to possess anti-inflammatory, analgesic, laxative and antiplatelet-aggregating activity. In order to develop a rapid and effective analysis method for studying integrally the main constituents in the medicinal materials and their extracts, discriminating the extracts from different extraction process, comparing the categories of chemical constituents in the different extracts and monitoring the qualities of medicinal materials, we applied Fourier transform infrared spectroscopy (FT-IR) associated with second derivative infrared spectroscopy and two-dimensional infrared correlation spectroscopy (2D-IR) to study the main constituents of S. alata and its different extracts (extracted by hexane, dichloromethane, ethyl acetate and methanol in turn). The findings indicated that FT-IR and 2D-IR can provide many holistic variation rules of chemical constituents. Use of the macroscopical fingerprint characters of FT-IR and 2D-IR spectrum can identify the main chemical constituents in medicinal materials and their extracts, but also compare the components differences among similar samples. In a conclusion, FT-IR spectroscopy combined with 2D correlation analysis provides a powerful method for the quality control of traditional medicines.

  7. CO 2 Capture Capacity and Swelling Measurements of Liquid-like Nanoparticle Organic Hybrid Materials via Attenuated Total Reflectance Fourier Transform Infrared Spectroscopy

    KAUST Repository

    Park, Youngjune; Shin, Dolly; Jang, Young Nam; Park, Ah-Hyung Alissa

    2012-01-01

    attenuated total reflectance (ATR) Fourier transform infrared (FT-IR) spectroscopy. Simultaneous measurements of CO 2 capture capacity and swelling behaviors of polyetheramine (Jeffamine M-2070) and its corresponding NOHMs (NOHM-I-PE2070) were reported

  8. Application of Fourier transform-second-harmonic generation imaging to the rat cervix.

    Science.gov (United States)

    Lau, T Y; Sangha, H K; Chien, E K; McFarlin, B L; Wagoner Johnson, A J; Toussaint, K C

    2013-07-01

    We present the application of Fourier transform-second-harmonic generation (FT-SHG) imaging to evaluate the arrangement of collagen fibers in five nonpregnant rat cervices. Tissue slices from the mid-cervix and near the external orifice of the cervix were analyzed in both two-dimensions (2D) and three-dimensions (3D). We validate that the cervical microstructure can be quantitatively assessed in three dimensions using FT-SHG imaging and observe collagen fibers oriented both in and out-of-plane in the outermost and the innermost layers, which cannot be observed using 2D FT-SHG analysis alone. This approach has the potential to be a clinically applicable method for measuring progressive changes in collagen organization during cervical remodeling in humans. © 2013 The Authors Journal of Microscopy © 2013 Royal Microscopical Society.

  9. Fourier Transform Infrared Spectroscopic Studies Of Wheat In The Mid Infrared

    Science.gov (United States)

    Olinger, Jill M.; Griffiths, Peter R.

    1989-12-01

    Official grain standards of the United States state that wheat may be divided into seven classes which are: Durum, Red Durum, Hard Red Spring, Hard Red Winter, Soft Red Winter, White, and Mixed.1 Most end uses of wheat involve converting the grain into flour through one of a variety of grinding methods. The quality of wheat-based products is often very dependent upon the type or class of wheat which was used to make the flour. Pasta products, for example, are made almost exclusively from the flour of durum wheats, which are the hardest of the wheats listed above. The highest quality breads are produced using flour from wheats classed as hard, whereas cakes, cookies and pastries are considered best when flour from wheats classed as soft are used. It is obvious then that the capability of determining the class of a particular wheat, especially with respect to hardness, is of economic importance to growers, processors, and merchants of wheat and wheat products. Hardness has been measured in many different ways 2-5 but, as of yet, no one method has become the method of choice. This paper reports on the use of principal components analysis (PCA) of mid infrared diffuse reflectance (DR) spectra of diluted ground wheats to aid in the classification of those wheats with respect to their hardness. The theory and mathematics involved in a principal component analysis have been described elsewhere.9

  10. Long-distance super-resolution imaging assisted by enhanced spatial Fourier transform.

    Science.gov (United States)

    Tang, Heng-He; Liu, Pu-Kun

    2015-09-07

    A new gradient-index (GRIN) lens that can realize enhanced spatial Fourier transform (FT) over optically long distances is demonstrated. By using an anisotropic GRIN metamaterial with hyperbolic dispersion, evanescent wave in free space can be transformed into propagating wave in the metamaterial and then focused outside due to negative-refraction. Both the results based on the ray tracing and the finite element simulation show that the spatial frequency bandwidth of the spatial FT can be extended to 2.7k(0) (k(0) is the wave vector in free space). Furthermore, assisted by the enhanced spatial FT, a new long-distance (in the optical far-field region) super-resolution imaging scheme is also proposed and the super resolved capability of λ/5 (λ is the wavelength in free space) is verified. The work may provide technical support for designing new-type high-speed microscopes with long working distances.

  11. A quantitative method to detect explosives and selected semivolatiles in soil samples by Fourier transform infrared spectroscopy

    International Nuclear Information System (INIS)

    Clapper-Gowdy, M.; Dermirgian, J.; Robitaille, G.

    1995-01-01

    This paper describes a novel Fourier transform infrared (FTIR) spectroscopic method that can be used to rapidly screen soil samples from potentially hazardous waste sites. Samples are heated in a thermal desorption unit and the resultant vapors are collected and analyzed in a long-path gas cell mounted in a FTIR. Laboratory analysis of a soil sample by FTIR takes approximately 10 minutes. This method has been developed to identify and quantify microgram concentrations of explosives in soil samples and is directly applicable to the detection of selected volatile organics, semivolatile organics, and pesticides

  12. Analysis of F-Canyon Effluents During the Dissolution Cycle with a Fourier Transform Infrared Spectrometer/Multipath Cell

    International Nuclear Information System (INIS)

    Villa, E.

    1999-01-01

    Air samples from F-Canyon effluents were collected at the F-Canyon stack and transported to a laboratory at the Savannah River Technology Center (SRTC) for analysis using a Fourier transform infrared spectrometer in conjunction with a multipath cell. Air samples were collected during the decladding and acid cuts of the dissolution of the irradiated aluminum-cladded slugs. The FTIR analyses of the air samples show the presence of NO2, NO, HNO2, N2O, SF6, and 85Kr during the dissolution cycle. The concentration time profiles of these effluents corresponded with expected release rates from the F-Canyon operations

  13. Measurement of rumen dry matter and neutral detergent fiber degradability of feeds by Fourier-transform infrared spectroscopy

    DEFF Research Database (Denmark)

    Belanche, A.; Weisbjerg, Martin Riis; Allison, G.G.

    2014-01-01

    This study explored the potential of partial least squares (PLS) and Fourier-transform infrared spectroscopy (FTIR) to predict rumen dry matter (DM) and neutral detergent fiber (NDF) degradation parameters of a wide range of feeds for ruminants, as an alternative to the in situ method. In total...... components, such as cellulose, pectin, lignin, cutin, and suberin, but also with nonstructural carbohydrates and certain active compounds. In conclusion, FTIR spectroscopy could be considered a low-cost alternative to in situ measurements in feed evaluation....

  14. Miniature, Low-Power, Waveguide Based Infrared Fourier Transform Spectrometer for Spacecraft Remote Sensing

    Science.gov (United States)

    Hewagama, TIlak; Aslam, Shahid; Talabac, Stephen; Allen, John E., Jr.; Annen, John N.; Jennings, Donald E.

    2011-01-01

    Fourier transform spectrometers have a venerable heritage as flight instruments. However, obtaining an accurate spectrum exacts a penalty in instrument mass and power requirements. Recent advances in a broad class of non-scanning Fourier transform spectrometer (FTS) devices, generally called spatial heterodyne spectrometers, offer distinct advantages as flight optimized systems. We are developing a miniaturized system that employs photonics lightwave circuit principles and functions as an FTS operating in the 7-14 micrometer spectral region. The inteferogram is constructed from an ensemble of Mach-Zehnder interferometers with path length differences calibrated to mimic scan mirror sample positions of a classic Michelson type FTS. One potential long-term application of this technology in low cost planetary missions is the concept of a self-contained sensor system. We are developing a systems architecture concept for wide area in situ and remote monitoring of characteristic properties that are of scientific interest. The system will be based on wavelength- and resolution-independent spectroscopic sensors for studying atmospheric and surface chemistry, physics, and mineralogy. The self-contained sensor network is based on our concept of an Addressable Photonics Cube (APC) which has real-time flexibility and broad science applications. It is envisaged that a spatially distributed autonomous sensor web concept that integrates multiple APCs will be reactive and dynamically driven. The network is designed to respond in an event- or model-driven manner or reconfigured as needed.

  15. Adaptive ISAR Imaging of Maneuvering Targets Based on a Modified Fourier Transform.

    Science.gov (United States)

    Wang, Binbin; Xu, Shiyou; Wu, Wenzhen; Hu, Pengjiang; Chen, Zengping

    2018-04-27

    Focusing on the inverse synthetic aperture radar (ISAR) imaging of maneuvering targets, this paper presents a new imaging method which works well when the target's maneuvering is not too severe. After translational motion compensation, we describe the equivalent rotation of maneuvering targets by two variables-the relative chirp rate of the linear frequency modulated (LFM) signal and the Doppler focus shift. The first variable indicates the target's motion status, and the second one represents the possible residual error of the translational motion compensation. With them, a modified Fourier transform matrix is constructed and then used for cross-range compression. Consequently, the imaging of maneuvering is converted into a two-dimensional parameter optimization problem in which a stable and clear ISAR image is guaranteed. A gradient descent optimization scheme is employed to obtain the accurate relative chirp rate and Doppler focus shift. Moreover, we designed an efficient and robust initialization process for the gradient descent method, thus, the well-focused ISAR images of maneuvering targets can be achieved adaptively. Human intervention is not needed, and it is quite convenient for practical ISAR imaging systems. Compared to precedent imaging methods, the new method achieves better imaging quality under reasonable computational cost. Simulation results are provided to validate the effectiveness and advantages of the proposed method.

  16. A high-speed computerized tomography image reconstruction using direct two-dimensional Fourier transform method

    International Nuclear Information System (INIS)

    Niki, Noboru; Mizutani, Toshio; Takahashi, Yoshizo; Inouye, Tamon.

    1983-01-01

    The nescessity for developing real-time computerized tomography (CT) aiming at the dynamic observation of organs such as hearts has lately been advocated. It is necessary for its realization to reconstruct the images which are markedly faster than present CTs. Although various reconstructing methods have been proposed so far, the method practically employed at present is the filtered backprojection (FBP) method only, which can give high quality image reconstruction, but takes much computing time. In the past, the two-dimensional Fourier transform (TFT) method was regarded as unsuitable to practical use because the quality of images obtained was not good, in spite of the promising method for high speed reconstruction because of its less computing time. However, since it was revealed that the image quality by TFT method depended greatly on interpolation accuracy in two-dimensional Fourier space, the authors have developed a high-speed calculation algorithm that can obtain high quality images by pursuing the relationship between the image quality and the interpolation method. In this case, radial data sampling points in Fourier space are increased to β-th power of 2 times, and the linear or spline interpolation is used. Comparison of this method with the present FBP method resulted in the conclusion that the image quality is almost the same in practical image matrix, the computational time by TFT method becomes about 1/10 of FBP method, and the memory capacity also reduces by about 20 %. (Wakatsuki, Y.)

  17. Monitoring light-induced structural changes of Channelrhodopsin-2 by UV-visible and Fourier transform infrared spectroscopy.

    Science.gov (United States)

    Ritter, Eglof; Stehfest, Katja; Berndt, Andre; Hegemann, Peter; Bartl, Franz J

    2008-12-12

    Channelrhodopsin-2 (ChR2) is a microbial type rhodopsin and a light-gated cation channel that controls phototaxis in Chlamydomonas. We expressed ChR2 in COS-cells, purified it, and subsequently investigated this unusual photoreceptor by flash photolysis and UV-visible and Fourier transform infrared difference spectroscopy. Several transient photoproducts of the wild type ChR2 were identified, and their kinetics and molecular properties were compared with those of the ChR2 mutant E90Q. Based on the spectroscopic data we developed a model of the photocycle comprising six distinguishable intermediates. This photocycle shows similarities to the photocycle of the ChR2-related Channelrhodopsin of Volvox but also displays significant differences. We show that molecular changes include retinal isomerization, changes in hydrogen bonding of carboxylic acids, and large alterations of the protein backbone structure. These alterations are stronger than those observed in the photocycle of other microbial rhodopsins like bacteriorhodopsin and are related to those occurring in animal rhodopsins. UV-visible and Fourier transform infrared difference spectroscopy revealed two late intermediates with different time constants of tau = 6 and 40 s that exist during the recovery of the dark state. The carboxylic side chain of Glu(90) is involved in the slow transition. The molecular changes during the ChR2 photocycle are discussed with respect to other members of the rhodopsin family.

  18. Measurement of surface temperature and emissivity by a multitemperature method for Fourier-transform infrared spectrometers

    DEFF Research Database (Denmark)

    Clausen, Sønnik; Morgenstjerne, Axel; Rathmann, Ole

    1996-01-01

    Surface temperatures are estimated with high precision based on a multitemperature method for Fourier-transform spectrometers. The method is based on Planck's radiation law and a nonlinear least-squares fitting algorithm applied to two or more spectra at different sample temperatures and a single...... of blackbody sources are estimated with an uncertainty of 0.2-2 K. The method is demonstrated for measuring the spectral emissivity of a brass specimen and an oxidized nickel specimen. (C) 1996 Optical Society of America...... measurement at a known sample temperature, for example, at ambient temperature. The temperature of the sample surface can be measured rather easily at ambient temperature. The spectrum at ambient temperature is used to eliminate background effects from spectra as measured at other surface temperatures...

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

    Science.gov (United States)

    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.

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

    Science.gov (United States)

    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.

  1. Nanocomposites of polypropylene and organophilic clay: X ray diffraction, absorption infrared spectroscopy with fourier transform and water vapor permeation

    International Nuclear Information System (INIS)

    Morelli, Fernanda C.; Ruvolo Filho, Adhemar

    2010-01-01

    In this work nano composites were prepared from polypropylene, graft polypropylene with maleic anhydride as compatibilizer and organophilic montmorillonite Cloisite 20A with concentrations of 1.5, 2.5, 5.0 and 7.5% clay. The mixture was made in the melt state using a twin screw extruder. The materials were characterized by X ray diffraction, infrared spectroscopy with Fourier transform and analysis of water vapor permeation. The results of X ray diffraction and absorption infrared spectroscopy indicates the formation of nano composites with structures probably exfoliate and or intercalated for concentrations of 1.5 and 2.5% clay, and provided a marked decrease in the water permeability, corroborating with other analyses. (author)

  2. Nanocomposites of polypropylene and organophilic montmorillonite clay: X-ray diffraction, infrared spectroscopy with Fourier transform and water permeation

    International Nuclear Information System (INIS)

    Morelli, Fernanda C.; Ruvolo Filho, Adhemar

    2009-01-01

    In this work were prepared nanocomposites of polypropylene and organophilic montmorillonite Cloisite 20A with concentrations of 1.5%, 2.5%, 5.0% and 7.5% clay and graft polypropylene with maleic anhydride as compatibilizer. The mixture was made in the melt state using a twin screw extruder. The materials were characterized by x-ray diffraction, infrared spectroscopy with Fourier transform and analysis of water vapor permeation. The results of x-ray diffraction and infrared spectroscopy indicates the formation of nanocomposites with structures probably exfoliate and / or intercalated for concentrations of 1.5% and 2.5% clay, and provided a marked decrease in the water permeability, corroborating with other analysis. (author)

  3. Evaluation of an open-path fourier-transform infrared spectrometer for monitoring vehicle emissions over a suburban roadway intersection

    International Nuclear Information System (INIS)

    Einfield, W.

    1997-05-01

    The ability of an open-path, fourier-transform infrared spectrometer to detect vehicle exhaust emissions approximately 3 meters above the roadway surface at a busy Albuquerque suburban intersection was evaluated in this study. Multiple measurements of carbon monoxide and carbon dioxide were carried out over pathlengths up to 100 meters during the morning commute period on multiple days in the summer of 1993. The carbon monoxide to fuel carbon ratio was computed from all spectral data in order to derive a vehicle fleet average ratio. The data were determined to be normally distributed with an overall carbon monoxide-fuel carbon ratio of 0.15. The 95% confidence interval about the mean was ± 0.009. Day-to-day variation of the mean ratio was determined to be on the order of 3%. The results indicate that anticipated reductions in carbon monoxide emissions following the implementation of a winter-season oxygenated fuel program could be reliably detected with an open-path fourier transform spectrometer. The periodic use of such an instrument may offer a cost-effective means of generating a city-wide carbon monoxide emission budget for vehicles sources

  4. Image encryption based on fractal-structured phase mask in fractional Fourier transform domain

    Science.gov (United States)

    Zhao, Meng-Dan; Gao, Xu-Zhen; Pan, Yue; Zhang, Guan-Lin; Tu, Chenghou; Li, Yongnan; Wang, Hui-Tian

    2018-04-01

    We present an optical encryption approach based on the combination of fractal Fresnel lens (FFL) and fractional Fourier transform (FrFT). Our encryption approach is in fact a four-fold encryption scheme, including the random phase encoding produced by the Gerchberg–Saxton algorithm, a FFL, and two FrFTs. A FFL is composed of a Sierpinski carpet fractal plate and a Fresnel zone plate. In our encryption approach, the security is enhanced due to the more expandable key spaces and the use of FFL overcomes the alignment problem of the optical axis in optical system. Only using the perfectly matched parameters of the FFL and the FrFT, the plaintext can be recovered well. We present an image encryption algorithm that from the ciphertext we can get two original images by the FrFT with two different phase distribution keys, obtained by performing 100 iterations between the two plaintext and ciphertext, respectively. We test the sensitivity of our approach to various parameters such as the wavelength of light, the focal length of FFL, and the fractional orders of FrFT. Our approach can resist various attacks.

  5. Compositional and conformational analysis of yam proteins by near infrared fourier transform Raman spectroscopy.

    Science.gov (United States)

    Liao, Yu-Hsiu; Wang, Chih-Hsien; Tseng, Chin-Yin; Chen, Hsiu-Ling; Lin, Long-Liu; Chen, Wenlung

    2004-12-29

    Fourier transform (FT)-Raman spectroscopy was employed to study the molecular structure of yam proteins isolated from three commonly consumed yam species including Dioscorea alata L., D. alata L. var. purpurea, and Dioscorea japonica. Although D. alata L. and D. alata L. var. purpurea consisted of similar amino acid residues, they still exhibited significant differences in conformational arrangement. The secondary structure of D. alata L. was mainly an alpha-helix, while D. alata L. var. purpurea was mostly in antiparallel beta-sheets. In contrast, D. japonica, which belongs to a different species, exhibited explicit differences in amino acid compositions and molecular structures of which the conformation was a mixed form of alpha-helices and antiparallel beta-sheets. FT-Raman directly proved the existence of S-S in yam proteins, implying that oligomer formation in yam proteins might be due to disulfide linking of dioscorin (32 kDa). The microenvironment of aromatic amino acids and the state of S-S in yam proteins were also discussed.

  6. Discrete Fourier Transform-Based Multivariate Image Analysis: Application to Modeling of Aromatase Inhibitory Activity.

    Science.gov (United States)

    Barigye, Stephen J; Freitas, Matheus P; Ausina, Priscila; Zancan, Patricia; Sola-Penna, Mauro; Castillo-Garit, Juan A

    2018-02-12

    We recently generalized the formerly alignment-dependent multivariate image analysis applied to quantitative structure-activity relationships (MIA-QSAR) method through the application of the discrete Fourier transform (DFT), allowing for its application to noncongruent and structurally diverse chemical compound data sets. Here we report the first practical application of this method in the screening of molecular entities of therapeutic interest, with human aromatase inhibitory activity as the case study. We developed an ensemble classification model based on the two-dimensional (2D) DFT MIA-QSAR descriptors, with which we screened the NCI Diversity Set V (1593 compounds) and obtained 34 chemical compounds with possible aromatase inhibitory activity. These compounds were docked into the aromatase active site, and the 10 most promising compounds were selected for in vitro experimental validation. Of these compounds, 7419 (nonsteroidal) and 89 201 (steroidal) demonstrated satisfactory antiproliferative and aromatase inhibitory activities. The obtained results suggest that the 2D-DFT MIA-QSAR method may be useful in ligand-based virtual screening of new molecular entities of therapeutic utility.

  7. Cryo-EM image alignment based on nonuniform fast Fourier transform.

    Science.gov (United States)

    Yang, Zhengfan; Penczek, Pawel A

    2008-08-01

    In single particle analysis, two-dimensional (2-D) alignment is a fundamental step intended to put into register various particle projections of biological macromolecules collected at the electron microscope. The efficiency and quality of three-dimensional (3-D) structure reconstruction largely depends on the computational speed and alignment accuracy of this crucial step. In order to improve the performance of alignment, we introduce a new method that takes advantage of the highly accurate interpolation scheme based on the gridding method, a version of the nonuniform fast Fourier transform, and utilizes a multi-dimensional optimization algorithm for the refinement of the orientation parameters. Using simulated data, we demonstrate that by using less than half of the sample points and taking twice the runtime, our new 2-D alignment method achieves dramatically better alignment accuracy than that based on quadratic interpolation. We also apply our method to image to volume registration, the key step in the single particle EM structure refinement protocol. We find that in this case the accuracy of the method not only surpasses the accuracy of the commonly used real-space implementation, but results are achieved in much shorter time, making gridding-based alignment a perfect candidate for efficient structure determination in single particle analysis.

  8. Cryo-EM image alignment based on nonuniform fast Fourier transform

    International Nuclear Information System (INIS)

    Yang Zhengfan; Penczek, Pawel A.

    2008-01-01

    In single particle analysis, two-dimensional (2-D) alignment is a fundamental step intended to put into register various particle projections of biological macromolecules collected at the electron microscope. The efficiency and quality of three-dimensional (3-D) structure reconstruction largely depends on the computational speed and alignment accuracy of this crucial step. In order to improve the performance of alignment, we introduce a new method that takes advantage of the highly accurate interpolation scheme based on the gridding method, a version of the nonuniform fast Fourier transform, and utilizes a multi-dimensional optimization algorithm for the refinement of the orientation parameters. Using simulated data, we demonstrate that by using less than half of the sample points and taking twice the runtime, our new 2-D alignment method achieves dramatically better alignment accuracy than that based on quadratic interpolation. We also apply our method to image to volume registration, the key step in the single particle EM structure refinement protocol. We find that in this case the accuracy of the method not only surpasses the accuracy of the commonly used real-space implementation, but results are achieved in much shorter time, making gridding-based alignment a perfect candidate for efficient structure determination in single particle analysis

  9. ORBS: A data reduction software for the imaging Fourier transform spectrometers SpIOMM and SITELLE

    Science.gov (United States)

    Martin, T.; Drissen, L.; Joncas, G.

    2012-09-01

    SpIOMM (Spectromètre-Imageur de l'Observatoire du Mont Mégantic) is still the only operational astronomical Imaging Fourier Transform Spectrometer (IFTS) capable of obtaining the visible spectrum of every source of light in a field of view of 12 arc-minutes. Even if it has been designed to work with both outputs of the Michelson interferometer, up to now only one output has been used. Here we present ORBS (Outils de Réduction Binoculaire pour SpIOMM/SITELLE), the reduction software we designed in order to take advantage of the two output data. ORBS will also be used to reduce the data of SITELLE (Spectromètre-Imageur pour l' Étude en Long et en Large des raies d' Émissions) { the direct successor of SpIOMM, which will be in operation at the Canada-France- Hawaii Telescope (CFHT) in early 2013. SITELLE will deliver larger data cubes than SpIOMM (up to 2 cubes of 34 Go each). We thus have made a strong effort in optimizing its performance efficiency in terms of speed and memory usage in order to ensure the best compliance with the quality characteristics discussed with the CFHT team. As a result ORBS is now capable of reducing 68 Go of data in less than 20 hours using only 5 Go of random-access memory (RAM).

  10. HIGH-RESOLUTION FOURIER TRANSFORM SPECTROSCOPY OF LANTHANUM IN Ar DISCHARGE IN THE NEAR-INFRARED

    Energy Technology Data Exchange (ETDEWEB)

    Güzelçimen, F.; Başar, Gö. [Faculty of Science, Physics Department, Istanbul University, Tr-34134 Vezneciler, Istanbul (Turkey); Tamanis, M.; Kruzins, A.; Ferber, R. [Laser Centre, The University of Latvia, Rainis Boulevard 19, LV-1586 Riga (Latvia); Windholz, L. [Institut für Experimentalphysik, Technische Universität Graz, A-8010 Graz, Petersgasse 16 (Austria); Kröger, S., E-mail: gbasar@istanbul.edu.tr, E-mail: sophie.kroeger@htw-berlin.de [Hochschule für Technik und Wirtschaft Berlin, Wilhelminenhofstr. 75A, D-12459 Berlin (Germany)

    2013-10-01

    A high-resolution spectrum of lanthanum has been recorded by a Fourier Transform spectrometer in the wavelength range from 833 nm to 1666 nm (6000 cm{sup –1} to 12,000 cm{sup –1}) using as light source a hollow cathode lamp operated with argon as the discharge carrier gas. In total, 2386 spectral lines were detected in this region, of which 555 lines could be classified as La I transitions and 10 lines as La II transitions. All La II transitions and 534 of these La I transitions were classified for the first time, and 6 of the La II transitions and 433 of the classified La I transitions appear to be new lines, which could not be found in the literature. The corresponding energy level data of classified lines are given. Additionally, 430 lines are assigned as Ar I lines and 394 as Ar II lines, of which 179 and 77, respectively, were classified for the first time. All 77 classified Ar II transitions as well as 159 of the classified Ar I transitions are new lines. Furthermore, the wavenumbers of 997 unclassified spectral lines were determined, 235 of which could be assigned as La lines, because of their hyperfine pattern. The remaining 762 lines may be either unclassified Ar lines or unresolved and unclassified La lines with only one symmetrical peak with an FWHM in the same order of magnitude as the Ar lines. The accuracy of the wavenumber for the classified lines with signal-to-noise-ratio higher than four is better than 0.006 cm{sup –1} which corresponds to an accuracy of 0.0004 nm at 830 nm and 0.0017 nm at 1660 nm, respectively.

  11. A method to correct sampling ghosts in historic near-infrared Fourier transform spectrometer (FTS) measurements

    Science.gov (United States)

    Dohe, S.; Sherlock, V.; Hase, F.; Gisi, M.; Robinson, J.; Sepúlveda, E.; Schneider, M.; Blumenstock, T.

    2013-08-01

    The Total Carbon Column Observing Network (TCCON) has been established to provide ground-based remote sensing measurements of the column-averaged dry air mole fractions (DMF) of key greenhouse gases. To ensure network-wide consistency, biases between Fourier transform spectrometers at different sites have to be well controlled. Errors in interferogram sampling can introduce significant biases in retrievals. In this study we investigate a two-step scheme to correct these errors. In the first step the laser sampling error (LSE) is estimated by determining the sampling shift which minimises the magnitude of the signal intensity in selected, fully absorbed regions of the solar spectrum. The LSE is estimated for every day with measurements which meet certain selection criteria to derive the site-specific time series of the LSEs. In the second step, this sequence of LSEs is used to resample all the interferograms acquired at the site, and hence correct the sampling errors. Measurements acquired at the Izaña and Lauder TCCON sites are used to demonstrate the method. At both sites the sampling error histories show changes in LSE due to instrument interventions (e.g. realignment). Estimated LSEs are in good agreement with sampling errors inferred from the ratio of primary and ghost spectral signatures in optically bandpass-limited tungsten lamp spectra acquired at Lauder. The original time series of Xair and XCO2 (XY: column-averaged DMF of the target gas Y) at both sites show discrepancies of 0.2-0.5% due to changes in the LSE associated with instrument interventions or changes in the measurement sample rate. After resampling, discrepancies are reduced to 0.1% or less at Lauder and 0.2% at Izaña. In the latter case, coincident changes in interferometer alignment may also have contributed to the residual difference. In the future the proposed method will be used to correct historical spectra at all TCCON sites.

  12. A method to correct sampling ghosts in historic near-infrared Fourier transform spectrometer (FTS measurements

    Directory of Open Access Journals (Sweden)

    S. Dohe

    2013-08-01

    Full Text Available The Total Carbon Column Observing Network (TCCON has been established to provide ground-based remote sensing measurements of the column-averaged dry air mole fractions (DMF of key greenhouse gases. To ensure network-wide consistency, biases between Fourier transform spectrometers at different sites have to be well controlled. Errors in interferogram sampling can introduce significant biases in retrievals. In this study we investigate a two-step scheme to correct these errors. In the first step the laser sampling error (LSE is estimated by determining the sampling shift which minimises the magnitude of the signal intensity in selected, fully absorbed regions of the solar spectrum. The LSE is estimated for every day with measurements which meet certain selection criteria to derive the site-specific time series of the LSEs. In the second step, this sequence of LSEs is used to resample all the interferograms acquired at the site, and hence correct the sampling errors. Measurements acquired at the Izaña and Lauder TCCON sites are used to demonstrate the method. At both sites the sampling error histories show changes in LSE due to instrument interventions (e.g. realignment. Estimated LSEs are in good agreement with sampling errors inferred from the ratio of primary and ghost spectral signatures in optically bandpass-limited tungsten lamp spectra acquired at Lauder. The original time series of Xair and XCO2 (XY: column-averaged DMF of the target gas Y at both sites show discrepancies of 0.2–0.5% due to changes in the LSE associated with instrument interventions or changes in the measurement sample rate. After resampling, discrepancies are reduced to 0.1% or less at Lauder and 0.2% at Izaña. In the latter case, coincident changes in interferometer alignment may also have contributed to the residual difference. In the future the proposed method will be used to correct historical spectra at all TCCON sites.

  13. Study of the gamma radiation effect on lincomycin by two techniques thermal analysis and fourier transform infrared (FTIR)

    International Nuclear Information System (INIS)

    Al-Zier, A.; Al-Kassiri, H.; Al Aji, Z.

    1999-02-01

    Sample of Lincomycin were irradiated by means of gamma radiation ( 60 Co) at dose rate ca. (408 kGy/h) in the range (3, 5, 15, 20)kGy in presence of air. Samples were investigated using two techniques: Thermal analysis (Differential Scanning Calorimetry (DSC) and Thermogravimetry (TG)) and Fourier Transform Infrared (FTIR). DSC purity study, which depends on Vant Hof equation, showed that the purity of Lincomycin reduced by means of gamma radiation. The purity of theses samples decreased by increasing the dose, and the purity of lincomycin was still above (99%) at dose (10 kGy). To follow up this effects, (FTIR) spectrums of these sample were recorded before and after irradiation. The two peaks at (1500 - 1750 Cm -1 ) which belong to amide group, and the peak at (1050 - 1100 Cm -1 ) which belongs to the S-C groups have reduced. (author)

  14. Study of the gamma radiation effect on the lincomycin by two techniques thermal analysis and fourier transform infrared (FTIR)

    International Nuclear Information System (INIS)

    Al-Zier, A.; Al-Kassiri, H.

    1999-01-01

    Sample of Lincomycin were irradiated by means of gamma radiation ( 60 Co) at dose rate ca. (408 kGy/h) in the range (3, 5, 15, 20)kGy in presence of air. Samples were investigated using two techniques: Thermal analysis (Differential Scanning Calorimetry (DSC) and Thermogravimetry (TG)) and Fourier Transform Infrared (FTIR). DSC purity study, which depends on Vant Hof equation, showed that the purity of Lincomycin reduced by means of gamma radiation. The purity of theses samples decreased by increasing the dose, and the purity of lincomycin was still above (99%) at dose (10 kGy). To follow up this effects, (FTIR) spectrums of these sample were recorded before and after irradiation. The two peaks at (1500 - 1750 Cm -1 ) which belong to amide group, and the peak at (1050 - 1100 Cm -1 ) which belongs to the S-C groups have reduced. (author)

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

    Science.gov (United States)

    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.

  16. Fourier transform infrared spectral detection of life in polar subsurface environments and its application to Mars exploration.

    Science.gov (United States)

    Preston, Louisa J; Johnson, Diane; Cockell, Charles S; Grady, Monica M

    2015-09-01

    Cryptoendolithic lichen communities of the Dry Valleys, Antarctica, survive in an extremely inhospitable environment, finding refuge in microscopic niches where conditions suitable for life exist. Such "within-rock" communities may have evolved on Mars when conditions for life on the surface deteriorated to such an extent that they could no longer survive. Fourier transform infrared spectroscopy of unprepared whole-rock Antarctic Beacon sandstones was used to vertically profile molecular vibrations of fatty acids, proteins, and carboxylic acids created by endolithic communities. Spectral biosignatures were found localized to lichen-rich areas and were absent in crustal regions and the bulk rock substrate. These cryptoendolithic profiles will aid similar spectroscopic investigations of organic biosignatures during future Martian subsurface studies and will help in the identification of similar communities in other localities across the Earth.

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

    Science.gov (United States)

    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.

  18. The use of Fourier-transform infrared spectroscopy for the quantitative determination of glucose concentration in whole blood

    International Nuclear Information System (INIS)

    Shen, Y C; Davies, A G; Linfield, E H; Elsey, T S; Taday, P F; Arnone, D D

    2003-01-01

    Fourier-transform infrared transmission spectroscopy has been used for the determination of glucose concentration in whole blood samples from 28 patients. A 4-vector partial least-squares calibration model, using the spectral range 950-1200 cm -1 , yielded a standard-error-of-prediction of 0.59 mM for an independent test set. For blood samples from a single patient, we found that the glucose concentration was proportional to the difference between the values of the second derivative spectrum at 1082 cm -1 and 1093 cm -1 . This indicates that spectroscopy at these two specific wavenumbers alone could be used to determine the glucose concentration in blood plasma samples from a single patient, with a prediction error of 0.95 mM

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

    Science.gov (United States)

    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.

  20. Pre-processing of Fourier transform infrared spectra by means of multivariate analysis implemented in the R environment.

    Science.gov (United States)

    Banas, Krzysztof; Banas, Agnieszka; Gajda, Mariusz; Pawlicki, Bohdan; Kwiatek, Wojciech M; Breese, Mark B H

    2015-04-21

    Pre-processing of Fourier transform infrared (FTIR) spectra is typically the first and crucial step in data analysis. Very often hyperspectral datasets include the regions characterized by the spectra of very low intensity, for example two-dimensional (2D) maps where the areas with only support materials (like mylar foil) are present. In that case segmentation of the complete dataset is required before subsequent evaluation. The method proposed in this contribution is based on a multivariate approach (hierarchical cluster analysis), and shows its superiority when compared to the standard method of cutting-off by using only the mean spectral intensity. Both techniques were implemented and their performance was tested in the R statistical environment - open-source platform - that is a favourable solution if the repeatability and transparency are the key aspects.

  1. Use of Fourier transformed infrared spectrophotometer (FTIR) for determination of breastmilk output by the deuterium dilution method among Senegalese women

    International Nuclear Information System (INIS)

    Sarr Cisse, Aita; Diaham, Babou; Dossou, Nicole; Guiro, Amadou Tidiane; Wade, Salimata; Bluck, Leslie

    2002-01-01

    Breastmilk output can be estimated from the mother's total body water and water turnover rates after oral administration of deuterium oxide. Usually the deuterium enrichments are determined using a isotope ratio mass spectrometer, which is expensive and requires a specialist for operation and maintenance. Such equipment is dfficult to set up in developing countries. A less expensive method was developed which uses a Fourier transform infrared spectrophotometer (FTIR) for deuterium enrichment analysis. This study evaluated the constraints of using FTIR to study lactating women in Senegal. The deuterium isotope method was found to be adequate for free living subjects and presented few constraints except for the duration of the saliva sampling (14 days). The method offers the opportunity to determine simultaneously breastmilk output, mother's body composition, and breastfeeding practices. Deuterium sample enrichments measured with FTIR were fast and easy, but for spectrum quality some environmental control is required to optimize the results. (Authors)

  2. Identification of Spectral Regions for Quantification of Red Wine Tannins with Fourier Transform Mid-Infrared Spectroscopy

    DEFF Research Database (Denmark)

    Jensen, Jacob Skibsted; Egebo, Max; Meyer, Anne S.

    2008-01-01

    Accomplishment of fast tannin measurements is receiving increased interest as tannins are important for the mouthfeel and color properties of red wines. Fourier transform mid-infrared spectroscopy allows fast measurement of different wine components, but quantification of tannins is difficult due...... to interferences from spectral responses of other wine components. Four different variable selection tools were investigated for the identification of the most important spectral regions which would allow quantification of tannins from the spectra using partial least-squares regression. The study included...... to be particularly important for tannin quantification. The spectral regions identified from the variable selection methods were used to develop calibration models. All four variable selection methods identified regions that allowed an improved quantitative prediction of tannins (RMSEP = 69−79 mg of CE/L; r = 0...

  3. Discrimination between Bacillus and Alicyclobacillus isolates in apple juice by Fourier transform infrared spectroscopy and multivariate analysis.

    Science.gov (United States)

    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®

  4. [Relationship between PMI and fourier transform infrared spectral changes in muscle of rats after death caused by mechanical asphyxial].

    Science.gov (United States)

    Li, Shi-ying; Shao, Yu; Li, Zheng-dong; Liu, Ning-guo; Zou, Dong-hua; Qin, Zhi-qiang; Chen, Yi-jiu; Huang, Ping

    2012-06-01

    To observe the postmortem degradation process in rat myocardium and skeletal muscle using Fourier transform infrared (FTIR) spectroscopy and to provide a new method for estimating postmortem interval (PMI). Left ventricle and skeletal muscles of rats dying of mechanical asphyxiated were sampled at different PMIs. The changes of different chemical functional group in the myocardium and skeletal muscle samples were measured by FTIR spectroscopy. The different absorbance (A) ratios of peaks were calculated and the curve estimation analysis between absorbance ratios (x) and PMI (y) were performed to establish six mathematical models. FTIR spectral absorption peak of rat myocardium and skeletal muscle showed three changes: increase, decrease and stable. The cubic model function showed the strongest correlation coefficient. The A1080/A1396 ratio of skeletal muscle showed the strongest correlation coefficient (r = 0.832) with more accurate determination of PMI. FYIR spectroscopy can be potentially used as an effective method for estimating PMI in forensic practice using myocardium and skeletal muscle.

  5. Qualitative analysis of thin films of crude oil deposits on the metallic substrate by Fourier transform infrared (FTIR) microscopy

    DEFF Research Database (Denmark)

    Batina, N.; Reyna-Cordova, A.; Trinidad-Reyes, Y.

    2005-01-01

    Thin films of crude oil samples were prepared for atomic force microscopy (AFM) analysis on the gold substrate. Sample preparation involved evaporation during a long (24 h) but mild thermal exposure (80 °C). Fourier transform infrared (FTIR) microscopy (reflectance spectroscopy) was employed...... of oxidation state was compared to surface morphology data by AFM previously reported. The reported results emphasize the advantage of complementary techniques (AFM/FTIR microscopy) in the analysis of petroleum thin films that should be considered during analysis and interpretation of this type of data....... to determinate the quality of the thin film surface, before the morphology characterization. The surface reflectance spectra were compared to direct transmittance FTIR of liquid oil samples. The two FTIR techniques showed different spectral characteristics related to oxygenated functionalities. This clearly...

  6. Chlorococcalean microalgae Ankistrodesmus convolutes biodiesel characterization with Fourier transform-infrared spectroscopy and gas chromatography mass spectroscopy techniques

    Directory of Open Access Journals (Sweden)

    Swati SONAWANE

    2015-12-01

    Full Text Available The Chlorococcalean microalgae Ankistrodesmus convolutes was found in fresh water Godawari reservoir, Ahmednagar district of Maharashtra State, India. Microalgae are modern biomass for the production of liquid biofuel due to its high solar cultivation efficiency. The collection, harvesting and drying processes were play vital role in converting algal biomass into energy liquid fuel. The oil extraction was the important step for the biodiesel synthesis. The fatty acid methyl ester (FAME synthesis was carried through base catalyzed transesterification method. The product was analyzed by using the hyphened techniques like Fourier Transform-Infrared spectroscopy (FT-IR and Gas Chromatography Mass Spectroscopy (GCMS. FT-IR Spectroscopy was results the ester as functional group of obtained product while the Gas Chromatography Mass Spectroscopy was results the six type of fatty acid methyl ester with different concentration. Ankistrodesmus convolutes biodiesel consist of 46.5% saturated and 49.14% unsaturated FAME.

  7. Identification of a Methane Oxidation Intermediate on Solid Oxide Fuel Cell Anode Surfaces with Fourier Transform Infrared Emission.

    Science.gov (United States)

    Pomfret, Michael B; Steinhurst, Daniel A; Owrutsky, Jeffrey C

    2013-04-18

    Fuel interactions on solid oxide fuel cell (SOFC) anodes are studied with in situ Fourier transform infrared emission spectroscopy (FTIRES). SOFCs are operated at 800 °C with CH4 as a representative hydrocarbon fuel. IR signatures of gas-phase oxidation products, CO2(g) and CO(g), are observed while cells are under load. A broad feature at 2295 cm(-1) is assigned to CO2 adsorbed on Ni as a CH4 oxidation intermediate during cell operation and while carbon deposits are electrochemically oxidized after CH4 operation. Electrochemical control provides confirmation of the assignment of adsorbed CO2. FTIRES has been demonstrated as a viable technique for the identification of fuel oxidation intermediates and products in working SOFCs, allowing for the elucidation of the mechanisms of fuel chemistry.

  8. Fourier transform-infrared spectroscopy as a diagnostic tool for mosquito coil smoke inhalation toxicity in Swiss Albino mice

    Science.gov (United States)

    Anusha, Chidambaram; Sankar, Renu; Varunkumar, Krishnamoorthy; Sivasindhuja, Gnanasambantham; Ravikumar, Vilwanathan

    2017-12-01

    The goal of this study is to establish Fourier transform-infrared (FTIR) spectroscopy as a diagnostic tool for allethrin-based mosquito coil smoke inhalation induced toxicity in mice. Primarily, we confirmed mosquito coil smoke inhalation toxicity in mice via reduced the body, organ weight and major vital organ tissue morphological structure changes. Furthermore, FTIR spectra was collected from control and mosquito coil smoke inhalation (8 h per day for 30 days) mice various tissues like liver, kidney, lung, heart and brain, to investigate the functional groups and their corresponding biochemical content variations. The FTIR spectra result shown major bio macromolecules such as protein and lipid functional peaks were shifted (decreased) in the mosquito coil smoke inhalation group as compared to control. The drastic peak shift was noticed in the liver, kidney followed by lung and brain. It is therefore concluded that the FTIR spectroscopy can be a successful detection tool in mosquito coil smoke inhalation toxicity.

  9. Dataset of Fourier transform-infrared coupled with chemometric analysis used to distinguish accessions of Garcinia mangostana L. in Peninsular Malaysia

    Directory of Open Access Journals (Sweden)

    Sri A’jilah Samsir

    2016-09-01

    Full Text Available In this dataset, we distinguish 15 accessions of Garcinia mangostana from Peninsular Malaysia using Fourier transform-infrared spectroscopy coupled with chemometric analysis. We found that the position and intensity of characteristic peaks at 3600–3100 cm−1 in IR spectra allowed discrimination of G. mangostana from different locations. Further principal component analysis (PCA of all the accessions suggests the two main clusters were formed: samples from Johor, Melaka, and Negeri Sembilan (South were clustered together in one group while samples from Perak, Kedah, Penang, Selangor, Kelantan, and Terengganu (North and East Coast were in another clustered group. Keywords: Apomictic, Mangosteen, Fourier Transformed-Infrared, Peninsular Malaysia

  10. Loading of halloysite nanotubes with BSA, α-Lac and β-Lg: a Fourier transform infrared spectroscopic and thermogravimetric study

    Science.gov (United States)

    Duce, Celia; Della Porta, Valentina; Bramanti, Emilia; Campanella, Beatrice; Spepi, Alessio; Tiné, Maria Rosaria

    2017-02-01

    Halloysite nanotubes (HNTs) are considered as ideal materials for biotechnological and medical applications. An important feature of halloysite is that it has a different surface chemistry on the inner and outer sides of the tubes. This property means that negatively-charged molecules can be selectively loaded inside the halloysite nanoscale its lumen. Loaded HNTs can be used for the controlled or sustained release of proteins, drugs, bioactive molecules and other agents. We studied the interaction between HNTs and bovine serum albumin, α lactalbumin and β -lactoglobulin loaded into HTNs using Fourier transform infrared spectroscopy and thermogravimetry. These techniques enabled us to study the protein conformation and thermal stability, respectively, and to estimate the amount of protein loaded into the HNTs. TEM images confirmed the loading of proteins into HTNs.

  11. Loading of halloysite nanotubes with BSA, α-Lac and β-Lg: a Fourier transform infrared spectroscopic and thermogravimetric study.

    Science.gov (United States)

    Duce, Celia; Della Porta, Valentina; Bramanti, Emilia; Campanella, Beatrice; Spepi, Alessio; Tiné, Maria Rosaria

    2017-02-03

    Halloysite nanotubes (HNTs) are considered as ideal materials for biotechnological and medical applications. An important feature of halloysite is that it has a different surface chemistry on the inner and outer sides of the tubes. This property means that negatively-charged molecules can be selectively loaded inside the halloysite nanoscale its lumen. Loaded HNTs can be used for the controlled or sustained release of proteins, drugs, bioactive molecules and other agents. We studied the interaction between HNTs and bovine serum albumin, α lactalbumin and β -lactoglobulin loaded into HTNs using Fourier transform infrared spectroscopy and thermogravimetry. These techniques enabled us to study the protein conformation and thermal stability, respectively, and to estimate the amount of protein loaded into the HNTs. TEM images confirmed the loading of proteins into HTNs.

  12. Fourier Transform Infrared (FTIR) Spectroscopy, Ultraviolet Resonance Raman (UVRR) Spectroscopy, and Atomic Force Microscopy (AFM) for Study of the Kinetics of Formation and Structural Characterization of Tau Fibrils.

    Science.gov (United States)

    Ramachandran, Gayathri

    2017-01-01

    Kinetic studies of tau fibril formation in vitro most commonly employ spectroscopic probes such as thioflavinT fluorescence and laser light scattering or negative stain transmission electron microscopy. Here, I describe the use of Fourier transform infrared (FTIR) spectroscopy, ultraviolet resonance Raman (UVRR) spectroscopy, and atomic force microscopy (AFM) as complementary probes for studies of tau aggregation. The sensitivity of vibrational spectroscopic techniques (FTIR and UVRR) to secondary structure content allows for measurement of conformational changes that occur when the intrinsically disordered protein tau transforms into cross-β-core containing fibrils. AFM imaging serves as a gentle probe of structures populated over the time course of tau fibrillization. Together, these assays help further elucidate the structural and mechanistic complexity inherent in tau fibril formation.

  13. Optical Bench Breadboard Of An Imaging Fourier Transform Spectrometer (iFTS) For Climate Observations.

    Science.gov (United States)

    Singh, G.; McElroy, C. T.; Vaziri, Z.; Barton, D.; Blair, G.; Grandmont, F. J.

    2017-12-01

    The fifth assessment report (AR5) of the Intergovernmental Panel on Climate Change (IPCC) states that the warming of zonal mean surface temperature at higher latitudes exceeds the global average temperature change. This poses a great problem as the warming leads to the thawing of the permafrost in the Arctic region that acts as an envelope to trap greenhouse gases such as carbon dioxide and methane. Therefore, there is an urgent need to develop scientific instruments that can be flown in space over the Arctic to provide atmospheric information to quantify the evolution and transport of these gases. The Laboratory for Atmospheric Remote Sounding from Space (LARSS) at York University is developing an imaging Fourier transform spectrometer (IFTS) for climate observations by atmospheric sounding. The spectrometer has two individual channels, one centred at 1650 nm to measure the atmospheric column of carbon dioxide and methane, and another centred at 762 nm to measure the temperature-pressure profile by making measurements of the O2A band. A Commercial-Off-The-Shelf (COTS) modulator has been purchased from ABB Inc. of Quebec City. Interferometers are widely used in many scientific laboratories to measure concentrations of different constituents in a given sample. The performance of these instruments is highly dependent on environmental effects and various properties of the input beam such as coherence, polarity, etc. Thus, the use of such instruments to measure atmospheric concentration is complicated and challenging. The immediate goal of this project is to develop an IFTS system which can measure backscattered radiation in a laboratory environment and develop design elements that will make it operable in the space environment. Progress on the project and information concerning some of the issues listed above will be discussed. The developments which flow from this research project will support efforts by Environment and Climate Change Canada, the Canadian Space

  14. Rapid Detection of Pesticide Residues in Chinese Herbal Medicines by Fourier Transform Infrared Spectroscopy Coupled with Partial Least Squares Regression

    Directory of Open Access Journals (Sweden)

    Tianming Yang

    2016-01-01

    Full Text Available This paper reports a simple, rapid, and effective method for simultaneous detection of cartap (Ca, thiocyclam (Th, and tebufenozide (Te in Chinese herbal medicines including Radix Angelicae Dahuricae and Liquorices using Fourier transform infrared spectroscopy (FT-IR coupled with partial least squares regression (PLSR. The proposed method can handle the intrinsic interferences of herbal samples; satisfactory average recoveries attained from near-infrared (NIR and mid-infrared (MIR PLSR models were 99.0±10.8 and 100.2±1.0% for Ca, 100.2±6.9 and 99.7±2.5% for Th, and 99.1±6.3 and 99.6±1.0% for Te, respectively. Furthermore, some statistical parameters and figures of merit are fully investigated to evaluate the performance of the two models. It was found that both models could give accurate results and only the performance of MIR-PLSR was slightly better than that of NIR-PLSR in the cases suffering from herbal matrix interferences. In conclusion, FT-IR spectroscopy in combination with PLSR has been demonstrated for its application in rapid screening and quantitative analysis of multipesticide residues in Chinese herbal medicines without physical or chemical separation pretreatment step and any spectral processing, which also implies other potential applications such as food and drug safety, herbal plants quality, and environmental evaluation, due to its advantages of nontoxic and nondestructive analysis.

  15. Study on Angelica and its different extracts by Fourier transform infrared spectroscopy and two-dimensional correlation IR spectroscopy

    Science.gov (United States)

    Liu, Hong-xia; Sun, Su-qin; Lv, Guang-hua; Chan, Kelvin K. C.

    2006-05-01

    In order to develop a rapid and effective analysis method for studying integrally the main constituents in the medicinal materials and their extracts, discriminating the extracts from different extraction process, comparing the categories of chemical constituents in the different extracts and monitoring the qualities of medicinal materials, we applied Fourier transform infrared spectroscopy (FT-IR) associated with second derivative infrared spectroscopy and two-dimensional correlation infrared spectroscopy (2D-IR) to study the main constituents in traditional Chinese medicine Angelica and its different extracts (extracted by petroleum ether, ethanol and water in turn). The findings indicated that FT-IR spectrum can provide many holistic variation rules of chemical constituents. Use of the macroscopical fingerprint characters of FT-IR and 2D-IR spectrum can not only identify the main chemical constituents in medicinal materials and their different extracts, but also compare the components differences among the similar samples. This analytical method is highly rapid, effective, visual and accurate for pharmaceutical research.

  16. Fourier transform infrared macro-imaging of botanical cotton trash

    Science.gov (United States)

    The marketability of cotton fiber is directly tied to the trash comingled with it. Trash can contaminate cotton during harvesting, ginning, and processing. Thus, the removal of trash is important from field to fabric. An ideal prerequisite to removing trash from lint is identifying what trash types...

  17. Fourier transform infrared imaging of Cotton trash mixtures

    Science.gov (United States)

    There is much interest in the identification of trash types comingled with cotton lint. A good understanding of the specific trash types present can lead to the fabrication of new equipment which can identify and sort cotton trash found with cotton fiber. Conventional methods, including the High Vo...

  18. Quantitative structural analysis of lignin by diffuse reflectance fourier transform infrared spectrometry

    International Nuclear Information System (INIS)

    Schultz, T.P.; Glasser, W.G.

    1986-01-01

    Empirical quantitative relationships were established between infrared (IR) spectral information and several structural features in lignins as determined by conventional methods. The structural composition of average phenylpropane (C g ) units which significantly correlated (0.01 level) with IR peak intensities included methoxy content, aromatic hydrogen content, phenolic hydroxy content, guaiacyl/syringyl ratio, and ''hydrolysis'' and ''condensation'' ratios

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

    Science.gov (United States)

    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...

  20. Application of Fourier transform infrared-photoacoustic spectroscopy for the characterisation of organic wastes and determination of their usefulness for bioenergy and as soil amendments

    DEFF Research Database (Denmark)

    Bekiaris, Georgios

    of this project was the development of less time-consuming and inexpensive techniques that can partially replace laboratory assays in the determination the usefulness of organic wastes. In this project the potential of a relatively new spectroscopic technique, i.e. Fourier transform infrared photoacoustic...

  1. Evaluation of flaA short variable region sequencing, multilocus sequence typing and Fourier transform infrared spectroscopy for discrimination between Campylobacter jejuni strains

    DEFF Research Database (Denmark)

    Josefsen, Mathilde Hartmann; Bonnichsen, Lise; Larsson, Jonas T.

    2012-01-01

    and Fourier transform infrared (FTIR) spectroscopy were applied on a collection of 102 epidemiologically related and unrelated Campylobacter jejuni strains. Previous application of FTIR spectroscopy for subtyping of Campylobacter has been limited. A subset of isolates, initially discriminated by flaA SVR...

  2. Diffuse Reflectance Infrared Fourier Transform Study of NOx Adsorption on CGO10 Impregnated with K2O or BaO

    DEFF Research Database (Denmark)

    Traulsen, Marie Lund; Härelind Ingelsten, H.; Kammer Hansen, Kent

    2012-01-01

    In the present work Diffuse Reflectance Infrared Fourier Transform (DRIFT) spectroscopy is applied to study the adsorption of NOx at 300-500 °C in different atmospheres on gadolinium doped ceria (CGO), an important material in electrodes investigated for electrochemical NOx removal. Furthermore...

  3. 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

    Science.gov (United States)

    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...

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

    Science.gov (United States)

    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...

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

    Science.gov (United States)

    Pezzolo, Alessandra De Lorenzi

    2011-01-01

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

  6. Fourier transform infrared photoacoustic spectroscopy study of physicochemical interaction between human dentin and etch-&-rinse adhesives in a simulated moist bond technique

    DEFF Research Database (Denmark)

    Ubaldini, Adriana L M; Baesso, Mauro L; Sehn, Elizandra

    2012-01-01

    systems: (a) 2-hydroxyethylmethacrylate (HEMA) and 4-methacryloxyethyl trimellitate anhydrate (4-META), and (b) HEMA. The Fourier transform infrared photoacoustic spectroscopy was performed before and after dentin treatment with 37% phosphoric acid, with adhesive systems and also for the adhesive systems...

  7. Classification and structural analysis of live and dead salmonella cells using fourier transform infrared (FT-IR) spectroscopy and principle component analysis (PCA)

    Science.gov (United States)

    Fourier Transform Infrared Spectroscopy (FT-IR) was used to detect Salmonella typhimurium and Salmonella enteritidis foodborne bacteria and distinguish between live and dead cells of both serotypes. Bacteria were loaded individually on the ZnSe Attenuated Total Reflection (ATR) crystal surface and s...

  8. Prospective pilot study to detect dogs with non food-induced canine atopic dermatitis using Fourier transform infrared spectroscopy.

    Science.gov (United States)

    Bruet, Vincent; Dumon, Henri; Bourdeau, Patrick; Desfontis, Jean-Claude; Martin, Lucile

    2016-10-01

    The diagnosis of canine atopic dermatitis (CAD) remains challenging due to the lack of a simple biomarker or metabolic profile. In human medicine, Fourier transform infrared spectroscopy (FTIR) is an analytical technique used for several diseases. It requires a small amount of sample and allows the identification of structural moieties of biomolecules on the basis of their infrared absorption, with limited sample pretreatment. The aim of the study was to evaluate the diagnostic value of FTIR. Three groups were tested: 21 dogs with non food-induced CAD (NFICAD), 16 dogs with inflammatory conditions of various origins but without allergic dermatoses (OD) and 10 healthy dogs (H). Peripheral blood was collected and spectra were acquired with a FTIR spectrophotometer. A principal component analysis (PCA) was performed on the full wavenumber spectra (4000-600/cm), followed by a Fisher discriminant analysis (DA) to assess the differences between the three groups. The PCA followed by the DA of whole spectra showed significant differences between the three groups. These results suggest that by using the FTIR method, dogs with NFICAD can be differentiated from healthy dogs and dogs with nonallergic inflammation. There was no overlap between the spectral data of the three groups indicating that NFICAD dogs were correctly segregated from the H and OD groups. A study on a larger cohort including common pruritic skin diseases is necessary to confirm these initial results and the relevance of this diagnostic technique. © 2016 ESVD and ACVD.

  9. Identification of Pulmonary Edema in Forensic Autopsy Cases of Sudden Cardiac Death Using Fourier Transform Infrared Microspectroscopy: A Pilot Study.

    Science.gov (United States)

    Lin, Hancheng; Luo, Yiwen; Sun, Qiran; Zhang, Ji; Tuo, Ya; Zhang, Zhong; Wang, Lei; Deng, Kaifei; Chen, Yijiu; Huang, Ping; Wang, Zhenyuan

    2018-02-20

    Many studies have proven the usefulness of biofluid-based infrared spectroscopy in the clinical domain for diagnosis and monitoring the progression of diseases. Here we present a state-of-the-art study in the forensic field that employed Fourier transform infrared microspectroscopy for postmortem diagnosis of sudden cardiac death (SCD) by in situ biochemical investigation of alveolar edema fluid in lung tissue sections. The results of amide-related spectral absorbance analysis demonstrated that the pulmonary edema fluid of the SCD group was richer in protein components than that of the neurologic catastrophe (NC) and lethal multiple injuries (LMI) groups. The complementary results of unsupervised principle component analysis (PCA) and genetic algorithm-guided partial least-squares discriminant analysis (GA-PLS-DA) further indicated different global spectral band patterns of pulmonary edema fluids between these three groups. Ultimately, a random forest (RF) classification model for postmortem diagnosis of SCD was built and achieved good sensitivity and specificity scores of 97.3% and 95.5%, respectively. Classification predictions of unknown pulmonary edema fluid collected from 16 cases were also performed by the model, resulting in 100% correct discrimination. This pilot study demonstrates that FTIR microspectroscopy in combination with chemometrics has the potential to be an effective aid for postmortem diagnosis of SCD.

  10. Fiber-optic Fourier transform infrared spectroscopy for remote label-free sensing of medical device surface contamination

    Science.gov (United States)

    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.

  11. Ultraviolet/visible and Fourier transform infrared spectroscopic investigations of organic–inorganic hybrid layers for UV protection

    Energy Technology Data Exchange (ETDEWEB)

    Präfke, Christiane, E-mail: christiane.praefke@iof.fraunhofer.de [Fraunhofer Institute of Applied Optics and Precision Engineering, Optical Coatings Department, Albert-Einstein-Straße 7, 07745 Jena (Germany); Institute of Applied Physics, Abbe Center of Photonics, Friedrich-Schiller-Universität Jena (Germany); Schulz, Ulrike, E-mail: ulrike.schulz@iof.fraunhofer.de [Fraunhofer Institute of Applied Optics and Precision Engineering, Optical Coatings Department, Albert-Einstein-Straße 7, 07745 Jena (Germany); Kaiser, Norbert, E-mail: norbert.kaiser@iof.fraunhofer.de [Fraunhofer Institute of Applied Optics and Precision Engineering, Optical Coatings Department, Albert-Einstein-Straße 7, 07745 Jena (Germany); Tünnermann, Andreas, E-mail: andreas.tuennermann@iof.fraunhofer.de [Fraunhofer Institute of Applied Optics and Precision Engineering, Optical Coatings Department, Albert-Einstein-Straße 7, 07745 Jena (Germany); Institute of Applied Physics, Abbe Center of Photonics, Friedrich-Schiller-Universität Jena (Germany)

    2013-04-01

    A study of vacuum-deposited organic–inorganic hybrid coatings for ultraviolet (UV) protection of polycarbonate is presented. For this purpose, UV-absorbing organic molecules were embedded in a silica matrix by thermal co-evaporation. Typical UV absorbers, namely a benzotriazole, a hydroxyphenyltriazine, and a cyanoacrylate, were used as organic materials. The hybrid layers were investigated by means of ultraviolet/visible (UV/VIS) and Fourier transform infrared spectroscopy (FTIR) concerning their UV/VIS absorption properties and the influence of the silica network on the organic molecules. The porosity and silica–organic interactions are discussed with reference to the infrared spectra. UV irradiation experiments were carried out to demonstrate the UV protection ability of the hybrid layers. Hybrid layers containing the hydroxyphenyltriazine compound showed the best results. - Highlights: ► Vacuum deposited organic–inorganic UV protective coatings for polycarbonate ► Thermal co-evaporation of organic UV absorbing compounds with silica ► Matrix materials and the absorber concentration influence the absorption behavior. ► The coatings on PC show improved UV stability under artificial irradiation. ► The hydroxyphenyltriazine–silica layer shows best UV protection results.

  12. Synchrotron radiation-based Fourier-transform infrared spectromicroscopy for characterization of the protein/peptide distribution in single microspheres

    Directory of Open Access Journals (Sweden)

    Manli Wang

    2015-05-01

    Full Text Available The present study establishes a visualization method for the measurement of the distribution and localization of protein/peptide constituents within a single poly-lactide-co-glycolide (PLGA microsphere using synchrotron radiation–based Fourier-transform infrared spectromicroscopy (SR-FTIR. The representative infrared wavenumbers specific for protein/peptide (Exenatide and excipient (PLGA were identified and chemical maps at the single microsphere level were generated by measuring and plotting the intensity of these specific bands. For quantitative analysis of the distribution within microspheres, Matlab software was used to transform the map file into a 3D matrix and the matrix values specific for the drug and excipient were extracted. Comparison of the normalized SR-FTIR maps of PLGA and Exenatide indicated that PLGA was uniformly distributed, while Exenatide was relatively non-uniformly distributed in the microspheres. In conclusion, SR-FTIR is a rapid, nondestructive and sensitive detection technology to provide the distribution of chemical constituents and functional groups in microparticles and microspheres.

  13. Fourier transform infrared (FTIR) fiber optic monitoring of composites during cure in an autoclave

    Science.gov (United States)

    Druy, Mark A.; Elandjian, Lucy; Stevenson, William A.; Driver, Richard D.; Leskowitz, Garett M.

    1990-01-01

    Real-time in situ monitoring of the chemical states of epoxy resins was investigated during cure in an autoclave using infrared evanescent spectroscopy. Fiber evanescent sensors were developed which may be sandwiched between the plies of the prepreg sample. A short length of sapphire fiber was used as the sensor cell portion of the fiber probe. Heavy metal fluoride glass optical fiber cables were designed for connecting the FTIR spectrometer to the sensor fiber within the autoclave. The sapphire fibers have outstanding mechanical thermal properties which should permit their use as an embedded link in all thermoset composites. The system is capable of operation at a temperature of 250 C for periods up to 8 hours without major changes to the fiber transmission. A discussion of the selection of suitable sensor fibers, the construction of a fiber-optic interface, and the interpretation of in situ infrared spectra of the curing process is presented.

  14. Diffuse reflectance infrared Fourier-Transform spectra of selected organic compounds

    Energy Technology Data Exchange (ETDEWEB)

    Harmon, S.H.; Caton, J.E.

    1982-05-01

    Diffuse reflectance infrared spectra of a variety of different organic compounds have been determined. Profiles of the spectra along with the location and relative intensity of the principal bands have been included for each compound studied. In addition both diffuse reflectance and transmittance infrared spectra were obtained for the same samples, and the spectral results were compared. Although some minor variations are observed between a diffuse reflectance spectrum and the corresponding transmittance spectrum, the diffuse reflectance is quite useful and may be a superior technique for the study of many samples because it possesses an inherently higher signal-to-noise response, requires less sample preparation and allows a very wide range of samples (solids, liquids of low volatility, neat sample, or sample diluted in a reflecting medium) to be studied under very similar conditions.

  15. Fast Imaging Detector Readout Circuits with In-Pixel ADCs for Fourier Transform Imaging Spectrometers

    Science.gov (United States)

    Rider, D.; Blavier, J-F.; Cunningham, T.; Hancock, B.; Key, R.; Pannell, Z.; Sander, S.; Seshadri, S.; Sun, C.; Wrigley, C.

    2011-01-01

    Focal plane arrays (FPAs) with high frame rates and many pixels benefit several upcoming Earth science missions including GEO-CAPE, GACM, and ACE by enabling broader spatial coverage and higher spectral resolution. FPAs for the PanFTS, a high spatial resolution Fourier transform spectrometer and a candidate instrument for the GEO-CAPE mission are the focus of the developments reported here, but this FPA technology has the potential to enable a variety of future measurements and instruments. The ESTO ACT Program funded the developed of a fast readout integrated circuit (ROIC) based on an innovative in-pixel analog-to-digital converter (ADC). The 128 X 128 pixel ROIC features 60 ?m pixels, a 14-bit ADC in each pixel and operates at a continuous frame rate of 14 kHz consuming only 1.1 W of power. The ROIC outputs digitized data completely eliminating the bulky, power consuming signal chains needed by conventional FPAs. The 128 X 128 pixel ROIC has been fabricated in CMOS and tested at the Jet Propulsion Laboratory. The current version is designed to be hybridized with PIN photodiode arrays via indium bump bonding for light detection in the visible and ultraviolet spectral regions. However, the ROIC design incorporates a small photodiode in each cell to permit detailed characterization of the ROICperformance without the need for hybridization. We will describe the essential features of the ROIC design and present results of ROIC performance measurements.

  16. Fourier transform infrared studies of the N2-O2 binary system

    International Nuclear Information System (INIS)

    Minenko, M.; Jodi, H.-J.

    2006-01-01

    Solid solutions (N 2 ) x (O 2 ) 1-x have been investigated by infrared absorption measurements mainly in the O 2 and N 2 stretching regions, between 60-10 K, completing former similar studies by Raman scattering. We produced thermodynamically stable samples by a careful thermal treatment, followed by cooling/heating cycles over weeks, during which we took spectra. From fingerprints in the infrared spectra we deduce phase-transition and solubility lines and suggest a refined, improved T-x % phase diagram in respect to the inconsistencies between those in the literature. The spectra of N 2 -O 2 mixtures are pretty complex, but by referring to known spectra of the pure systems N 2 or O 2 we were able to assign and interpret broad (∼100 cm - 1 ) phonon side bands to fundamentals and an electronic transition (O 2 ), depending on actual temperature and concentration. Narrow features in the spectra ( -1 ) were attributed to the vibron DOS of N 2 or O 2 , whose bandwidth, band shape, and intensity are different and characteristic for each phase. Differences between pure and mixed systems are pointed out. The matrix isolation technique (2 ppm of CO) was used to probe our mixture

  17. Research on fast Fourier transforms algorithm of huge remote sensing image technology with GPU and partitioning technology.

    Science.gov (United States)

    Yang, Xue; Li, Xue-You; Li, Jia-Guo; Ma, Jun; Zhang, Li; Yang, Jan; Du, Quan-Ye

    2014-02-01

    Fast Fourier transforms (FFT) is a basic approach to remote sensing image processing. With the improvement of capacity of remote sensing image capture with the features of hyperspectrum, high spatial resolution and high temporal resolution, how to use FFT technology to efficiently process huge remote sensing image becomes the critical step and research hot spot of current image processing technology. FFT algorithm, one of the basic algorithms of image processing, can be used for stripe noise removal, image compression, image registration, etc. in processing remote sensing image. CUFFT function library is the FFT algorithm library based on CPU and FFTW. FFTW is a FFT algorithm developed based on CPU in PC platform, and is currently the fastest CPU based FFT algorithm function library. However there is a common problem that once the available memory or memory is less than the capacity of image, there will be out of memory or memory overflow when using the above two methods to realize image FFT arithmetic. To address this problem, a CPU and partitioning technology based Huge Remote Fast Fourier Transform (HRFFT) algorithm is proposed in this paper. By improving the FFT algorithm in CUFFT function library, the problem of out of memory and memory overflow is solved. Moreover, this method is proved rational by experiment combined with the CCD image of HJ-1A satellite. When applied to practical image processing, it improves effect of the image processing, speeds up the processing, which saves the time of computation and achieves sound result.

  18. Identifying constituents in commercial gasoline using Fourier transform-infrared spectroscopy and independent component analysis.

    Science.gov (United States)

    Pasadakis, Nikos; Kardamakis, Andreas A

    2006-09-25

    A new method is proposed that enables the identification of five refinery fractions present in commercial gasoline mixtures using infrared spectroscopic analysis. The data analysis and interpretation was carried out based on independent component analysis (ICA) and spectral similarity techniques. The FT-IR spectra of the gasoline constituents were determined using the ICA method, exclusively based on the spectra of their mixtures as a blind separation procedure, i.e. assuming unknown the spectra of the constituents. The identity of the constituents was subsequently determined using similarity measures commonly employed in spectra library searches against the spectra of the constituent components. The high correlation scores that were obtained in the identification of the constituents indicates that the developed method can be employed as a rapid and effective tool in quality control, fingerprinting or forensic applications, where gasoline constituents are suspected.

  19. Quick detection and quantification of iron-cyanide complexes using fourier transform infrared spectroscopy

    International Nuclear Information System (INIS)

    Sut-Lohmann, Magdalena; Raab, Thomas

    2017-01-01

    The continuous release of persistent iron-cyanide (Fe-CN) complexes from various industrial sources poses a high hazard to the environment and indicates the necessity to analyze a considerable amount of samples. Conventional flow injection analysis (FIA) is a time and cost consuming method for cyanide (CN) determination. Thus, a rapid and economic alternative needs to be developed to quantify the Fe-CN complexes. 52 soil samples were collected at a former Manufactured Gas Plant (MGP) site in order to determine the feasibility of diffuse reflectance infrared Fourier spectroscopy (DRIFTS). Soil analysis revealed CN concentrations in a range from 8 to 14.809 mg kg −1 , where 97% was in the solid form (Fe 4 [Fe(CN) 6 ] 3 ), which is characterized by a single symmetrical CN band in the range 2092–2084 cm −1 . The partial least squares (PLS) calibration-validation model revealed IR response to CN tot which exceeds 2306 mg kg −1 (limit of detection, LOD). Leave-one-out cross-validation (LOO-CV) was performed on soil samples, which contained low CN tot (<900 mg kg −1 ). This improved the sensitivity of the model by reducing the LOD to 154 mg kg −1 . Finally, the LOO-CV conducted on the samples with CN tot  > 900 mg kg −1 resulted in LOD equal to 3751 mg kg −1 . It was found that FTIR spectroscopy provides the information concerning different CN species in the soil samples. Additionally, it is suitable for quantifying Fe-CN species in matrixes with CN tot  > 154 mg kg −1 . Thus, FTIR spectroscopy, in combination with the statistical approach applied here seems to be a feasible and quick method for screening of contaminated sites. - Highlights: • A protocol for a quick and cheap quantitative cyanide analysis in soil using FTIR is proposed. • Splitting of the data, resulting in low and high CN set, reduced the LOD and increased the sensitivity of the model. • Regression coefficients indicate positive response of IR frequencies to

  20. [Study on Different Parts of Wild and Cultivated Gentiana Rigescens with Fourier Transform Infrared Spectroscopy].

    Science.gov (United States)

    Shen, Yun-xia; Zhao, Yan-li; Zhang, Ji; Zuo, Zhi-tian; Wang, Yuan-zhong; Zhang, Qing-zhi

    2016-03-01

    The application of traditional Chinese medicine (TCM) and their preparations have a long history. With the deepening of the research, the market demand is increasing. However, wild resources are so limited that it can not meet the needs of the market. The development of wild and cultivated samples and research on accumulation dynamics of chemical component are of great significance. In order to compare composition difference of different parts (root, stem, and leaf) of wild and cultivated G. rigescens, Fourier infrared spectroscopy (FTIR) and second derivative spectra were used to analyze and evaluate. The second derivative spectra of 60 samples and the rate of affinity (the match values) were measured automatically using the appropriate software (Omnic 8.0). The results showed that the various parts of wild and cultivated G. rigescens. were high similar the peaks at 1732, 1 643, 1 613, 1 510, 1 417, 1 366, 1 322, 1 070 cm(-1) were the characteristic peak of esters, terpenoids and saccharides, respectively. Moreover, the shape and peak intensity were more distinct in the second derivative spectrum of samples. In the second derivative spectrum range of 1 800-600 cm(-1), the fingerprint characteristic peak of samples and gentiopicroside standards were 1 679, 1 613, 1 466, 1 272, 1 204, 1 103, 1 074, 985, 935 cm(-1). The characteristic peak intensity of gentiopicroside of roots of wild and cultivated samples at 1 613 cm(-1) (C-C) was higher than stems and leaves which indicated the higher content of gentiopicroside in root than in stem and leaves. Stems of wild samples at 1 521, 1 462 and 1 452 cm(-1) are the skeletal vibration peak of benzene ring of lignin, and the stem of cultivated sample have stronger peak than other samples which showed that rich lignin in stems. The iInfrared spectrum of samples were similar with the average spectral of root of wild samples, and significant difference was found for the correlation between second derivative spectrum of samples

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

    Science.gov (United States)

    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.

  2. Fourier transform infrared spectroscopy of azide and cyanate ion pairs in AOT reverse micelles

    Science.gov (United States)

    Owrutsky, Jeffrey C.; Pomfret, Michael B.; Barton, David J.; Kidwell, David A.

    2008-07-01

    Evidence for ion pair formation in aqueous bis(2-ethylhexyl) sulfosuccinate (AOT) reverse micelles (RMs) was obtained from infrared spectra of azide and cyanate with Li+, Na+, K+, and NH4+ counterions. The anions' antisymmetric stretching bands near 2000 cm-1 are shifted to higher frequency (blueshifted) in LiAOT and to a lesser extent in NaAOT, but they are very similar to those in bulk water with K+ and NH4+ as the counterions. The shifts are largest for low values of wo=[water]/[AOT] and approach the bulk value with increasing wo. The blueshifts are attributed to ion pairing between the anions and the counterions. This interpretation is reinforced by the similar trend (Li+>Na+>K+) for producing contact ion pairs with the metal cations in bulk dimethyl sulfoxide (DMSO) solutions. We find no evidence of ion pairs being formed in NH4AOT RMs, whereas ammonium does form ion pairs with azide and cyanate in bulk DMSO. Studies are also reported for the anions in formamide-containing AOT RMs, in which blueshifts and ion pair formation are observed more than in the aqueous RMs. Ion pairs are preferentially formed in confined RM systems, consistent with the well established ideas that RMs exhibit reduced polarity and a disrupted hydrogen bonding network compared to bulk water and that ion-specific effects are involved in mediating the structure of species at interfaces.

  3. Application of Fourier transform infrared ellipsometry to assess the concentration of biological molecules

    Science.gov (United States)

    Garcia-Caurel, Enric; Drevillon, Bernard; De Martino, Antonello; Schwartz, Laurent

    2002-12-01

    Spectroscopic ellipsometry is a noninvasive optical characterization technique mainly used in the semiconductor field to characterize bare substrates and thin films. In particular, it allows the gathering of information concerning the physical structure of the sample, such as roughness and film thickness, as well as its optical response. In the mid-infrared (IR) range each molecule exhibits a characteristic absorption fingerprint, which makes this technique chemically selective. Phase-modulated IR ellipsometry does not require a baseline correction procedure or suppression of atmospheric CO2 and water-vapor absorption bands, thus greatly reducing the subjectivity in data analysis. We have found that ellipsometric measurements of thin films, such as the solid residuals left on a plane surface after evaporation of a liquid drop containing a given compound in solution, are particularly favorable for dosing purposes because the intensity of IR absorptions shows a linear behavior along a wide range of solution concentrations of the given compound. Our aim is to illustrate with a concrete example and to justify theoretically the linearity experimentally found between radiation absorption and molecule concentration. For the example, we prepared aqueous solutions of glycogen, a molecule of huge biological importance currently tested in biochemical analyses, at concentrations ranging from 1 mg/l to 1 g/l, which correspond to those found in physiological conditions. The results of this example are promising for the application of ellipsometry for dosing purposes in biochemistry and biomedicine.

  4. Lithium-ion battery electrolyte emissions analyzed by coupled thermogravimetric/Fourier-transform infrared spectroscopy

    Science.gov (United States)

    Bertilsson, Simon; Larsson, Fredrik; Furlani, Maurizio; Albinsson, Ingvar; Mellander, Bengt-Erik

    2017-10-01

    In the last few years the use of Li-ion batteries has increased rapidly, powering small as well as large applications, from electronic devices to power storage facilities. The Li-ion battery has, however, several safety issues regarding occasional overheating and subsequent thermal runaway. During such episodes, gas emissions from the electrolyte are of special concern because of their toxicity, flammability and the risk for gas explosion. In this work, the emissions from heated typical electrolyte components as well as from commonly used electrolytes are characterized using FT-IR spectroscopy and FT-IR coupled with thermogravimetric (TG) analysis, when heating up to 650 °C. The study includes the solvents EC, PC, DEC, DMC and EA in various single, binary and ternary mixtures with and without the LiPF6 salt, a commercially available electrolyte, (LP71), containing EC, DEC, DMC and LiPF6 as well as extracted electrolyte from a commercial 6.8 Ah Li-ion cell. Upon thermal heating, emissions of organic compounds and of the toxic decomposition products hydrogen fluoride (HF) and phosphoryl fluoride (POF3) were detected. The electrolyte and its components have also been extensively analyzed by means of infrared spectroscopy for identification purposes.

  5. Identification of syrup type using fourier transform-near infrared spectroscopy with multivariate classification methods

    Directory of Open Access Journals (Sweden)

    Ravipat Lapcharoensuk

    2018-03-01

    Full Text Available This research aimed to establish near infrared (NIR spectroscopy models for identification of syrup types in which the maple syrup was discriminated from other syrup types. Thirty syrup types were used in this research; the NIR spectra of each type were recorded with 10 replicates. The repeatability and reproducibility of NIR scanning were performed, and the absorbance at 6940cm−1 was used for calculation. Principal component analysis was used to group the syrup type. Identification models were developed by soft independent modeling by class analogy (SIMCA and partial least-squares discriminant analysis (PLS-DA. The SIMCA models of all syrup types exhibited accuracy percentage of 93.3–100% for identifying syrup types, whereas maple syrup discrimination models showed percentage of accuracy between 83.2% and 100%. The PLS-DA technique gave the accuracy of syrup types classification between 96.6% and 100% and presented ability on discrimination of maple syrup form other types of syrup with accuracy of 100%. The finding presented the potential of NIR spectroscopy for the syrup type identification.

  6. Fourier transform infrared microspectroscopy identifies early lineage commitment in differentiating human embryonic stem cells.

    Science.gov (United States)

    Heraud, Philip; Ng, Elizabeth S; Caine, Sally; Yu, Qing C; Hirst, Claire; Mayberry, Robyn; Bruce, Amanda; Wood, Bayden R; McNaughton, Don; Stanley, Edouard G; Elefanty, Andrew G

    2010-03-01

    Human ESCs (hESCs) are a valuable tool for the study of early human development and represent a source of normal differentiated cells for pharmaceutical and biotechnology applications and ultimately for cell replacement therapies. For all applications, it will be necessary to develop assays to validate the efficacy of hESC differentiation. We explored the capacity for FTIR spectroscopy, a technique that rapidly characterises cellular macromolecular composition, to discriminate mesendoderm or ectoderm committed cells from undifferentiated hESCs. Distinct infrared spectroscopic "signatures" readily distinguished hESCs from these early differentiated progeny, with bioinformatic models able to correctly classify over 97% of spectra. These data identify a role for FTIR spectroscopy as a new modality to complement conventional analyses of hESCs and their derivatives. FTIR spectroscopy has the potential to provide low-cost, automatable measurements for the quality control of stem and differentiated cells to be used in industry and regenerative medicine. Crown Copyright 2009. Published by Elsevier B.V. All rights reserved.

  7. Study of Kerogen Maturity using Transmission Fourier Transform Infrared Spectroscopy (FTIR)

    Science.gov (United States)

    Dang, S. T.

    2014-12-01

    Maturity of kerogen in shale governs the productivity and generation hydrocarbon type. There are generally two accepted methods to measure kerogen maturity; one is the measurement of vitrinite reflectance, %Ro, and another is the measurement of Tmax through pyrolysis. However, each of these techniques has its own limits; vitrinite reflectance measurement cannot be applied to marine shale and pre-Silurian shales, which lack plant materials. Furthermore, %Ro, requires the isolation and identification of vitrinite macerals and statistical measurements of at least 50 macerals. Tmax measurement is questionable for mature and post-mature samples. In addition, there are questions involving the effects of solvents on Tmax determinations. Fourier Transmission Infrared Spectroscopy, FTIR, can be applied for both qualitative and quantitative assessment on organics maturity in shale. The technique does not require separating organic matter or identifying macerals. A CH2/CH3 index, RCH, calculated from FTIR spectra is more objective than other measurements. The index increases with maturity (both natural maturation and synthetic maturation through hydrous and dry pyrolysis). The new maturity index RCH can be calibrated to vitrinite reflectance which allows the definition of the following values for levels of maturity: 1) immature—RCH > 1.6±0.2; 2) oil window-- 1.6±0.2 1.3±0.3; 3) wet gas window--1.3±0.3 1.13±0.05; and 4) dry gas window RCH < 1.13±0.05.

  8. Improvements in image quality with pseudo-parallel imaging in the phase-scrambling fourier transform technique

    International Nuclear Information System (INIS)

    Ito, Satoshi; Kawawa, Yasuhiro; Yamada, Yoshifumi

    2010-01-01

    The signal obtained in the phase-scrambling Fourier transform (PSFT) imaging technique can be transformed to the signal described by the Fresnel transform of the objects, in which the amplitude of the PSFT presents some kind of blurred image of the objects. Therefore, the signal can be considered to exist in the object domain as well as the Fourier domain of the object. This notable feature makes it possible to assign weights to the reconstructed images by applying a weighting function to the PSFT signal after data acquisition, and as a result, pseudo-parallel image reconstruction using these aliased image data with different weights on the images is feasible. In this study, the improvements in image quality with such pseudo-parallel imaging were examined and demonstrated. The weighting function of the PSFT signal that provides a given weight on the image is estimated using the obtained image data and is iteratively updated after sensitivity encoding (SENSE)-based image reconstruction. Simulation studies showed that reconstruction errors were dramatically reduced and that the spatial resolution was also improved in almost all image spaces. The proposed method was applied to signals synthesized from MR image data with phase variations to verify its effectiveness. It was found that the image quality was improved and that images almost entirely free of aliasing artifacts could be obtained. (author)

  9. Investigation of adulteration of sunflower oil with thermally deteriorated oil using Fourier transform mid-infrared spectroscopy and chemometrics

    Directory of Open Access Journals (Sweden)

    Joana Vilela

    2015-12-01

    Full Text Available Fourier transform infrared spectroscopy based on attenuated total reflectance sampling technique, combined with multivariate analysis methods was used to monitor the adulteration of pure sunflower oil (SO with thermally deteriorated oil (TDO. Contrary to published research, in this work, SO was thermally deteriorated in the absence of foodstuff. SO samples were exposed to temperatures between 125 and 225°C from 6 to 24 h. Quantification of adulteration of SO with TDO, based on principal components regression (PCR, partial least squares regression (PLS-R, and linear discriminant analysis (LDA applied to mid-infrared spectra and to their first and second derivatives is reported for the first time. Infrared frequencies associated with the biochemical differences between TDO samples deteriorated in different conditions were investigated by principal component analysis (PCA. LDA was effective in the twofold classification presence/absence of TDO in adulterated SO (with 5% V/V of less of TDO. It provided 93.7% correct classification for the calibration set and 91.3% correct classification when cross-validated. A detection limit of 1% V/V of TDO in SO was determined. Investigation of an external set of samples allowed the evaluation of the predictability of the models. The regression coefficient (R2 for prediction was 0.95 and 0.96 and the RMSE was 2.1 and 1.9% V/V when using the PCR or PLS-R models, respectively, and the first derivative of spectra. To the best of our knowledge, no investigation of adulteration of SO with TDO based on PCR, PLS-R, and LDA has been reported so far.

  10. Differentiation of frog fats from vegetable and marine oils by Fourier Transform Infrared Spectroscopy and chemometric analysis

    Directory of Open Access Journals (Sweden)

    A. N. Nina Naquiah

    2015-01-01

    Full Text Available The agro-based production and consumption of frogs coupled with world-wide trading have been increased in the recent years giving rise to the risk of frog fat adulteration in expensive vegetable and marine oils. For the first time, we profiled here frog fats using Fourier Transform Infrared (FTIR Spectroscopy coupled with multivariate principal component analysis (PCA. The comparison of the FTIR spectral absorbance intensities demonstrated linkage of frog fats to other edible fats and oils. Three commercially available marine oils and three vegetables oils were studied with frog fats and clear pattern of clusters with distinctive identifiable features were obtained through PCA modeling. PCA analysis identified 2922.21 cm-1, 2852.88 cm-1, 1745.45 cm-1, 1158.29 cm-1 and 721.51 cm-1 FTIR-frequencies as the most discriminating variables influencing the group separation into different clusters. This fundamental study has clear implications in the identification of frog fat from its marine and vegetable counterparts for the potential detection of frog fat adulteration in various fat and oils.

  11. Detection of Lard in Ink Extracted from Printed Food Packaging Using Fourier Transform Infrared Spectroscopy and Multivariate Analysis

    Directory of Open Access Journals (Sweden)

    Syazwani Ramli

    2015-01-01

    Full Text Available Fourier transform infrared (FTIR spectroscopy combined with chemometrics was utilised to discriminate the presence of lard in extracted ink of printed food packaging. Two spectral regions (full spectra, 3999–649 cm−1, and combination of two regions, 3110–2630 cm−1 and 1940–649 cm−1 of lard, commercial gravure ink, and the blends of both were selected and used to develop a Soft Independent Modelling of Class Analogy (SIMCA model. The score plots obtained from the Principal Component Analysis (PCA revealed that the maximum number of factors (7 factors was needed to explain 84% of the total variance. SIMCA was employed as the method to classify the samples into their specific groups. Si versus Hi plots showed that the calibration standards can be classified as lard-containing standards. Sample 2 was deduced to have the highest possibility of containing lard, while only samples 5 and 7 cannot be classified as lard-containing samples. These results demonstrated that FTIR spectroscopy, when combined with multivariate analysis, can provide a rapid method with no excessive sample preparation to detect the presence of lard in ink of foodstuff packaging.

  12. Probing specific molecular processes and intermediates by time-resolved Fourier transform infrared spectroscopy: application to the bacteriorhodopsin photocycle.

    Science.gov (United States)

    Lórenz-Fonfría, Víctor A; Kandori, Hideki; Padrós, Esteve

    2011-06-23

    We present a general approach for probing the kinetics of specific molecular processes in proteins by time-resolved Fourier transform infrared (IR) spectroscopy. Using bacteriorhodopsin (bR) as a model we demonstrate that by appropriately monitoring some selected IR bands it is possible obtaining the kinetics of the most important events occurring in the photocycle, namely changes in the chromophore and the protein backbone conformation, and changes in the protonation state of the key residues implicated in the proton transfers. Besides confirming widely accepted views of the bR photocycle, our analysis also sheds light into some disputed issues: the degree of retinal torsion in the L intermediate to respect the ground state; the possibility of a proton transfer from Asp85 to Asp212; the relationship between the protonation/deprotonation of Asp85 and the proton release complex; and the timing of the protein backbone dynamics. By providing a direct way to estimate the kinetics of photocycle intermediates the present approach opens new prospects for a robust quantitative kinetic analysis of the bR photocycle, which could also benefit the study of other proteins involved in photosynthesis, in phototaxis, or in respiratory chains.

  13. Mineral to matrix ratio determines biomaterial and biomechanical properties of rat femur--application of Fourier transform infrared spectroscopy.

    Science.gov (United States)

    Takata, Shinjiro; Yonezu, Hiroshi; Shibata, Akira; Enishi, Tetsuya; Sato, Nori; Takahashi, Mitsuhiko; Nakao, Shigetaka; Komatsu, Koji; Yasui, Natsuo

    2011-08-01

    We studied the changes of biomaterial and biomechanical properties of the rat femur during development. Thirty male Wistar rats were allocated to 6 groups: aged 6 weeks (n=5), 9 weeks (n=5), 12 weeks (n=5), 15 weeks (n=5), 24 weeks (n=5), and 36 weeks (n=5). The mineral to matrix ratio (M/M ratio) of rat femur by Fourier transform infrared spectroscopy was 0.97 ± 0.10 at the age of 6 weeks, and reached the maximum of 1.52 ± 0.17 at the age of 36 weeks. Total bone mineral density (BMD) by peripheral quantitative computed tomography of the femoral shaft aged 6 weeks was 479.1 ± 58.7 mg/cm(3), and reached the maximum of 1022.2 ± 42.3 mg/cm(3) at the age of 36 weeks. The ultimate load to failure of the femur of the rat aged 6 weeks by the three-point bending test was 29.6 ± 6.1 N. At the age of 36 weeks, the ultimate load to failure of the rat femur increased to the maximum of 283.5 ± 14.7 N. The results showed that the M/M ratio increased with development as total BMD and bone strength increased. The results suggest that the M/M ratio is one of the determinants of the biomaterial and biomechanical properties of bone.

  14. Fourier transform infrared spectroscopy combined with chemometrics for discrimination of Curcuma longa, Curcuma xanthorrhiza and Zingiber cassumunar.

    Science.gov (United States)

    Rohaeti, Eti; Rafi, Mohamad; Syafitri, Utami Dyah; Heryanto, Rudi

    2015-02-25

    Turmeric (Curcuma longa), java turmeric (Curcuma xanthorrhiza) and cassumunar ginger (Zingiber cassumunar) are widely used in traditional Indonesian medicines (jamu). They have similar color for their rhizome and possess some similar uses, so it is possible to substitute one for the other. The identification and discrimination of these closely-related plants is a crucial task to ensure the quality of the raw materials. Therefore, an analytical method which is rapid, simple and accurate for discriminating these species using Fourier transform infrared spectroscopy (FTIR) combined with some chemometrics methods was developed. FTIR spectra were acquired in the mid-IR region (4000-400 cm(-1)). Standard normal variate, first and second order derivative spectra were compared for the spectral data. Principal component analysis (PCA) and canonical variate analysis (CVA) were used for the classification of the three species. Samples could be discriminated by visual analysis of the FTIR spectra by using their marker bands. Discrimination of the three species was also possible through the combination of the pre-processed FTIR spectra with PCA and CVA, in which CVA gave clearer discrimination. Subsequently, the developed method could be used for the identification and discrimination of the three closely-related plant species. Copyright © 2014 Elsevier B.V. All rights reserved.

  15. Verification of Ganoderma (lingzhi) commercial products by Fourier Transform infrared spectroscopy and two-dimensional IR correlation spectroscopy

    Science.gov (United States)

    Choong, Yew-Keong; Sun, Su-Qin; Zhou, Qun; Lan, Jin; Lee, Han-Lim; Chen, Xiang-Dong

    2014-07-01

    Ganoderma commercial products are typically based on two sources, raw material (powder form and/or spores) and extract (water and/or solvent). This study compared three types of Ganoderma commercial products using 1 Dimensional Fourier Transform infrared and second derivative spectroscopy. The analyzed spectra of Ganoderma raw material products were compared with spectra of cultivated Ganoderma raw material powder from different mushroom farms in Malaysia. The Ganoderma extract product was also compared with three types of cultivated Ganoderma extracts. Other medicinal Ganoderma contents in commercial extract product that included glucan and triterpenoid were analyzed by using FTIR and 2DIR. The results showed that water extract of cultivated Ganoderma possessed comparable spectra with that of Ganoderma product water extract. By comparing the content of Ganoderma commercial products using FTIR and 2DIR, product content profiles could be detected. In addition, the geographical origin of the Ganoderma products could be verified by comparing their spectra with Ganoderma products from known areas. This study demonstrated the possibility of developing verification tool to validate the purity of commercial medicinal herbal and mushroom products.

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

    Science.gov (United States)

    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.

  17. Automated acid and base number determination of mineral-based lubricants by fourier transform infrared spectroscopy: commercial laboratory evaluation.

    Science.gov (United States)

    Winterfield, Craig; van de Voort, F R

    2014-12-01

    The Fluid Life Corporation assessed and implemented Fourier transform infrared spectroscopy (FTIR)-based methods using American Society for Testing and Materials (ASTM)-like stoichiometric reactions for determination of acid and base number for in-service mineral-based oils. The basic protocols, quality control procedures, calibration, validation, and performance of these new quantitative methods are assessed. ASTM correspondence is attained using a mixed-mode calibration, using primary reference standards to anchor the calibration, supplemented by representative sample lubricants analyzed by ASTM procedures. A partial least squares calibration is devised by combining primary acid/base reference standards and representative samples, focusing on the main spectral stoichiometric response with chemometrics assisting in accounting for matrix variability. FTIR(AN/BN) methodology is precise, accurate, and free of most interference that affects ASTM D664 and D4739 results. Extensive side-by-side operational runs produced normally distributed differences with mean differences close to zero and standard deviations of 0.18 and 0.26 mg KOH/g, respectively. Statistically, the FTIR methods are a direct match to the ASTM methods, with superior performance in terms of analytical throughput, preparation time, and solvent use. FTIR(AN/BN) analysis is a viable, significant advance for in-service lubricant analysis, providing an economic means of trending samples instead of tedious and expensive conventional ASTM(AN/BN) procedures. © 2014 Society for Laboratory Automation and Screening.

  18. Identification of pulmonary edema in forensic autopsy cases of fatal anaphylactic shock using Fourier transform infrared microspectroscopy.

    Science.gov (United States)

    Lin, Hancheng; Luo, Yiwen; Wang, Lei; Deng, Kaifei; Sun, Qiran; Fang, Ruoxi; Wei, Xin; Zha, Shuai; Wang, Zhenyuan; Huang, Ping

    2018-03-01

    Anaphylaxis is a rapid allergic reaction that may cause sudden death. Currently, postmortem diagnosis of anaphylactic shock is sometimes difficult and often achieved through exclusion. The aim of our study was to investigate whether Fourier transform infrared (FTIR) microspectroscopy combined with pattern recognition methods would be complementary to traditional methods and provide a more accurate postmortem diagnosis of fatal anaphylactic shock. First, the results of spectral peak area analysis showed that the pulmonary edema fluid of the fatal anaphylactic shock group was richer in protein components than the control group, which included mechanical asphyxia, brain injury, and acute cardiac death. Subsequently, principle component analysis (PCA) was performed and showed that the anaphylactic shock group contained more turn and α-helix protein structures as well as less tyrosine-rich proteins than the control group. Ultimately, a partial least-square discriminant analysis (PLS-DA) model combined with a variables selection method called the genetic algorithm (GA) was built and demonstrated good separation between these two groups. This pilot study demonstrates that FTIR microspectroscopy has the potential to be an effective aid for postmortem diagnosis of fatal anaphylactic shock.

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

    Science.gov (United States)

    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.

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

    Science.gov (United States)

    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.

  1. Fourier-transform infrared spectroscopy as a novel approach to providing effect-based endpoints in duckweed toxicity testing.

    Science.gov (United States)

    Hu, Li-Xin; Ying, Guang-Guo; Chen, Xiao-Wen; Huang, Guo-Yong; Liu, You-Sheng; Jiang, Yu-Xia; Pan, Chang-Gui; Tian, Fei; Martin, Francis L

    2017-02-01

    Traditional duckweed toxicity tests only measure plant growth inhibition as an endpoint, with limited effects-based data. The present study aimed to investigate whether Fourier-transform infrared (FTIR) spectroscopy could enhance the duckweed (Lemna minor L.) toxicity test. Four chemicals (Cu, Cd, atrazine, and acetochlor) and 4 metal-containing industrial wastewater samples were tested. After exposure of duckweed to the chemicals, standard toxicity endpoints (frond number and chlorophyll content) were determined; the fronds were also interrogated using FTIR spectroscopy under optimized test conditions. Biochemical alterations associated with each treatment were assessed and further analyzed by multivariate analysis. The results showed that comparable x% of effective concentration (ECx) values could be achieved based on FTIR spectroscopy in comparison with those based on traditional toxicity endpoints. Biochemical alterations associated with different doses of toxicant were mainly attributed to lipid, protein, nucleic acid, and carbohydrate structural changes, which helped to explain toxic mechanisms. With the help of multivariate analysis, separation of clusters related to different exposure doses could be achieved. The present study is the first to show successful application of FTIR spectroscopy in standard duckweed toxicity tests with biochemical alterations as new endpoints. Environ Toxicol Chem 2017;36:346-353. © 2016 SETAC. © 2016 SETAC.

  2. Penalized discriminant analysis for the detection of wild-grown and cultivated Ganoderma lucidum using Fourier transform infrared spectroscopy.

    Science.gov (United States)

    Zhu, Ying; Tan, Tuck Lee

    2016-04-15

    An effective and simple analytical method using Fourier transform infrared (FTIR) spectroscopy to distinguish wild-grown high-quality Ganoderma lucidum (G. lucidum) from cultivated one is of essential importance for its quality assurance and medicinal value estimation. Commonly used chemical and analytical methods using full spectrum are not so effective for the detection and interpretation due to the complex system of the herbal medicine. In this study, two penalized discriminant analysis models, penalized linear discriminant analysis (PLDA) and elastic net (Elnet),using FTIR spectroscopy have been explored for the purpose of discrimination and interpretation. The classification performances of the two penalized models have been compared with two widely used multivariate methods, principal component discriminant analysis (PCDA) and partial least squares discriminant analysis (PLSDA). The Elnet model involving a combination of L1 and L2 norm penalties enabled an automatic selection of a small number of informative spectral absorption bands and gave an excellent classification accuracy of 99% for discrimination between spectra of wild-grown and cultivated G. lucidum. Its classification performance was superior to that of the PLDA model in a pure L1 setting and outperformed the PCDA and PLSDA models using full wavelength. The well-performed selection of informative spectral features leads to substantial reduction in model complexity and improvement of classification accuracy, and it is particularly helpful for the quantitative interpretations of the major chemical constituents of G. lucidum regarding its anti-cancer effects. Copyright © 2016 Elsevier B.V. All rights reserved.

  3. Time, Temperature, and Cationic Dependence of Alkali Activation of Slag: Insights from Fourier Transform Infrared Spectroscopy and Spectral Deconvolution.

    Science.gov (United States)

    Dakhane, Akash; Madavarapu, Sateesh Babu; Marzke, Robert; Neithalath, Narayanan

    2017-08-01

    The use of waste/by-product materials, such as slag or fly ash, activated using alkaline agents to create binding materials for construction applications (in lieu of portland cement) is on the rise. The influence of activation parameters (SiO 2 to Na 2 O ratio or M s of the activator, Na 2 O to slag ratio or n, cation type K + or Na + ) on the process and extent of alkali activation of slag under ambient and elevated temperature curing, evaluated through spectroscopic techniques, is reported in this paper. Fourier transform infrared spectroscopy along with a Fourier self-deconvolution method is used. The major spectral band of interest lies in the wavenumber range of ∼950 cm -1 , corresponding to the antisymmetric stretching vibration of Si-O-T (T = Si or Al) bonds. The variation in the spectra with time from 6 h to 28 days is attributed to the incorporation of Al in the gel structure and the enhancement in degree of polymerization of the gel. 29 Si nuclear magnetic resonance spectroscopy is used to quantify the Al incorporation with time, which is found to be higher when Na silicate is used as the activator. The Si-O-T bond wavenumbers are also generally lower for the Na silicate activated systems.

  4. Assessment of genetically modified soybean crops and different cultivars by Fourier transform infrared spectroscopy and chemometric analysis

    Directory of Open Access Journals (Sweden)

    Glaucia Braz Alcantara

    2010-06-01

    Full Text Available This paper describes the potentiality of Fourier transform infrared (FT-IR spectroscopy associated to chemometric analysis for assessment of conventional and genetically modified soybean crops. Recently, genetically modified organisms have been queried about their influence on the environment and their safety as food/feed. In this regard, chemical investigations are ever more required. Thus three different soybean cultivars distributed in transgenic Roundup ReadyTM soybean and theirs conventional counterparts were directly investigated by FT-IR spectroscopy and chemometric analysis. The application of PCA and KNN methods permitted the discrimination and classification of the genetically modified samples from conventional ones when they were separately analysed. The analyses showed the chemical variation according to genetic modification. Furthermore, this methodology was efficient for cultivar grouping and highlights cultivar dependence for discrimination between transgenic and non-transgenic samples. According to this study, FT-IR and chemometrics could be used as a quick, easy and low cost tool to assess the chemical composition variation in genetically modified organisms.

  5. Development and validation of green method for estimation of clarithromycin in pharmaceutical formulation by transmission fourier transform infrared spectroscopy

    International Nuclear Information System (INIS)

    Mallah, M.A.; Sherazi, S.T.H.; Mahesar, S.A.; Rauf, A.

    2012-01-01

    A rapid, sensitive and environmental friendly analytical method for the direct determination of clarithromycin in tablet formulations through transmission Fourier Transform Infrared (FT-IR) spectroscopy has been successfully developed for routine quality control analysis. This method avoids any sample pretreatment except grinding or use of any solvent as extraction is no more required. Standards and samples were analysed in the form of KBr pellet for recording FT-IR spectra. In the final step, chemometric method was used to filter out unmatched spectral features and the converted and filtered spectra were used to build a calibration model based on partial least square (PLS) using the FT-IR carbonyl region (C=O) from 2965-1662 cm/sup -1/. The excellent correlation coefficient (R2) was achieved (0.9999). This also fulfills the ever increasing demand of pharmaceutical industries for developing sensitive, economical and less time consuming methods for the quantification of Active Pharmaceutical Ingredients (API) while monitoring quality of finished product with total analysis time of less than three minutes. (author)

  6. Rapid estimation of the biochemical methane potential of plant biomasses using Fourier transform mid-infrared photoacoustic spectroscopy.

    Science.gov (United States)

    Bekiaris, Georgios; Triolo, Jin M; Peltre, Clément; Pedersen, Lene; Jensen, Lars S; Bruun, Sander

    2015-12-01

    Biochemical methane potential (BMP) is a very important characteristic of a given feedstock for optimisation of its use in biogas production. However, the long digestion time needed to determine BMP is the main limitation for the use of this assay during the operation of anaerobic digesters to produce biogas. Fourier transform mid-infrared photoacoustic spectroscopy (FTIR-PAS) was used to predict the BMP of 87 plant biomasses. The developed calibration model was able to explain 81% of the variance in the measured BMP of a selected test set with a root mean square error (RMSE) of 40NLCH4kg(-1) of volatile solids (VS) and a ratio of performance to deviation (RPD) of 2.38. The interpretation of the regression coefficients used in the calibration revealed a positive correlation of BMP with easily degradable compounds (amorphous cellulose, hemicellulose and aliphatic compounds) and a negative correlation with inhibitors of cellulose hydrolysis (lignin, hemicellulose). Copyright © 2015 Elsevier Ltd. All rights reserved.

  7. Identification of spectral regions for the quantification of red wine tannins with fourier transform mid-infrared spectroscopy.

    Science.gov (United States)

    Jensen, Jacob S; Egebo, Max; Meyer, Anne S

    2008-05-28

    Accomplishment of fast tannin measurements is receiving increased interest as tannins are important for the mouthfeel and color properties of red wines. Fourier transform mid-infrared spectroscopy allows fast measurement of different wine components, but quantification of tannins is difficult due to interferences from spectral responses of other wine components. Four different variable selection tools were investigated for the identification of the most important spectral regions which would allow quantification of tannins from the spectra using partial least-squares regression. The study included the development of a new variable selection tool, iterative backward elimination of changeable size intervals PLS. The spectral regions identified by the different variable selection methods were not identical, but all included two regions (1485-1425 and 1060-995 cm(-1)), which therefore were concluded to be particularly important for tannin quantification. The spectral regions identified from the variable selection methods were used to develop calibration models. All four variable selection methods identified regions that allowed an improved quantitative prediction of tannins (RMSEP = 69-79 mg of CE/L; r = 0.93-0.94) as compared to a calibration model developed using all variables (RMSEP = 115 mg of CE/L; r = 0.87). Only minor differences in the performance of the variable selection methods were observed.

  8. Fourier Transform Infrared Absorption Spectroscopy for Quantitative Analysis of Gas Mixtures at Low Temperatures for Homeland Security Applications.

    Science.gov (United States)

    Meier, D C; Benkstein, K D; Hurst, W S; Chu, P M

    2017-05-01

    Performance standard specifications for point chemical vapor detectors are established in ASTM E 2885-13 and ASTM E 2933-13. The performance evaluation of the detectors requires the accurate delivery of known concentrations of the chemical target to the system under test. Referee methods enable the analyte test concentration and associated uncertainties in the analyte test concentration to be validated by independent analysis, which is especially important for reactive analytes. This work extends the capability of a previously demonstrated method for using Fourier transform infrared (FT-IR) absorption spectroscopy for quantitatively evaluating the composition of vapor streams containing hazardous materials at Acute Exposure Guideline Levels (AEGL) to include test conditions colder than laboratory ambient temperatures. The described method covers the use of primary reference spectra to establish analyte concentrations, the generation of secondary reference spectra suitable for measuring analyte concentrations under specified testing environments, and the use of additional reference spectra and spectral profile strategies to mitigate the uncertainties due to impurities and water condensation within the low-temperature (7 °C, -5 °C) test cell. Important benefits of this approach include verification of the test analyte concentration with characterized uncertainties by in situ measurements co-located with the detector under test, near-real-time feedback, and broad applicability to toxic industrial chemicals.

  9. Microfossil and Fourier transform infrared analyses of Lapita and post-Lapita human dental calculus from Vanuatu, southwest Pacific

    International Nuclear Information System (INIS)

    Horrocks, M.; Nieuwoudt, M.K.; Kinaston, R.; Buckley, H.; Bedford, S.

    2014-01-01

    Here we report on microfossil analysis of human dental calculus from Lapita (3000-2600 yr BP) and post-Lapita (2300-2000 yr BP) burials from Vao and Uripiv, Vanuatu. Phytoliths of introduced Musa and indigenous Heliconia in the calculus suggest the use of these taxa as food wrappings. Phytoliths and most other material in the calculus, namely sponge spicules, calcium oxalate crystals, xylem and charcoal, are unequivocal identifications. Another type of material, comprising degraded objects with a general morphology suggesting starch grains, is uncertain, however, as the unequivocal starch indicator, the Maltese cross, was not observed. We used a new method for calculus analysis, Fourier Transform InfraRed spectroscopy (FTIR), comparing the suspected starch with modern reference starch of prehistoric Pacific crops. Although the ancient FTIR analysis was limited to a small number of suspected starch grains, the results provide another line of evidence for starch. The calculus data are consistent with previous microfossil studies of Lapita deposits at the sites, and demonstrate the efficacy of this technique in contributing to the definition of the history of plant use and diet of early Pacific Island populations. (author)

  10. In vitro antibacterial activity of oxide and non-oxide bioceramics for arthroplastic devices: II. Fourier transform infrared spectroscopy.

    Science.gov (United States)

    Boschetto, Francesco; Toyama, Nami; Horiguchi, Satoshi; Bock, Ryan M; McEntire, Bryan J; Adachi, Tetsuya; Marin, Elia; Zhu, Wenliang; Mazda, Osam; Bal, B Sonny; Pezzotti, Giuseppe

    2018-04-30

    The metabolic response of Gram-positive Staphylococcus epidermidis (S. epidermidis) bacteria to bioceramic substrates was probed by means of Fourier transform infrared spectroscopy (FTIR). Oxide zirconia-toughened alumina (ZTA) and non-oxide silicon nitride (Si3N4) substrates were tested. Bacteria exposed to silica glass substrates were used as a control. S. epidermidis, a major cause of periprosthetic infections, was screened to obtain a precise time-lapse knowledge of its molecular composition and to mechanistically understand its interaction with different substrates. At the molecular level, the structure of proteins, lipids, nucleic acid, and aromatic amino acids evolved with time in response to different substrates. In combination with statistical validation and local pH measurements, a chemical lysis mechanism was spectroscopically observed in situ on the Si3N4 substrates. Utilization of FTIR in this study avoided fluorescence noise which occurred while probing the ZTA samples with Raman spectroscopy in a companion paper. The substrate-driven dynamics of polysaccharide and peptide variations in the bacterial cell wall, peculiar to Si3N4 bioceramics, are elucidated.

  11. Characterization of ionizing radiation effects on bone using Fourier Transform Infrared Spectroscopy and multivariate analysis of spectra

    Energy Technology Data Exchange (ETDEWEB)

    Castro, Pedro Arthur Augusto de; Dias, Derly Augusto; Zezell, Denise Maria, E-mail: zezell@usp.br [Instituto de Pesquisas Energeticas e Nucleares (IPEN/CNEN-SP), Sao Paulo, SP (Brazil)

    2017-11-01

    Ionizing radiation has been used as an important treatment and diagnostic method for several diseases. Optical techniques provides an efficient clinical diagnostic to support an accurate evaluation of the interaction of radiation with molecules. Fourier-transform infrared spectroscopy coupled with attenuated total reflectance (ATR-FTIR) is a label-free and nondestructive optical technique that can recognize functional groups in biological samples. In this work, 30 fragments of bone were collected from bovine femur diaphysis. Samples were cut and polished until 1 cm x 1 cm x 1 mm, which were then stored properly in the refrigerated environment. Samples irradiation was performed with a Cobalt-60 Gammacell Irradiator source at doses of 0.1 kGy, 1 kGy, whereas the fragments exposed to dose of 15 kGy was irradiated in a multipurpose irradiator of Cobalt-60. Spectral data was submitted to principal component analysis followed by linear discriminant analysis. Multivariate analysis was performed with Principal component analysis(PCA) followed by Linear Discriminant Analysis(LDA) using MATLAB R2015a software (The Mathworks Inc., Natick, MA, USA). We demonstrated the feasibility of using ATR-FTIR spectroscopy associated with PCA-LDA multivariate technique to evaluate the molecular changes in bone matrix caused by different doses: 0.1 kGy, 1 kGy and 15 kGy. These alterations between the groups are mainly reported in phosphate region. Our results open up new possibilities for protein monitoring relating to dose responses. (author)

  12. A rapid method to screen for cell-wall mutants using discriminant analysis of Fourier transform infrared spectra

    International Nuclear Information System (INIS)

    Chen LiMei; Carpita, N.C.; Reiter, W.D.; Wilson, R.H.; Jeffries, C.; McCann, M.C.

    1998-01-01

    We have developed a rapid method to screen large numbers of mutant plants for a broad range of cell wall phenotypes using Fourier transform infrared (FTIR) microspectroscopy of leaves. We established and validated a model that can discriminate between the leaves of wild-type and a previously defined set of cell-wall mutants of Arabidopsis. Exploratory principal component analysis indicated that mutants deficient in different cell-wall sugars can be distinguished from each other. Discrimination of cell-wall mutants from wild-type was independent of variability in starch content or additional unrelated mutations that might be present in a heavily mutagenised population. We then developed an analysis of FTIR spectra of leaves obtained from over 1000 mutagenised flax plants, and selected 59 plants whose spectral variation from wild-type was significantly out of the range of a wild-type population, determined by Mahalanobis distance. Cell wall sugars from the leaves of selected putative mutants were assayed by gas chromatography-mass spectrometry and 42 showed significant differences in neutral sugar composition. The FTIR spectra indicated that six of the remaining 17 plants have altered ester or protein content. We conclude that linear discriminant analysis of FTIR spectra is a robust method to identify a broad range of structural and architectural alterations in cell walls, appearing as a consequence of developmental regulation, environmental adaptation or genetic modification. (author)

  13. Application of fourier-transform infrared (ft-ir) spectroscopy for determination of total phenolics of freeze dried lemon juices

    International Nuclear Information System (INIS)

    Sherazi, S.T.H.; Bhutto, A.A.; Mehesar, S.A.

    2017-01-01

    A cost effective and environmentally safe analytical method for rapid assessment of total phenolic content (TPC) in freeze dried lemon juice samples was developed using transmission Fourier-transform infrared spectroscopy (FT-IR) in conjunction with chemometric techniques. Two types of calibrations i.e. simple Beer's law and partial least square (PLS) were applied to investigate most accurate calibration model based on region from1420 to 1330 cm-1. The better analytical performance was obtained by PLS technique coefficient of determination (R2), root mean square error of calibration (RMSEC) with the value of 0.999 and 0.00864, respectively. The results of TPC in freeze dried lemon juice samples obtained by transmission FT-IR were compared with TPC observed by Folin-Ciocalteu (FC) assay and found to be comparable. Outcomes of the present study indicate that transmission FT-IR spectroscopic approach could be used as an alternative approach in place of Folin-Ciocalteu (FC) assay which is expensive and time-consuming conventional chemical methods for determination of the total phenolic content of lemon fruits. (author)

  14. Fourier transform infrared spectroscopy combined with chemometrics for discrimination of Curcuma longa, Curcuma xanthorrhiza and Zingiber cassumunar

    Science.gov (United States)

    Rohaeti, Eti; Rafi, Mohamad; Syafitri, Utami Dyah; Heryanto, Rudi

    2015-02-01

    Turmeric (Curcuma longa), java turmeric (Curcuma xanthorrhiza) and cassumunar ginger (Zingiber cassumunar) are widely used in traditional Indonesian medicines (jamu). They have similar color for their rhizome and possess some similar uses, so it is possible to substitute one for the other. The identification and discrimination of these closely-related plants is a crucial task to ensure the quality of the raw materials. Therefore, an analytical method which is rapid, simple and accurate for discriminating these species using Fourier transform infrared spectroscopy (FTIR) combined with some chemometrics methods was developed. FTIR spectra were acquired in the mid-IR region (4000-400 cm-1). Standard normal variate, first and second order derivative spectra were compared for the spectral data. Principal component analysis (PCA) and canonical variate analysis (CVA) were used for the classification of the three species. Samples could be discriminated by visual analysis of the FTIR spectra by using their marker bands. Discrimination of the three species was also possible through the combination of the pre-processed FTIR spectra with PCA and CVA, in which CVA gave clearer discrimination. Subsequently, the developed method could be used for the identification and discrimination of the three closely-related plant species.

  15. Elucidation of the thermal deterioration mechanism of bio-oil pyrolyzed from rice husk using Fourier transform infrared spectroscopy.

    Science.gov (United States)

    Xu, Fang; Xu, Yu; Lu, Rui; Sheng, Guo-Ping; Yu, Han-Qing

    2011-09-14

    In this study, the rationale for exploring the thermal deterioration mechanism of the bio-oil pyrolyzed from rice husk is established. This is based on identification of the unstable intermediates in the thermal deterioration process. Fourier transform infrared (FTIR) spectroscopy was used to monitor such a thermal deterioration process of bio-oil samples in thermal treatment and/or during long-term storage at ambient temperatures of 20-30 °C. Terminal olefins, as a key intermediate, so-called "signature", were identified qualitatively by using FTIR spectroscopy. A band shift observed at 880 cm(-1), which was assigned to the C-H out-of-plane deformation vibration of terminal olefins, indicates the start-up of the bio-oil thermal deterioration. A two-step pathway was proposed to describe the thermal deterioration process of bio-oil. This study suggests that the status of bio-oil could be rapidly monitored by the FTIR method.

  16. Determination of quality parameters of beers by the use of attenuated total reflectance-Fourier transform infrared spectroscopy.

    Science.gov (United States)

    Llario, Rafael; Iñón, Fernando A; Garrigues, Salvador; de la Guardia, Miguel

    2006-04-15

    The estimation of important quality parameters of beers, such as original and real extracts and alcohol content, has been evaluated by attenuated total reflectance-Fourier transform infrared spectroscopy (ATR-FTIR) using a partial least square (PLS) calibration approach. Two sample populations, one consisting of 24 samples and other of 21 samples, obtained from the Spanish market and covering different types of beer were used. The first set was used for building and validating the model, whereas the second, measured 6 months after, was used for evaluating its robustness. The spectral range and the size of the calibration set and its suitability for building the PLS model have been evaluated. Considering a calibration set comprised of 12 samples, selected via hierarchical cluster analysis, and a validation data set of 11 samples, the absolute mean difference (d(x-y)) and standard deviation of mean differences (s(x-y)) of the real extract, original extract and alcohol content were 0.009 and 0.069% (w/w), -0.021 and 0.20% (w/w) and -0.003 and 0.130% (v/v), respectively. The maximum error for the prediction of any of these three parameters for a new sample did not exceed 2.5%. These values were practically invariant for both tested data sets. The developed methodology favourably compares with the automatic reference methodology in terms of speed and reagent consumption and waste generation.

  17. Penalized discriminant analysis for the detection of wild-grown and cultivated Ganoderma lucidum using Fourier transform infrared spectroscopy

    Science.gov (United States)

    Zhu, Ying; Tan, Tuck Lee

    2016-04-01

    An effective and simple analytical method using Fourier transform infrared (FTIR) spectroscopy to distinguish wild-grown high-quality Ganoderma lucidum (G. lucidum) from cultivated one is of essential importance for its quality assurance and medicinal value estimation. Commonly used chemical and analytical methods using full spectrum are not so effective for the detection and interpretation due to the complex system of the herbal medicine. In this study, two penalized discriminant analysis models, penalized linear discriminant analysis (PLDA) and elastic net (Elnet),using FTIR spectroscopy have been explored for the purpose of discrimination and interpretation. The classification performances of the two penalized models have been compared with two widely used multivariate methods, principal component discriminant analysis (PCDA) and partial least squares discriminant analysis (PLSDA). The Elnet model involving a combination of L1 and L2 norm penalties enabled an automatic selection of a small number of informative spectral absorption bands and gave an excellent classification accuracy of 99% for discrimination between spectra of wild-grown and cultivated G. lucidum. Its classification performance was superior to that of the PLDA model in a pure L1 setting and outperformed the PCDA and PLSDA models using full wavelength. The well-performed selection of informative spectral features leads to substantial reduction in model complexity and improvement of classification accuracy, and it is particularly helpful for the quantitative interpretations of the major chemical constituents of G. lucidum regarding its anti-cancer effects.

  18. Numerous applications of fiber optic evanescent wave Fourier transform infrared (FEW-FTIR) spectroscopy for subsurface structural analysis

    Science.gov (United States)

    Afanasyeva, Natalia I.; Welser, Leslie; Bruch, Reinhard F.; Kano, Angelique; Makhine, Volodymyr

    1999-10-01

    A new infrared (IR) interferometric method has been developed in conjunction with low-loss, flexible optical fibers, sensors, and probes. This combination of fiber optical sensors and Fourier Transform (FT) spectrometers can be applied to many fields, including (1) noninvasive medical diagnostics of cancer and other different diseases in vivo, (2) minimally invasive bulk diagnostics of tissue, (3) remote monitoring of tissue, chemical processes, and environment, (4) surface analysis of polymers and other materials, (5) characterization of the quality of food, pharmacological products, cosmetics, paper, and other wood-related products, as well as (6) agricultural, forensic, geological, mining, and archeological field measurements. In particular, our nondestructive, fast, compact, portable, remote and highly sensitive diagnostics tools are very promising for subsurface analysis at the molecular level without sample preparation. For example, this technique is ideal for different types of soft porous foams, rough polymers, and rock surfaces. Such surfaces, as well as living tissue, are very difficult to investigate by traditional FTIR methods. We present here FEW-FTIR spectra of polymers, banana and grapefruit peels, and living tissues detected directly at surfaces. In addition, results on the vibrational spectral analysis of normal and pathological skin tissue in the region of 850 - 4000 cm-1 are discussed.

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

    Science.gov (United States)

    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.

  20. Introduction to body composition assessment using the deuterium dilution technique with analysis of saliva samples by fourier transform infrared spectrometry

    International Nuclear Information System (INIS)

    2010-01-01

    For many years, the IAEA has fostered the more widespread use of stable isotope techniques to assess body composition in different population groups to address priority areas in public health nutrition in Member States. The objective is to support national and regional nutrition projects through both the IAEA's technical cooperation programme and its coordinated research projects. In particular, during the last few years, the increased access to analyses of deuterium enrichment by Fourier transform infrared (FTIR) spectrometry has increased the application of this technique in Africa, Asia and Latin America. This publication was developed by an international group of experts to provide practical, hands-on guidance in the use of this technique in settings where the analysis of deuterium enrichment in saliva samples will be made by FTIR. It is targeted at new users of this technique, for example nutritionists, analytical chemists and other professionals. More detailed information on the theoretical background and the practical application of state of the art methodologies to monitor changes in body composition can be found in an IAEA publication entitled Assessment of Body Composition and Total Energy Expenditure in Humans by Stable Isotope Techniques (IAEA Human Health Series No. 3)

  1. Optical Determination of Lead Chrome Green in Green Tea by Fourier Transform Infrared (FT-IR Transmission Spectroscopy.

    Directory of Open Access Journals (Sweden)

    Xiaoli Li

    Full Text Available The potential of Fourier transform infrared (FT-IR transmission spectroscopy for determination of lead chrome green in green tea was investigated based on chemometric methods. Firstly, the qualitative analysis of lead chrome green in tea was performed based on partial least squares discriminant analysis (PLS-DA, and the correct rate of classification was 100%. And then, a hybrid method of interval partial least squares (iPLS regression and successive projections algorithm (SPA was proposed to select characteristic wavenumbers for the quantitative analysis of lead chrome green in green tea, and 19 wavenumbers were obtained finally. Among these wavenumbers, 1384 (C = C, 1456, 1438, 1419(C = N, and 1506 (CNH cm-1 were the characteristic wavenumbers of lead chrome green. Then, these 19 wavenumbers were used to build determination models. The best model was achieved by least squares support vector machine (LS-SVMalgorithm with high coefficient of determination and low root-mean square error of prediction set (R2p = 0.864 and RMSEP = 0.291. All these results indicated the feasibility of IR spectra for detecting lead chrome green in green tea.

  2. Characterization of ionizing radiation effects on bone using Fourier Transform Infrared Spectroscopy and multivariate analysis of spectra

    International Nuclear Information System (INIS)

    Castro, Pedro Arthur Augusto de; Dias, Derly Augusto; Zezell, Denise Maria

    2017-01-01

    Ionizing radiation has been used as an important treatment and diagnostic method for several diseases. Optical techniques provides an efficient clinical diagnostic to support an accurate evaluation of the interaction of radiation with molecules. Fourier-transform infrared spectroscopy coupled with attenuated total reflectance (ATR-FTIR) is a label-free and nondestructive optical technique that can recognize functional groups in biological samples. In this work, 30 fragments of bone were collected from bovine femur diaphysis. Samples were cut and polished until 1 cm x 1 cm x 1 mm, which were then stored properly in the refrigerated environment. Samples irradiation was performed with a Cobalt-60 Gammacell Irradiator source at doses of 0.1 kGy, 1 kGy, whereas the fragments exposed to dose of 15 kGy was irradiated in a multipurpose irradiator of Cobalt-60. Spectral data was submitted to principal component analysis followed by linear discriminant analysis. Multivariate analysis was performed with Principal component analysis(PCA) followed by Linear Discriminant Analysis(LDA) using MATLAB R2015a software (The Mathworks Inc., Natick, MA, USA). We demonstrated the feasibility of using ATR-FTIR spectroscopy associated with PCA-LDA multivariate technique to evaluate the molecular changes in bone matrix caused by different doses: 0.1 kGy, 1 kGy and 15 kGy. These alterations between the groups are mainly reported in phosphate region. Our results open up new possibilities for protein monitoring relating to dose responses. (author)

  3. USING FOURIER TRANSFORM INFRARED (FTIR TO CHARACTERIZE TSUNAMI DEPOSITS IN NEAR-SHORE AND COASTAL WATERS OF THAILAND

    Directory of Open Access Journals (Sweden)

    S. Pongpiachan

    2013-01-01

    Full Text Available Understanding the tsunami cycle requires a simple method for identification of tsunami backwash deposits. This study investigates Fourier transform infrared (FTIR spectroscopy followed by careful analysis of variance (ANOVA, Gaussian distribution, hierarchical cluster analysis (HCA and principal component analysis (PCA for the discrimination of typical marine sediments and tsunami backwash deposits. In order to test the suitability of FTIR spectra as innovative methods for classifications of tsunami deposits, typical marine sediments and terrestrial soils were classified into three zones, namely zone-1 (i.e. typical marine sediments, zone-2 (i.e. including tsunami backwash deposits and zone-3 (i.e. coastal terrestrial soils. HCA was performed to group the spectra according to their spectral similarity in a dendrogram and successfully separate FTIR spectra of all three sampling zones into two main clusters with five sub-clusters. The simplicifolious (i.e. single-leafed type of dendrogram was observed with the strong dissimilarity of terrestrial components in subcluster- 5. Graphical displays of PC1 vs PC2 highlight the prominent features of zone-1, which is explicitly different from those of zone-2 and zone-3. The acceptable discrimination of typical marine sediments and tsunami backwash deposits, even six years after the tsunami on Boxing Day 2004, dramatically demonstrates the potential of the method for the identification of paleotsunami.

  4. Quick detection and quantification of iron-cyanide complexes using fourier transform infrared spectroscopy.

    Science.gov (United States)

    Sut-Lohmann, Magdalena; Raab, Thomas

    2017-08-01

    The continuous release of persistent iron-cyanide (Fe-CN) complexes from various industrial sources poses a high hazard to the environment and indicates the necessity to analyze a considerable amount of samples. Conventional flow injection analysis (FIA) is a time and cost consuming method for cyanide (CN) determination. Thus, a rapid and economic alternative needs to be developed to quantify the Fe-CN complexes. 52 soil samples were collected at a former Manufactured Gas Plant (MGP) site in order to determine the feasibility of diffuse reflectance infrared Fourier spectroscopy (DRIFTS). Soil analysis revealed CN concentrations in a range from 8 to 14.809 mg kg -1 , where 97% was in the solid form (Fe 4 [Fe(CN) 6 ] 3 ), which is characterized by a single symmetrical CN band in the range 2092-2084 cm -1 . The partial least squares (PLS) calibration-validation model revealed IR response to CN tot which exceeds 2306 mg kg -1 (limit of detection, LOD). Leave-one-out cross-validation (LOO-CV) was performed on soil samples, which contained low CN tot ( 900 mg kg -1 resulted in LOD equal to 3751 mg kg -1 . It was found that FTIR spectroscopy provides the information concerning different CN species in the soil samples. Additionally, it is suitable for quantifying Fe-CN species in matrixes with CN tot  > 154 mg kg -1 . Thus, FTIR spectroscopy, in combination with the statistical approach applied here seems to be a feasible and quick method for screening of contaminated sites. Copyright © 2017 Elsevier Ltd. All rights reserved.

  5. Organic and inorganic correlations for Northwest Africa 852 by synchrotron-based Fourier transform infrared microspectroscopy

    Science.gov (United States)

    Yesiltas, Mehmet; Peale, Robert E.; Unger, Miriam; Sedlmair, Julia; Hirschmugl, Carol J.

    2015-10-01

    Relationships between organic molecules and inorganic minerals are investigated in a single 34 μm diameter grain of the CR2 chondrite Northwest Africa 852 (NWA) 852 with submicron spatial resolution using synchrotron-based imaging micro-FTIR spectroscopy. Correlations based on absorption strength for the various constituents are determined using statistical correlation analysis. The silicate band is found to be correlated with the hydration band, and the latter is highly correlated with stretching modes of aliphatic hydrocarbons. Spatial distribution maps show that water+organic combination, silicate, OH, and C-H distributions overlap, suggesting a possible catalytic role of phyllosilicates in the formation of organics. In contrast, the carbonate band is anticorrelated with water+organic combination, however uncorrelated with any other spectral feature. The average ratio of asymmetric CH2 and CH3 band strengths (CH2/CH3 = 2.53) for NWA 852 is similar to the average ratio of interplanetary dust particles (~2.40) and Wild 2 cometary dust particles (2.50), but it significantly exceeds that of interstellar medium objects (~1.00) and several aqueously altered carbonaceous chondrites (~1.40). This suggests organics of similar length/branching, and perhaps similar formation regions, for NWA 852, Wild 2 dust particles, and interplanetary dust particles. The heterogeneous spatial distribution of ratio values indicates the presence of a mixture of aliphatic organic material with different length/branching, and thus a wide range of parent body processes, which occurred before the considered grain was formed.

  6. Application of Fourier transform infrared spectroscopy to biomolecular profiling of cultured fibroblast cells from Gaucher disease patients: A preliminary investigation.

    Science.gov (United States)

    Igci, Nasit; Sharafi, Parisa; Demiralp, Duygu Ozel; Demiralp, Cemil Ozerk; Yuce, Aysel; Emre, Serap Dokmeci

    2017-10-01

    Gaucher disease (GD) is defined as an autosomal recessive disorder resulting from the deficiency of glucocerebrosidase (E.C. 3.2.1.45). Glucocerebrosidase is responsible for the degradation of glucosylceramide into ceramide and glucose. The deficiency of this enzyme results in the accumulation of undegraded glucosylceramide, almost exclusively in macrophages. With Fourier transform infrared (FTIR) spectroscopy, the complete molecular diversity of the samples can be studied comparatively and the amount of the particular materials can be determined. Also, the secondary structure ratios of proteins can be determined by analysing the amide peaks. The primary aim of this study is to introduce FTIR-ATR spectroscopy technique to GD research for the first time in the literature and to assess its potential as a new molecular method. Primary fibroblast cell cultures obtained from biopsy samples were used, since this material is widely used for the diagnosis of GD. Intact cells were placed onto a FTIR-ATR crystal and dried by purging nitrogen gas. Spectra were recorded in the mid-infrared region between 4500-850 cm-1 wavenumbers. Each peak in the spectra was assigned to as organic biomolecules according to their chemical bond information. A quantitative analysis was performed using peak areas and we also used a hierarchical cluster analysis as a multivariate spectral analysis. We obtained FTIR spectra of fibroblast samples and assigned the biomolecule origins of the peaks. We observed individual heterogeneity in FTIR spectra of GD fibroblast samples, confirming the well-known phenotypic heterogeneity in GD at the molecular level. Significant alterations in protein, lipid and carbohydrate levels related to the enzyme replacement therapy were also observed, which is also supported by cluster analysis. Our results showed that the application of FTIR spectroscopy to GD research deserves more attention and detailed studies with an increased sample size in order to evaluate its

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

    Science.gov (United States)

    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.

  8. Quantitative evaluation of temporal partial coherence using 3D Fourier transforms of through-focus TEM images

    International Nuclear Information System (INIS)

    Kimoto, Koji; Sawada, Hidetaka; Sasaki, Takeo; Sato, Yuta; Nagai, Takuro; Ohwada, Megumi; Suenaga, Kazu; Ishizuka, Kazuo

    2013-01-01

    We evaluate the temporal partial coherence of transmission electron microscopy (TEM) using the three-dimensional (3D) Fourier transform (FT) of through-focus images. Young's fringe method often indicates the unexpected high-frequency information due to non-linear imaging terms. We have already used the 3D FT of axial (non-tilted) through-focus images to reduce the effect of non-linear terms on the linear imaging term, and demonstrated the improvement of monochromated lower-voltage TEM performance [Kimoto et al., Ultramicroscopy 121 (2012) 31–39]. Here we apply the 3D FT method with intentionally tilted incidence to normalize various factors associated with a TEM specimen and an imaging device. The temporal partial coherence of two microscopes operated at 30, 60 and 80 kV is evaluated. Our method is applicable to such cases where the non-linear terms become more significant in lower acceleration voltage or aberration-corrected high spatial resolution TEM. - Highlights: • We assess the temporal partial coherence of TEM using a 3-dimensional (3D) Fourier transform (FT) of through-focus images. • We apply the 3D FT method with intentionally tilted incidence to normalize various factors associated with a TEM specimen and an imaging device. • The spatial frequency at which information transfer decreases to 1/e 2 (13.5%) is determined for two lower-voltage TEM systems

  9. Long open-path measurements of greenhouse gases in air using near-infrared Fourier transform spectroscopy

    Directory of Open Access Journals (Sweden)

    D. W. T. Griffith

    2018-03-01

    Full Text Available In complex and urban environments, atmospheric trace gas composition is highly variable in time and space. Point measurement techniques for trace gases with in situ instruments are well established and accurate, but do not provide spatial averaging to compare against developing high-resolution atmospheric models of composition and meteorology with resolutions of the order of a kilometre. Open-path measurement techniques provide path average concentrations and spatial averaging which, if sufficiently accurate, may be better suited to assessment and interpretation with such models. Open-path Fourier transform spectroscopy (FTS in the mid-infrared region, and differential optical absorption spectroscopy (DOAS in the UV and visible, have been used for many years for open-path spectroscopic measurements of selected species in both clean air and in polluted environments. Near infrared instrumentation allows measurements over longer paths than mid-infrared FTS for species such as greenhouse gases which are not easily accessible to DOAS.In this pilot study we present the first open-path near-infrared (4000–10 000 cm−1, 1.0–2.5 µm FTS measurements of CO2, CH4, O2, H2O and HDO over a 1.5 km path in urban Heidelberg, Germany. We describe the construction of the open-path FTS system, the analysis of the collected spectra, several measures of precision and accuracy of the measurements, and the results a four-month trial measurement period in July–November 2014. The open-path measurements are compared to calibrated in situ measurements made at one end of the open path. We observe significant differences of the order of a few ppm for CO2 and a few tens of ppb for CH4 between the open-path and point measurements which are 2 to 4 times the measurement repeatability, but we cannot unequivocally assign the differences to specific local sources or sinks. We conclude that open-path FTS may provide a valuable new tool for investigations of

  10. Long open-path measurements of greenhouse gases in air using near-infrared Fourier transform spectroscopy

    Science.gov (United States)

    Griffith, David W. T.; Pöhler, Denis; Schmitt, Stefan; Hammer, Samuel; Vardag, Sanam N.; Platt, Ulrich

    2018-03-01

    In complex and urban environments, atmospheric trace gas composition is highly variable in time and space. Point measurement techniques for trace gases with in situ instruments are well established and accurate, but do not provide spatial averaging to compare against developing high-resolution atmospheric models of composition and meteorology with resolutions of the order of a kilometre. Open-path measurement techniques provide path average concentrations and spatial averaging which, if sufficiently accurate, may be better suited to assessment and interpretation with such models. Open-path Fourier transform spectroscopy (FTS) in the mid-infrared region, and differential optical absorption spectroscopy (DOAS) in the UV and visible, have been used for many years for open-path spectroscopic measurements of selected species in both clean air and in polluted environments. Near infrared instrumentation allows measurements over longer paths than mid-infrared FTS for species such as greenhouse gases which are not easily accessible to DOAS.In this pilot study we present the first open-path near-infrared (4000-10 000 cm-1, 1.0-2.5 µm) FTS measurements of CO2, CH4, O2, H2O and HDO over a 1.5 km path in urban Heidelberg, Germany. We describe the construction of the open-path FTS system, the analysis of the collected spectra, several measures of precision and accuracy of the measurements, and the results a four-month trial measurement period in July-November 2014. The open-path measurements are compared to calibrated in situ measurements made at one end of the open path. We observe significant differences of the order of a few ppm for CO2 and a few tens of ppb for CH4 between the open-path and point measurements which are 2 to 4 times the measurement repeatability, but we cannot unequivocally assign the differences to specific local sources or sinks. We conclude that open-path FTS may provide a valuable new tool for investigations of atmospheric trace gas composition in

  11. Fast Fourier transform telescope

    International Nuclear Information System (INIS)

    Tegmark, Max; Zaldarriaga, Matias

    2009-01-01

    We propose an all-digital telescope for 21 cm tomography, which combines key advantages of both single dishes and interferometers. The electric field is digitized by antennas on a rectangular grid, after which a series of fast Fourier transforms recovers simultaneous multifrequency images of up to half the sky. Thanks to Moore's law, the bandwidth up to which this is feasible has now reached about 1 GHz, and will likely continue doubling every couple of years. The main advantages over a single dish telescope are cost and orders of magnitude larger field-of-view, translating into dramatically better sensitivity for large-area surveys. The key advantages over traditional interferometers are cost (the correlator computational cost for an N-element array scales as Nlog 2 N rather than N 2 ) and a compact synthesized beam. We argue that 21 cm tomography could be an ideal first application of a very large fast Fourier transform telescope, which would provide both massive sensitivity improvements per dollar and mitigate the off-beam point source foreground problem with its clean beam. Another potentially interesting application is cosmic microwave background polarization.

  12. Fourier-transform-infrared-spectroscopy based spectral-biomarker selection towards optimum diagnostic differentiation of oral leukoplakia and cancer.

    Science.gov (United States)

    Banerjee, Satarupa; Pal, Mousumi; Chakrabarty, Jitamanyu; Petibois, Cyril; Paul, Ranjan Rashmi; Giri, Amita; Chatterjee, Jyotirmoy

    2015-10-01

    In search of specific label-free biomarkers for differentiation of two oral lesions, namely oral leukoplakia (OLK) and oral squamous-cell carcinoma (OSCC), Fourier-transform infrared (FTIR) spectroscopy was performed on paraffin-embedded tissue sections from 47 human subjects (eight normal (NOM), 16 OLK, and 23 OSCC). Difference between mean spectra (DBMS), Mann-Whitney's U test, and forward feature selection (FFS) techniques were used for optimising spectral-marker selection. Classification of diseases was performed with linear and quadratic support vector machine (SVM) at 10-fold cross-validation, using different combinations of spectral features. It was observed that six features obtained through FFS enabled differentiation of NOM and OSCC tissue (1782, 1713, 1665, 1545, 1409, and 1161 cm(-1)) and were most significant, able to classify OLK and OSCC with 81.3 % sensitivity, 95.7 % specificity, and 89.7 % overall accuracy. The 43 spectral markers extracted through Mann-Whitney's U Test were the least significant when quadratic SVM was used. Considering the high sensitivity and specificity of the FFS technique, extracting only six spectral biomarkers was thus most useful for diagnosis of OLK and OSCC, and to overcome inter and intra-observer variability experienced in diagnostic best-practice histopathological procedure. By considering the biochemical assignment of these six spectral signatures, this work also revealed altered glycogen and keratin content in histological sections which could able to discriminate OLK and OSCC. The method was validated through spectral selection by the DBMS technique. Thus this method has potential for diagnostic cost minimisation for oral lesions by label-free biomarker identification.

  13. [Research on Application of Fourier Transform Infrared Spectrometry in the Diagnosis of Lymph Node Metastasis in Gastric Cancer].

    Science.gov (United States)

    Bai, Yue-kui; Yu, Li-wei; Zhang, Le; Fu, Jing; Leng, Hui; Yang, Xiao-jun; Ma, Jun-qiang; Li, Xiao-juan; Li, Xiu-juan; Zhu, Qing; Zhang, Yuan-fu; Ling, Xiao-feng; Cao, Wen-lan

    2015-03-01

    To explore the feasibility of quick intraoperative in situ and noninvasive diagnosis of lymph node metastasis in gastric cancer by Fourier transform infrared (FTIR) spectrometry. FTIR spectra of surgically removed fresh lymph nodes were measured by FTIR via probe of attenuated total reflection (ATR). For each spectrum, 13 bands were indentified and assigned between 3 000 and 1 000 cm(-1). Peaks in the spectra were measured and relative intensity ratios were calculated and compared between the spectra of Metastatic lymph nodes (MLN) and Non-metastatic lymph nodes (NMLN). Standard statistic analysis was performed. 720 lymph nodes were measured in 38 gastric cancer patients. Results show that there were significant differences between the FTIR of 540 MLN and 180 NMLN. (1) For the band related to nucleic acid: The ratios of I1240/I1460 (p = 0.015) and I1080/I1460 (p = 0.034) increased in MLN, which shows that the relative quantity of nucleic acid was more in MLN than that in NMLN. (2) For the bands related to protein: The ratios of I1640 /I1460 (p = 0.001) and I146/I1460 (p = 0.027) increased in MLN, which shows that the relative quantity of protein was more in MLN. (3) For the bands related to lipid: The ratio of I2855/I460 and I1740/I1460 decreased in MLN FTIR spectrum, indicating the lower relative quantity of lipid in MLN. (4) For the bands related to carbohydrate: The ratio of I1160/I1460 (p = 0.023) decreased in MLN FTIR spectrum, indicating the lower relative quantity of carbohydrate in MLN. The results demonstrate that the FTIR spectroscopy technique maybe develop into a promising method for in situ and quick intraoperative differential diagnosis of lymph node metastasis in gastric cancer.

  14. Application of Fourier transform infrared spectroscopy and chemometrics for differentiation of Salmonella enterica serovar Enteritidis phage types.

    Science.gov (United States)

    Preisner, Ornella; Guiomar, Raquel; Machado, Jorge; Menezes, José Cardoso; Lopes, João Almeida

    2010-06-01

    Fourier transform infrared (FT-IR) spectroscopy and chemometric techniques were used to discriminate five closely related Salmonella enterica serotype Enteritidis phage types, phage type 1 (PT1), PT1b, PT4b, PT6, and PT6a. Intact cells and outer membrane protein (OMP) extracts from bacterial cell membranes were subjected to FT-IR analysis in transmittance mode. Spectra were collected over a wavenumber range from 4,000 to 600 cm(-1). Partial least-squares discriminant analysis (PLS-DA) was used to develop calibration models based on preprocessed FT-IR spectra. The analysis based on OMP extracts provided greater separation between the Salmonella Enteritidis PT1-PT1b, PT4b, and PT6-PT6a groups than the intact cell analysis. When these three phage type groups were considered, the method based on OMP extract FT-IR spectra was 100% accurate. Moreover, complementary local models that considered only the PT1-PT1b and PT6-PT6a groups were developed, and the level of discrimination increased. PT1 and PT1b isolates were differentiated successfully with the local model using the entire OMP extract spectrum (98.3% correct predictions), whereas the accuracy of discrimination between PT6 and PT6a isolates was 86.0%. Isolates belonging to different phage types (PT19, PT20, and PT21) were used with the model to test its robustness. For the first time it was demonstrated that FT-IR analysis of OMP extracts can be used for construction of robust models that allow fast and accurate discrimination of different Salmonella Enteritidis phage types.

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

    Science.gov (United States)

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

    2002-06-01

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

  16. A validated Fourier transform infrared spectroscopy method for quantification of total lactones in Inula racemosa and Andrographis paniculata.

    Science.gov (United States)

    Shivali, Garg; Praful, Lahorkar; Vijay, Gadgil

    2012-01-01

    Fourier transform infrared (FT-IR) spectroscopy is a technique widely used for detection and quantification of various chemical moieties. This paper describes the use of the FT-IR spectroscopy technique for the quantification of total lactones present in Inula racemosa and Andrographis paniculata. To validate the FT-IR spectroscopy method for quantification of total lactones in I. racemosa and A. paniculata. Dried and powdered I. racemosa roots and A. paniculata plant were extracted with ethanol and dried to remove ethanol completely. The ethanol extract was analysed in a KBr pellet by FT-IR spectroscopy. The FT-IR spectroscopy method was validated and compared with a known spectrophotometric method for quantification of lactones in A. paniculata. By FT-IR spectroscopy, the amount of total lactones was found to be 2.12 ± 0.47% (n = 3) in I. racemosa and 8.65 ± 0.51% (n = 3) in A. paniculata. The method showed comparable results with a known spectrophotometric method used for quantification of such lactones: 8.42 ± 0.36% (n = 3) in A. paniculata. Limits of detection and quantification for isoallantolactone were 1 µg and 10 µg respectively; for andrographolide they were 1.5 µg and 15 µg respectively. Recoveries were over 98%, with good intra- and interday repeatability: RSD ≤ 2%. The FT-IR spectroscopy method proved linear, accurate, precise and specific, with low limits of detection and quantification, for estimation of total lactones, and is less tedious than the UV spectrophotometric method for the compounds tested. This validated FT-IR spectroscopy method is readily applicable for the quality control of I. racemosa and A. paniculata. Copyright © 2011 John Wiley & Sons, Ltd.

  17. Detection and identification of bacteria in a juice matrix with Fourier transform-near infrared spectroscopy and multivariiate analysis.

    Science.gov (United States)

    Rodriguez-Saona, L E; Khambaty, F M; Fry, F S; Dubois, J; Calvey, E M

    2004-11-01

    The use of Fourier transform-near infrared (FT-NIR) spectroscopy combined with multivariate pattern recognition techniques was evaluated to address the need for a fast and senisitive method for the detection of bacterial contamination in liquids. The complex cellular composition of bacteria produces FT-NIR vibrational transitions (overtone and combination bands), forming the basis for identification and subtyping. A database including strains of Escherichia coli, Pseudomonas aeruginosa, Bacillus subtilis, Bacillus cereus, and Bacillus thuringiensis was built, with special care taken to optimize sample preparation. The bacterial cells were treated with 70% (vol/vol) ethanolto enhance safe handling of pathogenic strains and then concentrated on an aluminum oxide membrane to obtain a thin bacterial film. This simple membrane filtration procedure generated reproducible FT-NIR spectra that allowed for the rapid discrimination among closely related strains. Principal component analysis and soft independent modeling of class analogy of transformed spectra in the region 5,100 to 4,400 cm(-1) were able to discriminate between bacterial species. Spectroscopic analysis of apple juices inoculated with different strains of E. coli at approximately 10(5) CFU/ml showed that FT-NIR spectralfeatures are consistent with bacterial contamination and soft independent modeling of class analogy correctly predicted the identity of the contaminant as strains of E. coli. FT-NIR in conjunction with multivariate techniques can be used for the rapid and accurate evaluation of potential bacterial contamination in liquids with minimal sample manipulation, and hence limited exposure of the laboratory worker to the agents.

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

    Science.gov (United States)

    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

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

    Science.gov (United States)

    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.

  20. Structural evolution of nanoporous silica thin films studied by positron annihilation spectroscopy and Fourier transform infrared spectroscopy

    International Nuclear Information System (INIS)

    Patel, N; Mariazzi, S; Toniutti, L; Checchetto, R; Miotello, A; Dire, S; Brusa, R S

    2007-01-01

    Three series of silica thin films with thicknesses in the 300 nm range were deposited by spin coating on Si substrates using different compositions of the sol precursors. Film samples were thermally treated in static air at temperatures ranging from 300 to 900 deg. C. The effect of sol precursors and thermal treatment temperature on the film porosity was analysed by Fourier transform infrared (FTIR) spectroscopy, depth profiling with positron annihilation spectroscopy (DP-PAS) and the analysis of the capacitance-voltage (C-V) characteristic. The maximum of the total porosity was found to occur at a temperature of 600 deg. C when removal of porogen and OH groups was completed. Film densification due to the collapsing of the pores was observed after drying at 900 deg. C. DP-PAS provides evidence that the increase in the total porosity is related to a progressive increase in the pore size. The increase in the pore size never gives rise to the onset of connected porosity. In the silica film samples prepared using a low acidity sol precursor, the pore size is always lower than 1 nm. By increasing the acid catalyst ratio in the sol, larger pores are formed. Pores with size larger than 2.3 nm can be obtained by adding porogen to the sol. In each series of silica film samples the shift of the antisymmetric Si-O-Si transversal optical (TO 3 ) mode upon thermal treatment correlates with a change of the pore size as evidenced by DP-PAS analysis. The pore microstructure of the three series of silica films is different at all the examined treatment temperatures and depends on the composition of the precursor sol

  1. Structural evolution of nanoporous silica thin films studied by positron annihilation spectroscopy and Fourier transform infrared spectroscopy

    Science.gov (United States)

    Patel, N.; Mariazzi, S.; Toniutti, L.; Checchetto, R.; Miotello, A.; Dirè, S.; Brusa, R. S.

    2007-09-01

    Three series of silica thin films with thicknesses in the 300 nm range were deposited by spin coating on Si substrates using different compositions of the sol precursors. Film samples were thermally treated in static air at temperatures ranging from 300 to 900 °C. The effect of sol precursors and thermal treatment temperature on the film porosity was analysed by Fourier transform infrared (FTIR) spectroscopy, depth profiling with positron annihilation spectroscopy (DP-PAS) and the analysis of the capacitance-voltage (C-V) characteristic. The maximum of the total porosity was found to occur at a temperature of 600 °C when removal of porogen and OH groups was completed. Film densification due to the collapsing of the pores was observed after drying at 900 °C. DP-PAS provides evidence that the increase in the total porosity is related to a progressive increase in the pore size. The increase in the pore size never gives rise to the onset of connected porosity. In the silica film samples prepared using a low acidity sol precursor, the pore size is always lower than 1 nm. By increasing the acid catalyst ratio in the sol, larger pores are formed. Pores with size larger than 2.3 nm can be obtained by adding porogen to the sol. In each series of silica film samples the shift of the antisymmetric Si-O-Si transversal optical (TO3) mode upon thermal treatment correlates with a change of the pore size as evidenced by DP-PAS analysis. The pore microstructure of the three series of silica films is different at all the examined treatment temperatures and depends on the composition of the precursor sol.

  2. Analytical method development and validation for quantification of uranium by Fourier Transform Infrared Spectroscopy (FTIR) for routine quality control analysis

    International Nuclear Information System (INIS)

    Pereira, Elaine; Silva, Ieda de S.; Gomide, Ricardo G.; Pires, Maria Aparecida F.

    2015-01-01

    This work presents a low cost, simple and new methodology for direct determination uranium in different matrices uranium: organic phase (UO 2 (NO 3 ) 2 .2TBP - uranyl nitrate complex) and aqueous phase (UO 2 (NO 3 ) 2 - NTU - uranyl nitrate), based on Fourier Transform Infrared spectroscopy (FTIR) using KBr pellets technique. The analytical validation is essential to define if a developed methodology is completely adjusted to the objectives that it is destined and is considered one of the main instruments of quality control. The parameters used in the validation process were: selectivity, linearity, limits of detection (LD) and quantitation (LQ), precision (repeatability and intermediate precision), accuracy and robustness. The method for uranium in organic phase (UO 2 (NO 3 ) 2 .2TBP in hexane/embedded in KBr) was linear (r=0.9989) over the range of 1.0 g L -1 a 14.3 g L -1 , LD were 92.1 mg L -1 and LQ 113.1 mg L -1 , precision (RSD < 1.6% and p-value < 0.05), accurate (recovery of 100.1% - 102.9%). The method for uranium aqueous phase (UO 2 (NO 3 )2/embedded in KBr) was linear (r=0.9964) over the range of 5.4 g L -1 a 51.2 g L -1 , LD were 835 mg L -1 and LQ 958 mg L -1 , precision (RSD < 1.0% and p-value < 0.05), accurate (recovery of 99.1% - 102.0%). The FTIR method is robust regarding most of the variables analyzed, as the difference between results obtained under nominal and modified conditions were lower than the critical value for all analytical parameters studied. Some process samples were analyzed in FTIR and compared with gravimetric and x ray fluorescence (XRF) analyses showing similar results in all three methods. The statistical tests (Student-t and Fischer) showed that the techniques are equivalent. (author)

  3. Integrated Fourier transform infrared spectroscopy and gas chromatography tandem mass spectrometry for forensic engine lubricating oil and biodiesel analysis

    International Nuclear Information System (INIS)

    Shang, D.

    2009-01-01

    Gas chromatography/mass spectrometry(GC/MS) is commonly used for oil fingerprinting and provides investigators with good forensic data. However, new challenges face oil spill forensic chemistry with the growing use of biodiesel as well as the recycling and reprocessing of used oil, particularly lubricating oils. This paper demonstrated that Fourier transform infrared (FTIR) spectroscopy may be a fast, cost effective and complementary method for forensic analysis of biodiesels (fatty acid methyl esters) and lubricating oils. Attenuated total reflectance (ATR)-FTIR spectroscopy was shown to be an interesting analytic method because of its use in monitoring and quantifying minor chemical compounds in sample matrices and its ability to identify a broad range or organic compounds. Unlike chromatography, FTIR spectroscopy with ATR can provide results without compound separation or lengthy sample preparation steps. This study described the combined use of GC and ATR-FTIR in environmental oil spill identification through the matching of source lube oil samples with artificially weathered samples. Samples recovered from a biodiesel spill incident were also investigated. ATR-FTIR provided detailed spectral information for rapid lube oil differentiation. This study was part of a continuing effort to develop a methodology to deal with chemical spills of unknown origin, which is an important aspect in environmental protection and emergency preparedness. This method was only successfully applied to the short term artificially weathered and fresh lube oil characterization, and to limited cases of biodiesel spills. It was concluded that further validation tests are needed to determine if this method can be applied to real-world weather lube oil samples. 10 refs., 11 figs.

  4. Detection and differentiation of bacterial spores in a mineral matrix by Fourier transform infrared spectroscopy (FTIR and chemometrical data treatment

    Directory of Open Access Journals (Sweden)

    Brandes Ammann Andrea

    2011-07-01

    Full Text Available Abstract Background Fourier transform infrared spectroscopy (FTIR has been used as analytical tool in chemistry for many years. In addition, FTIR can also be applied as a rapid and non-invasive method to detect and identify microorganisms. The specific and fingerprint-like spectra allow - under optimal conditions - discrimination down to the species level. The aim of this study was to develop a fast and reproducible non-molecular method to differentiate pure samples of Bacillus spores originating from different species as well as to identify spores in a simple matrix, such as the clay mineral, bentonite. Results We investigated spores from pure cultures of seven different Bacillus species by FTIR in reflection or transmission mode followed by chemometrical data treatment. All species investigated (B. atrophaeus, B. brevis, B. circulans, B. lentus, B. megaterium, B. subtilis, B. thuringiensis are typical aerobic soil-borne spore formers. Additionally, a solid matrix (bentonite and mixtures of benonite with spores of B. megaterium at various wt/wt ratios were included in the study. Both hierarchical cluster analysis and principal component analysis of the spectra along with multidimensional scaling allowed the discrimination of different species and spore-matrix-mixtures. Conclusions Our results show that FTIR spectroscopy is a fast method for species-level discrimination of Bacillus spores. Spores were still detectable in the presence of the clay mineral bentonite. Even a tenfold excess of bentonite (corresponding to 2.1 × 1010 colony forming units per gram of mineral matrix still resulted in an unambiguous identification of B. megaterium spores.

  5. Structures of aspartic acid-96 in the L and N intermediates of bacteriorhodopsin: analysis by Fourier transform infrared spectroscopy

    Science.gov (United States)

    Maeda, A.; Sasaki, J.; Shichida, Y.; Yoshizawa, T.; Chang, M.; Ni, B.; Needleman, R.; Lanyi, J. K.

    1992-01-01

    The light-induced difference Fourier transform infrared spectrum between the L or N intermediate minus light-adapted bacteriorhodopsin (BR) was measured in order to examine the protonated states and the changes in the interactions of carboxylic acids of Asp-96 and Asp-115 in these intermediates. Vibrational bands due to the protonated and unprotonated carboxylic acid were identified by isotope shift and band depletion upon substitution of Asp-96 or -115 by asparagine. While the signal due to the deprotonation of Asp-96 was clearly observed in the N intermediate, this residue remained protonated in L. Asp-115 was partially deprotonated in L. The C = O stretching vibration of protonated Asp-96 of L showed almost no shift upon 2H2O substitution, in contrast to the corresponding band of Asp-96 or Asp-115 of BR, which shifted by 9-12 cm-1 under the same conditions. In the model system of acetic acid in organic solvents, such an absence of the shift of the C = O stretching vibration of the protonated carboxylic acid upon 2H2O substitution was seen only when the O-H of acetic acid is hydrogen-bonded. The non-hydrogen-bonded monomer showed the 2H2O-dependent shift. Thus, the O-H bond of Asp-96 enters into hydrogen bonding upon conversion of BR to L. Its increased hydrogen bonding in L is consistent with the observed downshift of the O-H stretching vibration of the carboxylic acid of Asp-96.

  6. In-line Fourier-transform infrared spectroscopy as a versatile process analytical technology for preparative protein chromatography.

    Science.gov (United States)

    Großhans, Steffen; Rüdt, Matthias; Sanden, Adrian; Brestrich, Nina; Morgenstern, Josefine; Heissler, Stefan; Hubbuch, Jürgen

    2018-04-27

    Fourier-transform infrared spectroscopy (FTIR) is a well-established spectroscopic method in the analysis of small molecules and protein secondary structure. However, FTIR is not commonly applied for in-line monitoring of protein chromatography. Here, the potential of in-line FTIR as a process analytical technology (PAT) in downstream processing was investigated in three case studies addressing the limits of currently applied spectroscopic PAT methods. A first case study exploited the secondary structural differences of monoclonal antibodies (mAbs) and lysozyme to selectively quantify the two proteins with partial least squares regression (PLS) giving root mean square errors of cross validation (RMSECV) of 2.42 g/l and 1.67 g/l, respectively. The corresponding Q 2 values are 0.92 and, respectively, 0.99, indicating robust models in the calibration range. Second, a process separating lysozyme and PEGylated lysozyme species was monitored giving an estimate of the PEGylation degree of currently eluting species with RMSECV of 2.35 g/l for lysozyme and 1.24 g/l for PEG with Q 2 of 0.96 and 0.94, respectively. Finally, Triton X-100 was added to a feed of lysozyme as a typical process-related impurity. It was shown that the species could be selectively quantified from the FTIR 3D field without PLS calibration. In summary, the proposed PAT tool has the potential to be used as a versatile option for monitoring protein chromatography. It may help to achieve a more complete implementation of the PAT initiative by mitigating limitations of currently used techniques. Copyright © 2018 The Authors. Published by Elsevier B.V. All rights reserved.

  7. The effect of mutations on the structure of insulin fibrils studied by Fourier transform infrared (FTIR) spectroscopy and electron microscopy.

    Science.gov (United States)

    Garriques, Liza Nielsen; Frokjaer, Sven; Carpenter, John F; Brange, Jens

    2002-12-01

    Fibril formation (aggregation) of human and bovine insulin and six human insulin mutants in hydrochloric acid were investigated by visual inspection, Thioflavin T fluorescence spectroscopy, transmission electron microscopy (TEM), and Fourier transform infrared (FTIR) spectroscopy. The fibrillation tendencies of the wild-type insulins and the insulin mutants were (in order of decreasing fibrillation tendencies): Glu(B1) + Glu(B27) = bovine < human < des-(B1,B2)-insulin < Ser(B2) + Asp(B10) < Glu(A13) + Glu(B10) = Gln(B17) < Asp(B10). Transmission electron micrographs showed that the protofibrils of the mutants were similar to those of wild-type insulins and had a diameter of 5-10 nm and lengths varying from 50 nm to several microns. The fibrils of human insulin mutants exhibited varying degrees of lateral aggregation. The Asp(B10) mutant and human insulin had greater tendency to form laterally aggregated fibrils arranged in parallel bundles, whereas fibrils of the other mutants and bovine insulin were mainly arranged in helical filaments. FTIR spectroscopy showed that the native secondary structure of the wild-type insulins and the human insulin mutants in hydrochloric acid were identical, whereas the secondary structure of the fibrils formed by heating at 50 degrees C depended on the amino acid substitution. FTIR spectra of fibrils of the human insulin mutants exhibited different beta-sheet bands at 1,620-1,640 cm(-1), indicating that the beta-sheet interactions in the fibrils depended on variations in the primary structure of insulin. Copyright 2002 Wiley-Liss, Inc. and the American Pharmaceutical Association J Pharm Sci 91:2473-2480, 2002

  8. Rapid quantification of casein in skim milk using Fourier transform infrared spectroscopy, enzymatic perturbation, and multiway partial least squares: Monitoring chymosin at work

    DEFF Research Database (Denmark)

    Baum, Andreas; Hansen, P. W.; Nørgaard, Lars

    2016-01-01

    In this study, we introduce enzymatic perturbation combined with Fourier transform infrared (FTIR) spectroscopy as a concept for quantifying casein in subcritical heated skim milk using chemometric multiway analysis. Chymosin is a protease that cleaves specifically caseins. As a result of hydroly......In this study, we introduce enzymatic perturbation combined with Fourier transform infrared (FTIR) spectroscopy as a concept for quantifying casein in subcritical heated skim milk using chemometric multiway analysis. Chymosin is a protease that cleaves specifically caseins. As a result...... of hydrolysis, all casein proteins clot to form a creamy precipitate, and whey proteins remain in the supernatant. We monitored the cheese-clotting reaction in real time using FTIR and analyzed the resulting evolution profiles to establish calibration models using parallel factor analysis and multiway partial...

  9. Angular acceptance analysis of an infrared focal plane array with a built-in stationary Fourier transform spectrometer.

    Science.gov (United States)

    Gillard, Frédéric; Ferrec, Yann; Guérineau, Nicolas; Rommeluère, Sylvain; Taboury, Jean; Chavel, Pierre

    2012-06-01

    Stationary Fourier transform spectrometry is an interesting concept for building reliable field or embedded spectroradiometers, especially for the mid- and far- IR. Here, a very compact configuration of a cryogenic stationary Fourier transform IR (FTIR) spectrometer is investigated, where the interferometer is directly integrated in the focal plane array (FPA). We present a theoretical analysis to explain and describe the fringe formation inside the FTIR-FPA structure when illuminated by an extended source positioned at a finite distance from the detection plane. The results are then exploited to propose a simple front lens design compatible with a handheld package.

  10. Dataset of Fourier transform-infrared coupled with chemometric analysis used to distinguish accessions of Garcinia mangostana L. in Peninsular Malaysia

    OpenAIRE

    Samsir, Sri A’jilah; Bunawan, Hamidun; Yen, Choong Chee; Noor, Normah Mohd

    2016-01-01

    In this dataset, we distinguish 15 accessions of Garcinia mangostana from Peninsular Malaysia using Fourier transform-infrared spectroscopy coupled with chemometric analysis. We found that the position and intensity of characteristic peaks at 3600–3100 cm−1 in IR spectra allowed discrimination of G. mangostana from different locations. Further principal component analysis (PCA) of all the accessions suggests the two main clusters were formed: samples from Johor, Melaka, and Negeri Sembilan (S...

  11. Correlation between Onset Oxidation Temperature (OOT) and Fourier Transform Infrared Spectroscopy (FTIR) for monitoring the restabilization of Recycled Low-density Polyethylene (LDPE)

    Energy Technology Data Exchange (ETDEWEB)

    Ruvolo-Filho, Adhemar; Pelozzi, Tadeu Luiz Alonso, E-mail: adhemar@power.ufscar.br [Universidade Federal de Sao Carlos (UFSCar), SP (Brazil). Departamento de Quimica

    2013-07-01

    In this work a new method was developed for monitoring the oxidative stability of restabilized and non-restabilized low-density polyethylene (LDPE) during multiple extrusion cycles. The method is based on correlations between Fourier Transform Infrared Spectroscopy (FTIR) and Onset Oxidation Temperature (OOT). Non-linear calibration curves correlating the concentration of primary or secondary antioxidants and the OOT values were obtained. (author)

  12. Digital double random amplitude image encryption method based on the symmetry property of the parametric discrete Fourier transform

    Science.gov (United States)

    Bekkouche, Toufik; Bouguezel, Saad

    2018-03-01

    We propose a real-to-real image encryption method. It is a double random amplitude encryption method based on the parametric discrete Fourier transform coupled with chaotic maps to perform the scrambling. The main idea behind this method is the introduction of a complex-to-real conversion by exploiting the inherent symmetry property of the transform in the case of real-valued sequences. This conversion allows the encrypted image to be real-valued instead of being a complex-valued image as in all existing double random phase encryption methods. The advantage is to store or transmit only one image instead of two images (real and imaginary parts). Computer simulation results and comparisons with the existing double random amplitude encryption methods are provided for peak signal-to-noise ratio, correlation coefficient, histogram analysis, and key sensitivity.

  13. In-situ spectroscopic investigation of transmissible spongiform encephalopathies: application of Fourier-transform infrared spectroscopy to a scrapie-hamster model

    Science.gov (United States)

    Kneipp, Janina; Lasch, Peter; Beekes, Michael; Naumann, Dieter

    2002-03-01

    Transmissible spongiform encephalopathies (TSE), such as BSE in cattle, scrapie in sheep and goats, and Creutzfeldt-Jakob disease in man are a group of fatal infectious diseases of the central nervous system that are far from being fully understood. Presuming the pathological changes to originate from small disease-specific compositional and structural modifications at the molecular level, Fourier-transform infrared (FTIR) spectroscopy can be used to achieve insight into biochemical parameters underlying pathogenesis. We have developed an FTIR microspectroscopy-based strategy which, as a combination of image reconstruction and multivariate pattern recognition methods, permitted the comparison of identical substructures in the cerebellum of healthy and TSE-infected Syrian hamsters in the terminal stage of the disease. Here we present FTIR data about the pathological changes of scrapie-infected and normal tissue of the gray matter structures stratum granulosum and stratum moleculare. IR spectroscopy was also applied to tissue pieces of the medulla oblongata of infected and control Syrian hamsters. Mapping data were analyzed with cluster analysis and imaging methods. We found variations in the spectra of the infected tissue, which are due to changes in carbohydrates, nucleic acids, phospholipids, and proteins.

  14. Characterization of near-infrared nonmetal atomic emission from an atmospheric helium microwave-induced plasma using a Fourier transform spectrophotometer

    International Nuclear Information System (INIS)

    Hubert, J.; Van Tra, H.; Chi Tran, K.; Baudais, F.L.

    1986-01-01

    A new approach for using Fourier transform spectroscopy (FTS) for the detection of atomic emission from an atmospheric helium plasma has been developed and the results obtained are described. Among the different types of plasma source available, the atmospheric pressure microwave helium plasma appears to be an efficient excitation source for the determination of nonmetal species. The more complete microwave plasma emission spectra of Cl, Br, I, S, O, P, C, N, and He in the near-infrared region were obtained and their corrected relative emission intensities are reported. This makes qualitative identification simple, and aids in the quantitative analysis of atomic species. The accuracy of the emission wavelengths obtained with the Fourier transform spectrophotometer was excellent and the resolution provided by the FTS allowed certain adjacent emission lines to be adequate for analytical applications

  15. Structural alterations in rat liver proteins due to streptozotocin-induced diabetes and the recovery effect of selenium: Fourier transform infrared microspectroscopy and neural network study

    Science.gov (United States)

    Bozkurt, Ozlem; Haman Bayari, Sevgi; Severcan, Mete; Krafft, Christoph; Popp, Jürgen; Severcan, Feride

    2012-07-01

    The relation between protein structural alterations and tissue dysfunction is a major concern as protein fibrillation and/or aggregation due to structural alterations has been reported in many disease states. In the current study, Fourier transform infrared microspectroscopic imaging has been used to investigate diabetes-induced changes on protein secondary structure and macromolecular content in streptozotocin-induced diabetic rat liver. Protein secondary structural alterations were predicted using neural network approach utilizing the amide I region. Moreover, the role of selenium in the recovery of diabetes-induced alterations on macromolecular content and protein secondary structure was also studied. The results revealed that diabetes induced a decrease in lipid to protein and glycogen to protein ratios in diabetic livers. Significant alterations in protein secondary structure were observed with a decrease in α-helical and an increase in β-sheet content. Both doses of selenium restored diabetes-induced changes in lipid to protein and glycogen to protein ratios. However, low-dose selenium supplementation was not sufficient to recover the effects of diabetes on protein secondary structure, while a higher dose of selenium fully restored diabetes-induced alterations in protein structure.

  16. A single-beam titration method for the quantification of open-path Fourier transform infrared spectroscopy

    International Nuclear Information System (INIS)

    Sung, Lung-Yu; Lu, Chia-Jung

    2014-01-01

    This study introduced a quantitative method that can be used to measure the concentration of analytes directly from a single-beam spectrum of open-path Fourier Transform Infrared Spectroscopy (OP-FTIR). The peak shapes of the analytes in a single-beam spectrum were gradually canceled (i.e., “titrated”) by dividing an aliquot of a standard transmittance spectrum with a known concentration, and the sum of the squared differential synthetic spectrum was calculated as an indicator for the end point of this titration. The quantity of a standard transmittance spectrum that is needed to reach the end point can be used to calculate the concentrations of the analytes. A NIST traceable gas standard containing six known compounds was used to compare the quantitative accuracy of both this titration method and that of a classic least square (CLS) using a closed-cell FTIR spectrum. The continuous FTIR analysis of industrial exhausting stack showed that concentration trends were consistent between the CLS and titration methods. The titration method allowed the quantification to be performed without the need of a clean single-beam background spectrum, which was beneficial for the field measurement of OP-FTIR. Persistent constituents of the atmosphere, such as NH 3 , CH 4 and CO, were successfully quantified using the single-beam titration method with OP-FTIR data that is normally inaccurate when using the CLS method due to the lack of a suitable background spectrum. Also, the synthetic spectrum at the titration end point contained virtually no peaks of analytes, but it did contain the remaining information needed to provide an alternative means of obtaining an ideal single-beam background for OP-FTIR. - Highlights: • Establish single beam titration quantification method for OP-FTIR. • Define the indicator for the end-point of spectrum titration. • An ideal background spectrum can be obtained using single beam titration. • Compare the quantification between titration

  17. Alteration of the bone tissue material properties in type 1 diabetes mellitus: A Fourier transform infrared microspectroscopy study.

    Science.gov (United States)

    Mieczkowska, Aleksandra; Mansur, Sity Aishah; Irwin, Nigel; Flatt, Peter R; Chappard, Daniel; Mabilleau, Guillaume

    2015-07-01

    Type 1 diabetes mellitus (T1DM) is a severe disorder characterized by hyperglycemia and hypoinsulinemia. A higher occurrence of bone fractures has been reported in T1DM, and although bone mineral density is reduced in this disorder, it is also thought that bone quality may be altered in this chronic pathology. Vibrational microscopies such as Fourier transform infrared microspectroscopy (FTIRM) represent an interesting approach to study bone quality as they allow investigation of the collagen and mineral compartment of the extracellular matrix in a specific bone location. However, as spectral feature arising from the mineral may overlap with those of the organic component, the demineralization of bone sections should be performed for a full investigation of the organic matrix. The aims of the present study were to (i) develop a new approach, based on the demineralization of thin bone tissue section to allow a better characterization of the bone organic component by FTIRM, (ii) to validate collagen glycation and collagen integrity in bone tissue and (iii) to better understand what alterations of tissue material properties in newly forming bone occur in T1DM. The streptozotocin-injected mouse (150 mg/kg body weight, injected at 8 weeks old) was used as T1DM model. Animals were randomly allocated to control (n = 8) or diabetic (n = 10) groups and were sacrificed 4 weeks post-STZ injection. Bones were collected at necropsy, embedded in polymethylmethacrylate and sectioned prior to examination by FTIRM. FTIRM collagen parameters were collagen maturity (area ratio between 1660 and 1690 cm(-1) subbands), collagen glycation (area ratio between the 1032 cm(-1) subband and amide I) and collagen integrity (area ratio between the 1338 cm(-1) subband and amide II). No significant differences in the mineral compartment of the bone matrix could be observed between controls and STZ-injected animals. On the other hand, as compared with controls, STZ-injected animals presented with

  18. Investigation of Tropospheric Pollutants and Stratospheric Ozone Using Infrared Fourier Transform Spectrometers from the Ground, Space and Balloons

    Science.gov (United States)

    Griffin, Debora

    This thesis focusses on transport and composition of boreal fire plumes, evolution of trace gases in the Arctic, multi-year comparisons of ground-based and satellite-borne instruments, and depletion of Arctic ozone. Two similar Fourier Transform Spectrometer (FTS) instruments were utilized: (1) the ground-based and balloon-borne Portable Atmospheric Research Interferometric Spectrometer for the InfraRed (PARIS-IR) and (2) the space-borne Atmospheric Chemistry Experiment (ACE) FTS. Additional datasets, from other satellite and ground-based instruments, as well as Chemical Transport Models (CTMs) complemented the analysis. Transport and composition of boreal fire plumes were analysed with PARIS-IR measurements taken in Halifax, Nova Scotia. This study analysed the retrievals of different FTSs and investigated transport and composition of a smoke plume utilizing various models. The CO retrievals of three different FTSs (PARIS-IR, DA8, and IASI) were consistent and detected a smoke plume between 19 and 21 July 2011. These measurements were similar to the concentrations computed by GEOS-Chem ( 3% for CO and 8% for C2H6). Multi-year comparisons (2006-2013) of ground-based and satellite-borne FTSs near Eureka, Nunavut were carried out utilizing measurements from PARIS-IR, the Bruker 125HR and ACEFTS. The mean and interannual differences between the datasets were investigated for eight species (ozone, HCl, HNO3, HF, CH4, N2O, CO, and C2H6) and good agreement between these instruments was found. Furthermore, the evolution of the eight gases was investigated and increasing ozone, HCl, HF, CH4 and C2H6 were found. Springtime Arctic ozone depletion was studied, where six different methods to estimate ozone depletion were evaluated using the ACE-FTS dataset. It was shown that CH4, N2O, HF, and CCl2F2 are suitable tracers to estimate the ozone loss. The loss estimates (mixing ratio and partial column) are consistent for all six methods. Finally, PARIS-IR was prepared for a

  19. Quantitation of pulmonary nodule's border structure by means of Fourier transform by using chest X-ray CT images

    International Nuclear Information System (INIS)

    Shikata, Hidenori; Masuyama, Hiroshi; Kido, Shoji

    1998-01-01

    In order to evaluate quantitatively the border structure of pulmonary nodules by using chest X-ray CT images, we investigated whether the sum of high-frequency elements of the power spectrum in a Fourier-transformed nodule's contour line becomes a valuable measure of the border structure of pulmonary nodules. We expect that this measure clearly reflects the radiologic characteristics of a nodule, that is, the contour line is clear or unclear in benign or malignant nodules, respectively. We evaluated and analyzed images statistically for 31 patients (15 benign, 16 malignant), and we were able to recognize a measurable difference between the benign and malignant cases. We conclude that we can evaluate the border structure of a nodule by our proposed measure, and that this measure is valuable for quantitative differential diagnosis. (author)

  20. Algorithm for three dimension reconstruction of magnetic resonance tomographs and X-ray images based on Fast Fourier Transform

    International Nuclear Information System (INIS)

    Bueno, Josiane M.; Traina, Agma Juci M.; Cruvinel, Paulo E.

    1995-01-01

    This work presents an algorithm for three-dimensional digital image reconstruction. Such algorithms based on the combination of both a Fast Fourier Transform method with Hamming Window and the use of a tri-linear interpolation function. The algorithm allows not only the generation of three-dimensional spatial spin distribution maps for Magnetic Resonance Tomography data but also X and Y-rays linear attenuation coefficient maps for CT scanners. Results demonstrates the usefulness of the algorithm in three-dimensional image reconstruction by doing first two-dimensional reconstruction and rather after interpolation. The algorithm was developed in C++ language, and there are two available versions: one under the DOS environment, and the other under the UNIX/Sun environment. (author)

  1. Step-scan Fourier transform infrared (FTIR) spectrometer for investigating chemical reactions of energy-related materials. Final report, April 1, 1995--March 31, 1997

    Energy Technology Data Exchange (ETDEWEB)

    Eyring, E.M.

    1997-11-04

    Two step-scan Fourier transform infrared (FTIR) spectrometers were purchased with URI-DOE funds by the University of Utah. These infrared spectrometers have been used to carry out the following investigations: the determination of strength of adsorption of organic molecules at the liquid-solid interface of coated attenuated total reflectance (ATR) elements, the kinetic study of the photoinitiated polymerization of a dental resin, the exploration of the kinetics of photochemical reactions of organic molecules in solution, and the development of a stopped-flow FTIR interface for measuring rates and mechanisms of reactions in solution that are not photoinitiated and do not have convenient ultraviolet-visible spectral features.

  2. Analysis of Chuanxiong Rhizoma and its active components by Fourier transform infrared spectroscopy combined with two-dimensional correlation infrared spectroscopy.

    Science.gov (United States)

    Guo, Yizhen; Lv, Beiran; Wang, Jingjuan; Liu, Yang; Sun, Suqin; Xiao, Yao; Lu, Lina; Xiang, Li; Yang, Yanfang; Qu, Lei; Meng, Qinghong

    2016-01-15

    As complicated mixture systems, active components of Chuanxiong Rhizoma are very difficult to identify and discriminate. In this paper, the macroscopic IR fingerprint method including Fourier transform infrared spectroscopy (FT-IR), the second derivative infrared spectroscopy (SD-IR) and two-dimensional correlation infrared spectroscopy (2DCOS-IR), was applied to study and identify Chuanxiong raw materials and its different segmented production of HPD-100 macroporous resin. Chuanxiong Rhizoma is rich in sucrose. In the FT-IR spectra, water eluate is more similar to sucrose than the powder and the decoction. Their second derivative spectra amplified the differences and revealed the potentially characteristic IR absorption bands and combined with the correlation coefficient, concluding that 50% ethanol eluate had more ligustilide than other eluates. Finally, it can be found from 2DCOS-IR spectra that proteins were extracted by ethanol from Chuanxiong decoction by HPD-100 macroporous resin. It was demonstrated that the above three-step infrared spectroscopy could be applicable for quick, non-destructive and effective analysis and identification of very complicated and similar mixture systems of traditional Chinese medicines. Copyright © 2015 Elsevier B.V. All rights reserved.

  3. Chemical profiling and adulteration screening of Aquilariae Lignum Resinatum by Fourier transform infrared (FT-IR) spectroscopy and two-dimensional correlation infrared (2D-IR) spectroscopy

    Science.gov (United States)

    Qu, Lei; Chen, Jian-bo; Zhang, Gui-Jun; Sun, Su-qin; Zheng, Jing

    2017-03-01

    As a kind of expensive perfume and valuable herb, Aquilariae Lignum Resinatum (ALR) is often adulterated for economic motivations. In this research, Fourier transform infrared (FT-IR) spectroscopy is employed to establish a simple and quick method for the adulteration screening of ALR. First, the principal chemical constituents of ALR are characterized by FT-IR spectroscopy at room temperature and two-dimensional correlation infrared (2D-IR) spectroscopy with thermal perturbation. Besides the common cellulose and lignin compounds, a certain amount of resin is the characteristic constituent of ALR. Synchronous and asynchronous 2D-IR spectra indicate that the resin (an unstable secondary metabolite) is more sensitive than cellulose and lignin (stable structural constituents) to the thermal perturbation. Using a certified ALR sample as the reference, the infrared spectral correlation threshold is determined by 30 authentic samples and 6 adulterated samples. The spectral correlation coefficient of an authentic ALR sample to the standard reference should be not less than 0.9886 (p = 0.01). Three commercial adulterated ALR samples are identified by the correlation threshold. Further interpretation of the infrared spectra of the adulterated samples indicates the common adulterating methods - counterfeiting with other kind of wood, adding ingredient such as sand to increase the weight, and adding the cheap resin such as rosin to increase the content of resin compounds. Results of this research prove that FT-IR spectroscopy can be used as a simple and accurate quality control method of ALR.

  4. Fractional finite Fourier transform.

    Science.gov (United States)

    Khare, Kedar; George, Nicholas

    2004-07-01

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

  5. Fourier transform NMR

    International Nuclear Information System (INIS)

    Hallenga, K.

    1991-01-01

    This paper discusses the concept of Fourier transformation one of the many precious legacies of the French mathematician Jean Baptiste Joseph Fourier, essential for understanding the link between continuous-wave (CW) and Fourier transform (FT) NMR. Although in modern FT NMR the methods used to obtain a frequency spectrum from the time-domain signal may vary greatly, from the efficient Cooley-Tukey algorithm to very elaborate iterative least-square methods based other maximum entropy method or on linear prediction, the principles for Fourier transformation are unchanged and give invaluable insight into the interconnection of many pairs of physical entities called Fourier pairs

  6. Fourier Transform Mass Spectrometry

    Science.gov (United States)

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

    2011-01-01

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

  7. Evaluation of alias-less reconstruction by pseudo-parallel imaging in a phase-scrambling fourier transform technique

    International Nuclear Information System (INIS)

    Ito, Satoshi; Kawawa, Yasuhiro; Yamada, Yoshifumi

    2010-01-01

    We propose an image reconstruction technique in which parallel image reconstruction is performed based on the sensitivity encoding (SENSE) algorithm using only a single set of signals. The signal obtained in the phase-scrambling Fourier transform (PSFT) imaging technique can be transformed to the signal described by the Fresnel transform of the objects, which is known as the diffracted wave-front equation of the object in acoustics or optics. Since the Fresnel transform is a convolution integral on the object space, the space where the PSFT signal exists can be considered as both in the Fourier domain and in the object domain. This notable feature indicates that weighting functions corresponding to the sensitivity of radiofrequency (RF) coils can be approximately given in the PSFT signal space. Therefore, we can obtain two folded images from a single set of signals with different weighting functions, and image reconstruction based on the SENSE parallel imaging algorithm is possible using a series of folded images. Simulation and experimental studies showed that almost alias-free images can be synthesized using a single signal that does not satisfy the sampling theorem. (author)

  8. Selection for milk coagulation properties predicted by Fourier transform infrared spectroscopy in the Italian Holstein-Friesian breed.

    Science.gov (United States)

    Chessa, S; Bulgari, O; Rizzi, R; Calamari, L; Bani, P; Biffani, S; Caroli, A M

    2014-07-01

    Milk coagulation is based on a series of physicochemical changes at the casein micelle level, resulting in formation of a gel. Milk coagulation properties (MCP) are relevant for cheese quality and yield, important factors for the dairy industry. They are also evaluated in herd bulk milk to reward or penalize producers of Protected Designation of Origin cheeses. The economic importance of improving MCP justifies the need to account for this trait in the selection process. A pilot study was carried out to determine the feasibility of including MCP in the selection schemes of the Italian Holstein. The MCP were predicted in 1,055 individual milk samples collected in 16 herds (66 ± 24 cows per herd) located in Brescia province (northeastern Italy) by means of Fourier transform infrared (FTIR) spectroscopy. The coefficient of determination of prediction models indicated moderate predictions for milk rennet coagulation time (RCT=0.65) and curd firmness (a₃₀=0.68), and poor predictions for curd-firming time (k₂₀=0.49), whereas the range error ratio (8.9, 6.9, and 9.5 for RCT, k₂₀, and a₃₀, respectively) indicated good practical utility of the predictive models for all parameters. Milk proteins were genotyped and casein haplotypes (αS₁-, β-, αS₂-, and κ-casein) were reconstructed. Data from 51 half-sib families (19.9 ± 16.4 daughters per sire) were analyzed by an animal model to estimate (1) the genetic parameters of predicted RCT, k₂₀, and a₃₀; (2) the breeding values for these predicted clotting variables; and (3) the effect of milk protein genotypes and casein haplotypes on predicted MCP (pMCP). This is the first study to estimate both genetic parameters and breeding values of pMCP, together with the effects of milk protein genotypes and casein haplotypes, that also considered k₂₀, probably the most important parameter for the dairy industry (because it indicates the time for the beginning of curd-cutting). Heritability of predicted

  9. [Apply fourier transform infrared spectra coupled with two-dimensional correlation analysis to study the evolution of humic acids during composting].

    Science.gov (United States)

    Bu, Gui-jun; Yu, Jing; Di, Hui-hui; Luo, Shi-jia; Zhou, Da-zhai; Xiao, Qiang

    2015-02-01

    The composition and structure of humic acids formed during composting play an important influence on the quality and mature of compost. In order to explore the composition and evolution mechanism, municipal solid wastes were collected to compost and humic and fulvic acids were obtained from these composted municipal solid wastes. Furthermore, fourier transform infrared spectra and two-dimensional correlation analysis were applied to study the composition and transformation of humic and fulvic acids during composting. The results from fourier transform infrared spectra showed that, the composition of humic acids was complex, and several absorbance peaks were observed at 2917-2924, 2844-2852, 2549, 1662, 1622, 1566, 1454, 1398, 1351, 990-1063, 839 and 711 cm(-1). Compared to humic acids, the composition of fulvci acids was simple, and only three peaks were detected at 1725, 1637 and 990 cm(-1). The appearance of these peaks showed that both humic and fulvic acids comprised the benzene originated from lignin and the polysaccharide. In addition, humic acids comprised a large number of aliphatic and protein which were hardly detected in fulvic acids. Aliphatic, polysaccharide, protein and lignin all were degraded during composting, however, the order of degradation was different between humic and fulvci acids. The result from two-dimensional correlation analysis showed that, organic compounds in humic acids were degraded in the following sequence: aliphatic> protein> polysaccharide and lignin, while that in fulvic acids was as following: protein> polysaccharide and aliphatic. A large number of carboxyl, alcohols and ethers were formed during the degradation process, and the carboxyl was transformed into carbonates. It can be concluded that, fourier transform infrared spectra coupled with two-dimensional correlation analysis not only can analyze the function group composition of humic substances, but also can characterize effectively the degradation sequence of these

  10. Development and Evaluation of the Interferometric Monitor for Greenhouse Gases: a High-throughput Fourier-transform Infrared Radiometer for Nadir Earth Observation

    Science.gov (United States)

    Kobayashi, Hirokazu; Shimota, Akiro; Kondo, Kayoko; Okumura, Eisuke; Kameda, Yoshihiko; Shimoda, Haruhisa; Ogawa, Toshihiro

    1999-11-01

    The interferometric monitor for greenhouse gases (IMG) was the precursor of the high-resolution Fourier-transform infrared radiometer (FTIR) onboard a satellite for observation of the Earth. The IMG endured the stress of a rocket launch, demonstrating that the high-resolution, high-throughput spectrometer is indeed feasible for use onboard a satellite. The IMG adopted a newly developed lubricant-free magnetic suspension mechanism and a dynamic alignment system for the moving mirror with a maximum traveling distance of 10 cm. We present the instrumentation of the IMG, characteristics of the movable mirror drive system, and the evaluation results of sensor specifications during space operation.

  11. Analysis by Fourier Transform Infrared (FTIR) of the gamma radiation effect on epoxy resin, used as solidification agent of radioactive wastes

    International Nuclear Information System (INIS)

    Liu, C.H.; Riella, H.G.; Guedes, S.M.L.

    1995-01-01

    The effects of gamma radiation on Epoxy resin, used as solidification agent of radioactive wastes, were studied by Fourier Transform Infrared (FTIR). The spectra showed no significant modifications on Epoxy resin functional groups (irradiated with dose from 0 to 1 MGy). Up to 1 MGy Epoxy resin did not oxidize, confirming the Epoxy good radiation strength. The presence of aromatic chain and amine group, mainly tertiary amine, give good radiolytic stability to the Epoxy, increasing the interest to use this material in nuclear facilities. (author). 3 refs, 2 figs

  12. Interactions between magnetic nanoparticles and model lipid bilayers—Fourier transformed infrared spectroscopy (FTIR) studies of the molecular basis of nanotoxicity

    Science.gov (United States)

    Krecisz, M.; Rybka, J. D.; Strugała, A. J.; Skalski, B.; Figlerowicz, M.; Kozak, M.; Giersig, M.

    2016-09-01

    The toxicity of nanoparticles (nanotoxicity) is often associated with their interruption of biological membranes. The effect of polymer-coated magnetic nanoparticles (with different Fe3O4 core sizes and different polymeric coatings) on a model biological membrane system of vesicles formed by dimyristoylphosphatidylcholine (DMPC) was studied. Selected magnetic nanoparticles with core sizes ranging from 3 to 13 nm (in diameter) were characterised by transmission electron microscopy. Samples with 10% DMPC and different nanoparticle concentrations were studied by attenuated total reflectance—Fourier transform infrared spectroscopy to establish the influence of nanoparticles on the phase behaviour of model phospholipid systems.

  13. Fourier transform infrared spectroscopy, a new method for rapid determination of total organic and inorganic carbon and biogenic silica concentration in lake sediments

    DEFF Research Database (Denmark)

    Rosén, Peter; Vogel, Hendrik; Cunningham, Laura

    2010-01-01

    We demonstrate the use of Fourier transform infrared spectroscopy (FTIRS) to make quantitative measures of total organic carbon (TOC), total inorganic carbon (TIC) and biogenic silica (BSi) concentrations in sediment. FTIRS is a fast and cost-effective technique and only small sediment samples...... varied between r = 0.84-0.99 for TOC, r = 0.85-0.99 for TIC, and r = 0.68-0.94 for BSi. Because FTIR spectra contain information on a large number of both inorganic and organic components, there is great potential for FTIRS to become an important tool in paleolimnology....

  14. Quantification of Multiple Components of Complex Aluminum-Based Adjuvant Mixtures by Using Fourier Transform Infrared Spectroscopy and Partial Least Squares Modeling.

    Science.gov (United States)

    Dowling, Quinton M; Kramer, Ryan M

    2017-01-01

    Fourier transform infrared (FTIR) spectroscopy is widely used in the pharmaceutical industry for process monitoring, compositional quantification, and characterization of critical quality attributes in complex mixtures. Advantages over other spectroscopic measurements include ease of sample preparation, quantification of multiple components from a single measurement, and the ability to quantify optically opaque samples. This method describes the use of a multivariate model for quantifying a TLR4 agonist (GLA) adsorbed onto aluminum oxyhydroxide (Alhydrogel ® ) using FTIR spectroscopy that may be adapted to quantify other complex aluminum based adjuvant mixtures.

  15. Identification of copper-based green pigments in Jaume Huguet's Gothic altarpieces by Fourier transform infrared microspectroscopy and synchrotron radiation X-ray diffraction.

    Science.gov (United States)

    Salvadó, N; Pradell, T; Pantos, E; Papiz, M Z; Molera, J; Seco, M; Vendrell-Saz, M

    2002-07-01

    The scientific investigation of ancient paintings gives a unique insight into ancient painting techniques and their evolution through time and geographic location. This study deals with the identification of the green pigments used by one of the most important Catalan masters in Gothic times, Jaume Huguet. Other pigments and materials have also been characterized by means of conventional techniques such as optical microscopy, scanning electron microscopy and Fourier transform infrared spectroscopy. Synchrotron radiation X-ray diffraction has been used to produce maps of phases at a spatial resolution of 100 microm across chromatic layers.

  16. Structure of Co-Doped Alq3 thin films investigated by grazing incidence X-ray absorption fine structure and Fourier transform infrared spectroscopy.

    Science.gov (United States)

    Lin, Liang; Pang, Zhiyong; Fang, Shaojie; Wang, Fenggong; Song, Shumei; Huang, Yuying; Wei, Xiangjun; Yu, Haisheng; Han, Shenghao

    2011-02-10

    The structural properties of Co-doped tris(8-hydroxyquinoline)aluminum (Alq(3)) have been studied by grazing incidence X-ray absorption fine structure (GIXAFS) and Fourier transform infrared spectroscopy (FTIR). GIXAFS analysis suggests that there are multivalent Co-Alq(3) complexes and the doped Co atoms tend to locate at the attraction center with respect to N and O atoms and bond with them. The FTIR spectra indicate that the Co atoms interact with the meridional (mer) isomer of Alq(3) rather than forming inorganic compounds.

  17. Dataset of Fourier transform-infrared coupled with chemometric analysis used to distinguish accessions of Garcinia mangostana L. in Peninsular Malaysia.

    Science.gov (United States)

    Samsir, Sri A'jilah; Bunawan, Hamidun; Yen, Choong Chee; Noor, Normah Mohd

    2016-09-01

    In this dataset, we distinguish 15 accessions of Garcinia mangostana from Peninsular Malaysia using Fourier transform-infrared spectroscopy coupled with chemometric analysis. We found that the position and intensity of characteristic peaks at 3600-3100 cm(-) (1) in IR spectra allowed discrimination of G. mangostana from different locations. Further principal component analysis (PCA) of all the accessions suggests the two main clusters were formed: samples from Johor, Melaka, and Negeri Sembilan (South) were clustered together in one group while samples from Perak, Kedah, Penang, Selangor, Kelantan, and Terengganu (North and East Coast) were in another clustered group.

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

    Science.gov (United States)

    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.

  19. Asymmetric double-image encryption method by using iterative phase retrieval algorithm in fractional Fourier transform domain

    Science.gov (United States)

    Sui, Liansheng; Lu, Haiwei; Ning, Xiaojuan; Wang, Yinghui

    2014-02-01

    A double-image encryption scheme is proposed based on an asymmetric technique, in which the encryption and decryption processes are different and the encryption keys are not identical to the decryption ones. First, a phase-only function (POF) of each plain image is retrieved by using an iterative process and then encoded into an interim matrix. Two interim matrices are directly modulated into a complex image by using the convolution operation in the fractional Fourier transform (FrFT) domain. Second, the complex image is encrypted into the gray scale ciphertext with stationary white-noise distribution by using the FrFT. In the encryption process, three random phase functions are used as encryption keys to retrieve the POFs of plain images. Simultaneously, two decryption keys are generated in the encryption process, which make the optical implementation of the decryption process convenient and efficient. The proposed encryption scheme has high robustness to various attacks, such as brute-force attack, known plaintext attack, cipher-only attack, and specific attack. Numerical simulations demonstrate the validity and security of the proposed method.

  20. Raman and Fourier Transform Infrared (FT-IR) Mineral to Matrix Ratios Correlate with Physical Chemical Properties of Model Compounds and Native Bone Tissue.

    Science.gov (United States)

    Taylor, Erik A; Lloyd, Ashley A; Salazar-Lara, Carolina; Donnelly, Eve

    2017-10-01

    Raman and Fourier transform infrared (FT-IR) spectroscopic imaging techniques can be used to characterize bone composition. In this study, our objective was to validate the Raman mineral:matrix ratios (ν 1 PO 4 :amide III, ν 1 PO 4 :amide I, ν 1 PO 4 :Proline + hydroxyproline, ν 1 PO 4 :Phenylalanine, ν 1 PO 4 :δ CH 2 peak area ratios) by correlating them to ash fraction and the IR mineral:matrix ratio (ν 3 PO 4 :amide I peak area ratio) in chemical standards and native bone tissue. Chemical standards consisting of varying ratios of synthetic hydroxyapatite (HA) and collagen, as well as bone tissue from humans, sheep, and mice, were characterized with confocal Raman spectroscopy and FT-IR spectroscopy and gravimetric analysis. Raman and IR mineral:matrix ratio values from chemical standards increased reciprocally with ash fraction (Raman ν 1 PO 4 /Amide III: P Raman ν 1 PO 4 /Amide I: P Raman ν 1 PO 4 /Proline + Hydroxyproline: P Raman ν 1 PO 4 /Phenylalanine: P Raman ν 1 PO 4 /δ CH 2 : P Raman and IR mineral:matrix ratio values were strongly correlated ( P Raman mineral:matrix bone composition parameter correlates strongly to ash fraction and to its IR counterpart. Finally, the mineral:matrix ratio values of the native bone tissue are similar to those of both chemical standards and theoretical values, confirming the biological relevance of the chemical standards and the characterization techniques.

  1. Chemical profiling and adulteration screening of Aquilariae Lignum Resinatum by Fourier transform infrared (FT-IR) spectroscopy and two-dimensional correlation infrared (2D-IR) spectroscopy.

    Science.gov (United States)

    Qu, Lei; Chen, Jian-Bo; Zhang, Gui-Jun; Sun, Su-Qin; Zheng, Jing

    2017-03-05

    As a kind of expensive perfume and valuable herb, Aquilariae Lignum Resinatum (ALR) is often adulterated for economic motivations. In this research, Fourier transform infrared (FT-IR) spectroscopy is employed to establish a simple and quick method for the adulteration screening of ALR. First, the principal chemical constituents of ALR are characterized by FT-IR spectroscopy at room temperature and two-dimensional correlation infrared (2D-IR) spectroscopy with thermal perturbation. Besides the common cellulose and lignin compounds, a certain amount of resin is the characteristic constituent of ALR. Synchronous and asynchronous 2D-IR spectra indicate that the resin (an unstable secondary metabolite) is more sensitive than cellulose and lignin (stable structural constituents) to the thermal perturbation. Using a certified ALR sample as the reference, the infrared spectral correlation threshold is determined by 30 authentic samples and 6 adulterated samples. The spectral correlation coefficient of an authentic ALR sample to the standard reference should be not less than 0.9886 (p=0.01). Three commercial adulterated ALR samples are identified by the correlation threshold. Further interpretation of the infrared spectra of the adulterated samples indicates the common adulterating methods - counterfeiting with other kind of wood, adding ingredient such as sand to increase the weight, and adding the cheap resin such as rosin to increase the content of resin compounds. Results of this research prove that FT-IR spectroscopy can be used as a simple and accurate quality control method of ALR. Copyright © 2016 Elsevier B.V. All rights reserved.

  2. Automated processing of shoeprint images based on the Fourier transform for use in forensic science.

    Science.gov (United States)

    de Chazal, Philip; Flynn, John; Reilly, Richard B

    2005-03-01

    The development of a system for automatically sorting a database of shoeprint images based on the outsole pattern in response to a reference shoeprint image is presented. The database images are sorted so that those from the same pattern group as the reference shoeprint are likely to be at the start of the list. A database of 476 complete shoeprint images belonging to 140 pattern groups was established with each group containing two or more examples. A panel of human observers performed the grouping of the images into pattern categories. Tests of the system using the database showed that the first-ranked database image belongs to the same pattern category as the reference image 65 percent of the time and that a correct match appears within the first 5 percent of the sorted images 87 percent of the time. The system has translational and rotational invariance so that the spatial positioning of the reference shoeprint images does not have to correspond with the spatial positioning of the shoeprint images of the database. The performance of the system for matching partial-prints was also determined.

  3. The fractional Fourier transform and applications

    Science.gov (United States)

    Bailey, David H.; Swarztrauber, Paul N.

    1991-01-01

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

  4. Fourier transform imaging of impurities in the unit cells of crystals: Mn in GaAs

    Science.gov (United States)

    Lee, T.-L.; Bihler, C.; Schoch, W.; Limmer, W.; Daeubler, J.; Thieß, S.; Brandt, M. S.; Zegenhagen, J.

    2010-06-01

    The lattice sites of Mn in ferromagnetic (Ga,Mn)As thin films were imaged using the x-ray standing wave technique. The model-free images, obtained straightforwardly by Fourier inversion, disclose immediately that the Mn mostly substitutes the Ga with a small fraction residing on minority sites. The images further reveal variations in the Mn concentrations of the different sites upon post-growth treatments. Subsequent model refinement based on the directly reconstructed images resolves with high precision the complete Mn site distributions. It is found that post-growth annealing increases the fraction of substitutional Mn at the expense of interstitial Mn whereas hydrogenation has little influence on the Mn site distribution. Our study offers an element-specific high-resolution imaging approach for accurately determining the detailed site distributions of dilute concentrations of atoms in crystals.

  5. Three-dimensional Fourier transformation constructive interference in steady state magnetic resonance imaging of the inner ear in patients with unilateral and bilateral Meniere's disease

    NARCIS (Netherlands)

    Mateijsen, DJM; Van Hengel, PWJ; Krikke, AP; Van Huffelen, WM; Wit, HP; Albers, FWJ

    Objective: In this study, three-dimensional Fourier transformation constructive interference in steady state (3DFT-CISS) magnetic resonance imaging was used to quantify the distance between the vertical part of the posterior semicircular canal and the posterior fossa as a measure of the

  6. Fourier transform infrared-attenuated total reflectance (FTIR-ATR spectroscopy and chemometric techniques for the determination of adulteration in petrodiesel/biodiesel blends

    Directory of Open Access Journals (Sweden)

    Armando Guerrero Peña

    2014-06-01

    Full Text Available We propose an analytical method based on fourier transform infrared-attenuated total reflectance (FTIR-ATR spectroscopy to detect the adulteration of petrodiesel and petrodiesel/palm biodiesel blends with African crude palm oil. The infrared spectral fingerprints from the sample analysis were used to perform principal components analysis (PCA and to construct a prediction model using partial least squares (PLS regression. The PCA results separated the samples into three groups, allowing identification of those subjected to adulteration with palm oil. The obtained model shows a good predictive capacity for determining the concentration of palm oil in petrodiesel/biodiesel blends. Advantages of the proposed method include cost-effectiveness and speed; it is also environmentally friendly.

  7. Fourier Transform Mass Spectrometry.

    Science.gov (United States)

    Gross, Michael L.; Rempel, Don L.

    1984-01-01

    Discusses the nature of Fourier transform mass spectrometry and its unique combination of high mass resolution, high upper mass limit, and multichannel advantage. Examines its operation, capabilities and limitations, applications (ion storage, ion manipulation, ion chemistry), and future applications and developments. (JN)

  8. Generalized Fourier transforms classes

    DEFF Research Database (Denmark)

    Berntsen, Svend; Møller, Steen

    2002-01-01

    The Fourier class of integral transforms with kernels $B(\\omega r)$ has by definition inverse transforms with kernel $B(-\\omega r)$. The space of such transforms is explicitly constructed. A slightly more general class of generalized Fourier transforms are introduced. From the general theory...

  9. Automation and Control of an Imaging Internal Laser Desorption Fourier Transform Mass Spectrometer (I2LD-FTMS)

    Energy Technology Data Exchange (ETDEWEB)

    McJunkin, Timothy R; Tranter, Troy Joseph; Scott, Jill Rennee

    2002-06-01

    This paper describes the automation of an imaging internal source laser desorption Fourier transform mass spectrometer (I2LD-FTMS). The I2LD-FTMS consists of a laser-scanning device [Scott and Tremblay, Rev. Sci. Instrum. 2002, 73, 1108–1116] that has been integrated with a laboratory-built FTMS using a commercial data acquisition system (ThermoFinnigan FT/MS, Bremen, Germany). A new user interface has been developed in National Instrument's (Austin, Texas) graphical programming language LabVIEW to control the motors of the laser positioning system and the commercial FTMS data acquisition system. A feature of the FTMS software that allows the user to write macros in a scripting language is used creatively to our advantage in creating a mechanism to control the FTMS from outside its graphical user interface. The new user interface also allows the user to configure target locations. Automation of the data analysis along with data display using commercial graphing software is also described.

  10. Prediction and repeatability of milk coagulation properties and curd-firming modeling parameters of ovine milk using Fourier-transform infrared spectroscopy and Bayesian models.

    Science.gov (United States)

    Ferragina, A; Cipolat-Gotet, C; Cecchinato, A; Pazzola, M; Dettori, M L; Vacca, G M; Bittante, G

    2017-05-01

    The aim of this study was to apply Bayesian models to the Fourier-transform infrared spectroscopy spectra of individual sheep milk samples to derive calibration equations to predict traditional and modeled milk coagulation properties (MCP), and to assess the repeatability of MCP measures and their predictions. Data consisted of 1,002 individual milk samples collected from Sarda ewes reared in 22 farms in the region of Sardinia (Italy) for which MCP and modeled curd-firming parameters were available. Two milk samples were taken from 87 ewes and analyzed with the aim of estimating repeatability, whereas a single sample was taken from the other 915 ewes. Therefore, a total of 1,089 analyses were performed. For each sample, 2 spectra in the infrared region 5,011 to 925 cm -1 were available and averaged before data analysis. BayesB models were used to calibrate equations for each of the traits. Prediction accuracy was estimated for each trait and model using 20 replicates of a training-testing validation procedure. The repeatability of MCP measures and their predictions were also compared. The correlations between measured and predicted traits, in the external validation, were always higher than 0.5 (0.88 for rennet coagulation time). We confirmed that the most important element for finding the prediction accuracy is the repeatability of the gold standard analyses used for building calibration equations. Repeatability measures of the predicted traits were generally high (≥95%), even for those traits with moderate analytical repeatability. Our results show that Bayesian models applied to Fourier-transform infrared spectra are powerful tools for cheap and rapid prediction of important traits in ovine milk and, compared with other methods, could help in the interpretation of results. Copyright © 2017 American Dairy Science Association. Published by Elsevier Inc. All rights reserved.

  11. Fourier transform infrared spectroscopic studies of the secondary structure and thermal denaturation of CaATPase from rabbit skeletal muscle

    Science.gov (United States)

    Jaworsky, Mark; Brauner, Joseph W.; Mendelsohn, Richard

    Fourier transform i.r. spectroscopy has been used to monitor structural alterations induced by thermal denaturation of the intrinsic membrane protein CaATPase in aqueous media. The protein has been isolated, purified and studied in five forms: (i) In its native lipid environment after isolation from rabbit sarcoplasmic reticulum, both in H 2O and D 2O suspensions. (ii) After both mild and extensive tryptic digestion has cleaved those residues external to the membrane bilayer. (iii) Reconstituted in vesicle form with bovine brain sphingomyelin. Fourier deconvolution techniques have been used to enhance the resolution of the intrinsically overlapped Amide I and Amide II spectral regions. Large spectral alterations apparent in the deconvoluted spectra occur in these regions upon thermal denaturation of the protein which are consistent with the formation of a large proportion of β-antiparallel sheet form. The alteration parallels the loss in ATPase activity. A mild tryptic digestion increases slightly the proportion of α-helix and/or random coil secondary structure. A thermal transition to a form containing a high proportion of β structure is still evident. Extensive tryptic digestion nearly abolishes the alpha helical plus random coil secondary structure, while producing a high proportion of β form which is resistant to further thermally induced structural alterations. Studies of CaATPase reconstituted into vesicles with bovine brain sphingomyelin reveal a higher proportion of β structure than the native enzyme, with further introduction of β structure on thermal denaturation. Both the utility of deconvolution techniques and the necessity for caution in their application are apparent from the current experiments.

  12. Approximating the Analytic Fourier Transform with the Discrete Fourier Transform

    OpenAIRE

    Axelrod, Jeremy

    2015-01-01

    The Fourier transform is approximated over a finite domain using a Riemann sum. This Riemann sum is then expressed in terms of the discrete Fourier transform, which allows the sum to be computed with a fast Fourier transform algorithm more rapidly than via a direct matrix multiplication. Advantages and limitations of using this method to approximate the Fourier transform are discussed, and prototypical MATLAB codes implementing the method are presented.

  13. Application of point-to-point matching algorithms for background correction in on-line liquid chromatography-Fourier transform infrared spectrometry (LC-FTIR).

    Science.gov (United States)

    Kuligowski, J; Quintás, G; Garrigues, S; de la Guardia, M

    2010-03-15

    A new background correction method for the on-line coupling of gradient liquid chromatography and Fourier transform infrared spectrometry has been developed. It is based on the use of a point-to-point matching algorithm that compares the absorption spectra of the sample data set with those of a previously recorded reference data set in order to select an appropriate reference spectrum. The spectral range used for the point-to-point comparison is selected with minimal user-interaction, thus facilitating considerably the application of the whole method. The background correction method has been successfully tested on a chromatographic separation of four nitrophenols running acetonitrile (0.08%, v/v TFA):water (0.08%, v/v TFA) gradients with compositions ranging from 35 to 85% (v/v) acetonitrile, giving accurate results for both, baseline resolved and overlapped peaks. Copyright (c) 2009 Elsevier B.V. All rights reserved.

  14. Application of Fourier transform near-infrared spectroscopy combined with high-performance liquid chromatography in rapid and simultaneous determination of essential components in crude Radix Scrophulariae.

    Science.gov (United States)

    Li, Xiaomeng; Fang, Dansi; Cong, Xiaodong; Cao, Gang; Cai, Hao; Cai, Baochang

    2012-12-01

    A method is described using rapid and sensitive Fourier transform near-infrared spectroscopy combined with high-performance liquid chromatography-diode array detection for the simultaneous identification and determination of four bioactive compounds in crude Radix Scrophulariae samples. Partial least squares regression is selected as the analysis type and multiplicative scatter correction, second derivative, and Savitzky-Golay filter were adopted for the spectral pretreatment. The correlation coefficients (R) of the calibration models were above 0.96 and the root mean square error of predictions were under 0.028. The developed models were applied to unknown samples with satisfactory results. The established method was validated and can be applied to the intrinsic quality control of crude Radix Scrophulariae.

  15. Solid-state characterization of triamcinolone acetonide nanosuspensiones by X-ray spectroscopy, ATR Fourier transforms infrared spectroscopy and differential scanning calorimetry analysis

    Directory of Open Access Journals (Sweden)

    Eva García-Millán

    2017-12-01

    Full Text Available The data presented in this article describe the physical state of the triamcinolone acetonide (TA in nanosuspension stabilized with polyvinyl alcohol (PVA and poloxamer 407 (PL. The data were assessed by X-ray spectroscopy, ATR Fourier transforms infrared spectroscopy measurements (FTIR, and Differential scanning calorimetry (DSC analysis. PVA, PL and polymeric mixture (PVA and PL were compared with nanosuspension and the interactions between drug triamcinolone acetonide and polymers were studied. The data are related and are complementary to the research article entitle “Improved release of triamcinolone acetonide from medicated soft contact lenses loaded with drug nanosuspensions” (García-Millán et al., 2017 [1]. Keywords: Triamcinolona acetonide nanosuspensiones, X-ray spectroscopy, FTIR spectroscopy, DSC

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

    Science.gov (United States)

    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.

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

    Science.gov (United States)

    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.

  18. Photodissociation of CH3CHO at 248 nm by time-resolved Fourier-transform infrared emission spectroscopy: Verification of roaming and triple fragmentation

    Science.gov (United States)

    Hung, Kai-Chan; Tsai, Po-Yu; Li, Hou-Kuan; Lin, King-Chuen

    2014-02-01

    By using time-resolved Fourier-transform infrared emission spectroscopy, the HCO fragment dissociated from acetaldehyde (CH3CHO) at 248 nm is found to partially decompose to H and CO. The fragment yields are enhanced by the Ar addition that facilitates the collision-induced internal conversion. The channels to CH2CO + H2 and CH3CO + H are not detected significantly. The rotational population distribution of CO, after removing the Ar collision effect, shows a bimodal feature comprising both low- and high-rotational (J) components, sharing a fraction of 19% and 81%, respectively, for the vibrational state v = 1. The low-J component is ascribed to both roaming pathway and triple fragmentation. They are determined to have a branching ratio of 0.06, respectively, relative to the whole v = 1 population. The CO roaming is accompanied by a highly vibrational population of CH4 that yields a vibrational bimodality.

  19. CO 2 Capture Capacity and Swelling Measurements of Liquid-like Nanoparticle Organic Hybrid Materials via Attenuated Total Reflectance Fourier Transform Infrared Spectroscopy

    KAUST Repository

    Park, Youngjune

    2012-01-12

    Novel nanoparticle organic hybrid materials (NOHMs), which are comprised of organic oligomers or polymers tethered to an inorganic nanosized cores of various sizes, have been synthesized, and their solvating property for CO 2 was investigated using attenuated total reflectance (ATR) Fourier transform infrared (FT-IR) spectroscopy. Simultaneous measurements of CO 2 capture capacity and swelling behaviors of polyetheramine (Jeffamine M-2070) and its corresponding NOHMs (NOHM-I-PE2070) were reported at temperatures of (298, 308, 323 and 353) K and CO 2 pressure conditions ranging from (0 to 5.5) MPa. The polymeric canopy, or polymer bound to the nanoparticle surface, showed significantly less swelling behavior with enhanced or comparable CO 2 capture capacity compared to pure unbound polyetheramine. © 2011 American Chemical Society.

  20. Nondestructive quantification of the soluble-solids content and the available acidity of apples by Fourier-transform near-infrared spectroscopy

    Science.gov (United States)

    Ying, Yibin; Liu, Yande; Tao, Yang

    2005-09-01

    This research evaluated the feasibility of using Fourier-transform near-infrared (FT-NIR) spectroscopy to quantify the soluble-solids content (SSC) and the available acidity (VA) in intact apples. Partial least-squares calibration models, obtained from several preprocessing techniques (smoothing, derivative, etc.) in several wave-number ranges were compared. The best models were obtained with the high coefficient determination (r) 0.940 for the SSC and a moderate r of 0.801 for the VA, root-mean-square errors of prediction of 0.272% and 0.053%, and root-mean-square errors of calibration of 0.261% and 0.046%, respectively. The results indicate that the FT-NIR spectroscopy yields good predictions of the SSC and also showed the feasibility of using it to predict the VA of apples.

  1. Nondestructive quantification of the soluble-solids content and the available acidity of apples by Fourier-transform near-infrared spectroscopy

    International Nuclear Information System (INIS)

    Ying Yibin; Liu Yande; Tao Yang

    2005-01-01

    This research evaluated the feasibility of using Fourier-transform near-infrared (FT-NIR) spectroscopy to quantify the soluble-solids content (SSC) and the available acidity (VA) in intact apples. Partial least-squares calibration models, obtained from several preprocessing techniques (smoothing, derivative, etc.) in several wave-number ranges were compared. The best models were obtained with the high coefficient determination (r 2 ) 0.940 for the SSC and a moderate r 2 of 0.801 for the VA, root-mean-square errors of prediction of 0.272% and 0.053%, and root-mean-square errors of calibration of 0.261% and 0.046%, respectively. The results indicate that the FT-NIR spectroscopy yields good predictions of the SSC and also showed the feasibility of using it to predict the VA of apples

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

    Science.gov (United States)

    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.

  3. The Geostationary Fourier Transform Spectrometer

    Science.gov (United States)

    Key, Richard; Sander, Stanley; Eldering, Annmarie; Blavier, Jean-Francois; Bekker, Dmitriy; Manatt, Ken; Rider, David; Wu, Yen-Hung

    2012-01-01

    The Geostationary Fourier Transform Spectrometer (GeoFTS) is an imaging spectrometer designed for a geostationary orbit (GEO) earth science mission to measure key atmospheric trace gases and process tracers related to climate change and human activity. GEO allows GeoFTS to continuously stare at a region of the earth for frequent sampling to capture the variability of biogenic fluxes and anthropogenic emissions from city to continental spatial scales and temporal scales from diurnal, synoptic, seasonal to interannual. The measurement strategy provides a process based understanding of the carbon cycle from contiguous maps of carbon dioxide (CO2), methane (CH4), carbon monoxide (CO), and chlorophyll fluorescence (CF) collected many times per day at high spatial resolution (2.7kmx2.7km at nadir). The CO2/CH4/CO/CF measurement suite in the near infrared spectral region provides the information needed to disentangle natural and anthropogenic contributions to atmospheric carbon concentrations and to minimize uncertainties in the flow of carbon between the atmosphere and surface. The half meter cube size GeoFTS instrument is based on a Michelson interferometer design that uses all high TRL components in a modular configuration to reduce complexity and cost. It is self-contained and as independent of the spacecraft as possible with simple spacecraft interfaces, making it ideal to be a "hosted" payload on a commercial communications satellite mission. The hosted payload approach for measuring the major carbon-containing gases in the atmosphere from the geostationary vantage point will affordably advance the scientific understating of carbon cycle processes and climate change.

  4. Generalized Fourier transforms classes

    DEFF Research Database (Denmark)

    Berntsen, Svend; Møller, Steen

    2002-01-01

    The Fourier class of integral transforms with kernels $B(\\omega r)$ has by definition inverse transforms with kernel $B(-\\omega r)$. The space of such transforms is explicitly constructed. A slightly more general class of generalized Fourier transforms are introduced. From the general theory foll...... follows that integral transform with kernels which are products of a Bessel and a Hankel function or which is of a certain general hypergeometric type have inverse transforms of the same structure....

  5. Improved Fourier-transform profilometry

    International Nuclear Information System (INIS)

    Mao Xianfu; Chen Wenjing; Su Xianyu

    2007-01-01

    An improved optical geometry of the projected-fringe profilometry technique, in which the exit pupil of the projecting lens and the entrance pupil of the imaging lens are neither at the same height above the reference plane nor coplanar, is discussed and used in Fourier-transform profilometry. Furthermore, an improved fringe-pattern description and phase-height mapping formula based on the improved geometrical generalization is deduced. Employing the new optical geometry, it is easier for us to obtain the full-field fringe by moving either the projector or the imaging device. Therefore the new method offers a flexible way to obtain reliable height distribution of a measured object

  6. 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.

    Science.gov (United States)

    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

  7. Tropospheric and total ozone columns over Paris (France measured using medium-resolution ground-based solar-absorption Fourier-transform infrared spectroscopy

    Directory of Open Access Journals (Sweden)

    C. Viatte

    2011-10-01

    Full Text Available Ground-based Fourier-transform infrared (FTIR solar absorption spectroscopy is a powerful remote sensing technique providing information on the vertical distribution of various atmospheric constituents. This work presents the first evaluation of a mid-resolution ground-based FTIR to measure tropospheric ozone, independently of stratospheric ozone. This is demonstrated using a new atmospheric observatory (named OASIS for "Observations of the Atmosphere by Solar absorption Infrared Spectroscopy", installed in Créteil (France. The capacity of the technique to separate stratospheric and tropospheric ozone is demonstrated. Daily mean tropospheric ozone columns derived from the Infrared Atmospheric Sounding Interferometer (IASI and from OASIS measurements are compared for summer 2009 and a good agreement of −5.6 (±16.1 % is observed. Also, a qualitative comparison between in-situ surface ozone measurements and OASIS data reveals OASIS's capacity to monitor seasonal tropospheric ozone variations, as well as ozone pollution episodes in summer 2009 around Paris. Two extreme pollution events are identified (on the 1 July and 6 August 2009 for which ozone partial columns from OASIS and predictions from a regional air-quality model (CHIMERE are compared following strict criteria of temporal and spatial coincidence. An average bias of 0.2%, a mean square error deviation of 7.6%, and a correlation coefficient of 0.91 is found between CHIMERE and OASIS, demonstrating the potential of a mid-resolution FTIR instrument in ground-based solar absorption geometry for tropospheric ozone monitoring.

  8. Fourier transforms in spectroscopy

    CERN Document Server

    Kauppinen, Jyrki

    2000-01-01

    This modern approach to the subject is clearly and logically structured, and gives readers an understanding of the essence of Fourier transforms and their applications. All important aspects are included with respect to their use with optical spectroscopic data. Based on popular lectures, the authors provide the mathematical fundamentals and numerical applications which are essential in practical use. The main part of the book is dedicated to applications of FT in signal processing and spectroscopy, with IR and NIR, NMR and mass spectrometry dealt with both from a theoretical and practical poi

  9. Benefits of 2.94 μm infrared matrix-assisted laser desorption/ionization for analysis of labile molecules by Fourier transform mass spectrometry

    DEFF Research Database (Denmark)

    Budnik, Bogdan A.; Jensen, Kenneth Bendix; Jørgensen, Thomas J. D.

    2000-01-01

    A 2.94 microm Er:YAG laser was used together with a commercial Fourier transform mass spectrometer to study labile biomolecules. The combination has shown superior performance over conventional 337 nm ultraviolet matrix-assisted laser desorption/ionization (UV-MALDI) Fourier transform mass...

  10. Determination of the emissivity of the tungsten hexa-ethoxide pyrolysis flame using Fourier Transform Infrared (FTIR) spectroscopy

    CSIR Research Space (South Africa)

    Mudau, AE

    2010-09-01

    Full Text Available To determination the temperature using infrared cameras, the following issues need to be addressed, the emissivity of the object and atmospheric path effects. The later is negligible in the setup used. In this paper authors present the emissivity...

  11. Comparison of on-line flow-cell and off-line solvent-elimination interfaces for size-exclusion chromatography and Fourier-transform infrared spectroscopy in polymer analysis

    NARCIS (Netherlands)

    Kok, S.J.; Wold, C.A.; Hankemeier, Th.; Schoenmakers, P.J.

    2003-01-01

    Two commercial liquid chromatography-Fourier-transform infrared spectroscopy interfaces (LC-FTIR), viz. a flow cell and a solvent-elimination interface have been assessed for use in size-exclusion chromatography (SEC) with respect to their chromatographic integrity (i.e. peak asymmetry,

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

    Science.gov (United States)

    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®

  13. Influence of spectral resolution, spectral range and signal-to-noise ratio of Fourier transform infra-red spectra on identification of high explosive substances

    Science.gov (United States)

    Banas, Krzysztof; Banas, Agnieszka M.; Heussler, Sascha P.; Breese, Mark B. H.

    2018-01-01

    In the contemporary spectroscopy there is a trend to record spectra with the highest possible spectral resolution. This is clearly justified if the spectral features in the spectrum are very narrow (for example infra-red spectra of gas samples). However there is a plethora of samples (in the liquid and especially in the solid form) where there is a natural spectral peak broadening due to collisions and proximity predominately. Additionally there is a number of portable devices (spectrometers) with inherently restricted spectral resolution, spectral range or both, which are extremely useful in some field applications (archaeology, agriculture, food industry, cultural heritage, forensic science). In this paper the investigation of the influence of spectral resolution, spectral range and signal-to-noise ratio on the identification of high explosive substances by applying multivariate statistical methods on the Fourier transform infra-red spectral data sets is studied. All mathematical procedures on spectral data for dimension reduction, clustering and validation were implemented within R open source environment.

  14. Time-resolved Fourier transform infrared spectrometry using a microfabricated continuous flow mixer: application to protein conformation study using the example of ubiquitin.

    Science.gov (United States)

    Kakuta, Masaya; Hinsmann, Peter; Manz, Andreas; Lendl, Bernhard

    2003-05-01

    We report on the use of time-resolved Fourier transform infrared spectroscopy (FT-IR) to study chemically induced conformational changes of proteins using the example of ubiquitin. For this purpose a micromachined mixer is coupled to a conventional IR transmission cell with a pathlength of 25 microm and operated in both the continuous and the stopped-flow mode. This experimental set-up allows the elucidation of reaction pathways in the time frame of about 500 milliseconds to seconds with little reagent consumption and low pressure. For continuous flow measurements employed in the time frame from 0.5 to 1.4 s the reaction time is determined by the flow rate used as the connection between the point of confluence in the micromixer and the flow cell was kept constant in all experiments. For stopped-flow experiments (>1.4 s) the time is determined by data acquisition of the rapid scanning infrared spectrometer. Ubiquitin, a small well-known protein with 76 amino acid residues, changes its conformation from native to A-state with the addition of methanol under low pH conditions. We investigated the conformational change in the time frame from 0.5 to 10 s by mixing ubiquitin (20% methanol-d(4)) with an 80% methanol-d(4) solution at pD 2 by evaluating the time dependent changes in the amide I band of the protein.

  15. Rapid, nondestructive estimation of surface polymer layer thickness using attenuated total reflection fourier transform infrared (ATR FT-IR) spectroscopy and synthetic spectra derived from optical principles.

    Science.gov (United States)

    Weinstock, B André; Guiney, Linda M; Loose, Christopher

    2012-11-01

    We have developed a rapid, nondestructive analytical method that estimates the thickness of a surface polymer layer with high precision but unknown accuracy using a single attenuated total reflection Fourier transform infrared (ATR FT-IR) measurement. Because the method is rapid, nondestructive, and requires no sample preparation, it is ideal as a process analytical technique. Prior to implementation, the ATR FT-IR spectrum of the substrate layer pure component and the ATR FT-IR and real refractive index spectra of the surface layer pure component must be known. From these three input spectra a synthetic mid-infrared spectral matrix of surface layers 0 nm to 10,000 nm thick on substrate is created de novo. A minimum statistical distance match between a process sample's ATR FT-IR spectrum and the synthetic spectral matrix provides the thickness of that sample. We show that this method can be used to successfully estimate the thickness of polysulfobetaine surface modification, a hydrated polymeric surface layer covalently bonded onto a polyetherurethane substrate. A database of 1850 sample spectra was examined. Spectrochemical matrix-effect unknowns, such as the nonuniform and molecularly novel polysulfobetaine-polyetherurethane interface, were found to be minimal. A partial least squares regression analysis of the database spectra versus their thicknesses as calculated by the method described yielded an estimate of precision of ±52 nm.

  16. Rapid determination of carbohydrates, ash, and extractives contents of straw using attenuated total reflectance fourier transform mid-infrared spectroscopy.

    Science.gov (United States)

    Tamaki, Yukihiro; Mazza, Giuseppe

    2011-06-22

    Analysis of the chemical components of lignocellulosic biomass is essential to understanding its potential for utilization. Mid-infrared spectroscopy and partial least-squares regression were used for rapid measurement of the carbohydrate (total glycans; glucan; xylan; galactan; arabinan; mannan), ash, and extractives content of triticale and wheat straws. Calibration models for total glycans, glucan, and extractives showed good and excellent predictive performance on the basis of slope, r², RPD, and R/SEP criteria. The xylan model showed good and acceptable predictive performance. However, the ash model was evaluated as providing only approximate quantification and screening. The models for galactan, arabinan, and mannan indicated poor and insufficient prediction for application. Most models could predict both triticale and wheat straw samples with the same degree of accuracy. Mid-infrared spectroscopic techniques coupled with partial least-squares regression can be used for rapid prediction of total glycans, glucan, xylan, and extractives in triticale and wheat straw samples.

  17. A no-key-exchange secure image sharing scheme based on Shamir's three-pass cryptography protocol and the multiple-parameter fractional Fourier transform.

    Science.gov (United States)

    Lang, Jun

    2012-01-30

    In this paper, we propose a novel secure image sharing scheme based on Shamir's three-pass protocol and the multiple-parameter fractional Fourier transform (MPFRFT), which can safely exchange information with no advance distribution of either secret keys or public keys between users. The image is encrypted directly by the MPFRFT spectrum without the use of phase keys, and information can be shared by transmitting the encrypted image (or message) three times between users. Numerical simulation results are given to verify the performance of the proposed algorithm.

  18. Analysis of the structural organization and thermal stability of two spermadhesins. Calorimetric, circular dichroic and Fourier-transform infrared spectroscopic studies.

    Science.gov (United States)

    Menéndez, M; Gasset, M; Laynez, J; López-Zumel, C; Usobiaga, P; Töpfer-Petersen, E; Calvete, J J

    1995-12-15

    The CUB domain is a widespread 110-amino-acid module found in functionally diverse, often developmentally regulated proteins, for which an antiparallel beta-barrel topology similar to that in immunoglobulin V domains has been predicted. Spermadhesins have been proposed as a subgroup of this protein family built up by a single CUB domain architecture. To test the proposed structural model, we have analyzed the structural organization of two members of the spermadhesin protein family, porcine seminal plasma proteins I/II (PSP-I/PSP-II) heterodimer and bovine acidic seminal fluid protein (aSFP) homodimer, using differential scanning calorimetry, far-ultraviolet circular dichroism and Fourier-transform infrared spectroscopy. Thermal unfolding of PSP-I/PSP-II and aSFP were irreversible and followed a one-step process with transition temperatures (Tm) of 60.5 degrees C and 78.6 degrees C, respectively. The calorimetric enthalpy changes (delta Hcat) of thermal denaturation were 439 kJ/mol for PSP-I/PSP-II and 660 kJ/mol for aSFP dimer. Analysis of the calorimetric curves of PSP-I/PSP-II showed that the entire dimer constituted the cooperative unfolding unit. Fourier-transform infrared spectroscopy and deconvolution of circular dichroic spectra using a convex constraint analysis indicated that beta-structure and turns are the major structural element of both PSP-I/PSP-II (53% of beta-sheet, 21% of turns) and aSFP (44% of beta-sheet, 36% of turns), and that the porcine and the bovine proteins contain little, if any, alpha-helical structure. Taken together, our results indicate that the porcine and the bovine spermadhesin molecules are probably all-beta-structure proteins, and would support a beta-barrel topology like that predicted for the CUB domain. Other beta-structure folds, such as the Greek-key pattern characteristic of many carbohydrate-binding protein domains cannot be eliminated. Finally, the same combination of biophysical techniques was used to characterize the

  19. Differentiation of different mixed Listeria strains and also acid-injured, heat-injured, and repaired cells of Listeria monocytogenes using fourier transform infrared spectroscopy.

    Science.gov (United States)

    Nyarko, Esmond; Donnelly, Catherine

    2015-03-01

    Fourier transform infrared (FT-IR) spectroscopy was used to differentiate mixed strains of Listeria monocytogenes and mixed strains of L. monocytogenes and Listeria innocua. FT-IR spectroscopy was also applied to investigate the hypothesis that heat-injured and acid-injured cells would return to their original physiological integrity following repair. Thin smears of cells on infrared slides were prepared from cultures for mixed strains of L. monocytogenes, mixed strains of L. monocytogenes and L. innocua, and each individual strain. Heat-injured and acid-injured cells were prepared by exposing harvested cells of L. monocytogenes strain R2-764 to a temperature of 56 ± 0.2°C for 10 min or lactic acid at pH 3 for 60 min, respectively. Cellular repair involved incubating aliquots of acid-injured and heat-injured cells separately in Trypticase soy broth supplemented with 0.6% yeast extract for 22 to 24 h; bacterial thin smears on infrared slides were prepared for each treatment. Spectral collection was done using 250 scans at a resolution of 4 cm(-1) in the mid-infrared wavelength region. Application of multivariate discriminant analysis to the wavelength region from 1,800 to 900 cm(-1) separated the individual L. monocytogenes strains. Mixed strains of L. monocytogenes and L. monocytogenes cocultured with L. innocua were successfully differentiated from the individual strains when the discriminant analysis was applied. Different mixed strains of L. monocytogenes were also successfully separated when the discriminant analysis was applied. A data set for injury and repair analysis resulted in the separation of acid-injured, heat-injured, and intact cells; repaired cells clustered closer to intact cells when the discriminant analysis (1,800 to 600 cm(-1)) was applied. FT-IR spectroscopy can be used for the rapid source tracking of L. monocytogenes strains because it can differentiate between different mixed strains and individual strains of the pathogen.

  20. Fourier Transform Spectrometer System

    Science.gov (United States)

    Campbell, Joel F. (Inventor)

    2014-01-01

    A Fourier transform spectrometer (FTS) data acquisition system includes an FTS spectrometer that receives a spectral signal and a laser signal. The system further includes a wideband detector, which is in communication with the FTS spectrometer and receives the spectral signal and laser signal from the FTS spectrometer. The wideband detector produces a composite signal comprising the laser signal and the spectral signal. The system further comprises a converter in communication with the wideband detector to receive and digitize the composite signal. The system further includes a signal processing unit that receives the composite signal from the converter. The signal processing unit further filters the laser signal and the spectral signal from the composite signal and demodulates the laser signal, to produce velocity corrected spectral data.

  1. Monitoring ultraviolet (UV) radiation inactivation of Cronobacter sakazakii in dry infant formula using Fourier transform infrared spectroscopy.

    Science.gov (United States)

    Liu, Qian; Lu, Xiaonan; Swanson, Barry G; Rasco, Barbara A; Kang, Dong-Hyun

    2012-01-01

    Cronobacter sakazakii is an opportunistic pathogen associated with dry infant formula presenting a high risk to low birth weight neonates. The inactivation of C. sakazakii in dry infant formula by ultraviolet (UV) radiation alone and combined with hot water treatment at temperatures of 55, 60, and 65 °C were applied in this study. UV radiation with doses in a range from 12.1 ± 0.30 kJ/m² to 72.8 ± 1.83 kJ/m² at room temperature demonstrated significant inactivation of C. sakazakii in dry infant formula (P radiation combining 60 °C hot water treatment increased inactivation of C. sakazakii cells significantly (P radiation on C. sakazakii inactivation kinetics (D value) were not observed in infant formula reconstituted in 55 and 65 °C water (P > 0.05). The inactivation mechanism was investigated using vibrational spectroscopy. Infrared spectroscopy detected significant stretching mode changes of macromolecules on the basis of spectral features, such as DNA, proteins, and lipids. Minor changes on cell membrane composition of C. sakazakii under UV radiation could be accurately and correctly monitored by infrared spectroscopy coupled with 2nd derivative transformation and principal component analysis. © 2011 Institute of Food Technologists®

  2. Rainbow Fourier Transform

    Science.gov (United States)

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

    2012-01-01

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

  3. Fourier transforms principles and applications

    CERN Document Server

    Hansen, Eric W

    2014-01-01

    Fourier Transforms: Principles and Applications explains transform methods and their applications to electrical systems from circuits, antennas, and signal processors-ably guiding readers from vector space concepts through the Discrete Fourier Transform (DFT), Fourier series, and Fourier transform to other related transform methods.  Featuring chapter end summaries of key results, over two hundred examples and four hundred homework problems, and a Solutions Manual this book is perfect for graduate students in signal processing and communications as well as practicing engineers.

  4. Attenuated Total Reflection Fourier Transform Infrared (ATR-FTIR) in the discrimination of normal and oral cancer blood plasma

    Science.gov (United States)

    Pachaiappan, Rekha; Prakasarao, Aruna; Singaravelu, Ganesan

    2017-02-01

    Oral cancer is the most frequent type of cancer that occurs with 75000 to 80000 new cases reported every year in India. The carcinogens from tobacco and related products are the main cause for the oral cancer. ATR-FTIR method is label free, fast and cost-effective diagnostic method would allow for rapid diagnostic results in earlier stages by the minimal chemical changes occur in the biological metabolites available in the blood plasma. The present study reports the use of ATR-FTIR data with advanced statistical model (LDA-ANN) in the diagnosis of oral cancer from normal with better accuracy. The infrared spectra were acquired on ATR-FTIR Jasco spectrophotometer at 4 cm-1 resolution, 30 scans, in the 1800-900 cm-1 spectral range. Each sample had 5 spectra recorded from each blood plasma sample. The spectral data were routed through the multilayer perception of artificial neural network to evaluate for the statistical efficacy. Among the spectral data it was found that amide II (1486 cm-1) and lipid (1526 cm-1) affords about 90 % in the discrimination between groups using LDA. These preliminary results indicate that ATR-FTIR is useful to differentiate normal subject from oral cancer patients using blood plasma.

  5. A rapid qualitative and quantitative evaluation of grape berries at various stages of development using Fourier-transform infrared spectroscopy and multivariate data analysis.

    Science.gov (United States)

    Musingarabwi, Davirai M; Nieuwoudt, Hélène H; Young, Philip R; Eyéghè-Bickong, Hans A; Vivier, Melané A

    2016-01-01

    Fourier transform (FT) near-infrared (NIR) and attenuated total reflection (ATR) FT mid-infrared (MIR) spectroscopy were used to qualitatively and quantitatively analyse Vitis vinifera L. cv Sauvignon blanc grape berries. FT-NIR and ATR FT-MIR spectroscopy, coupled with spectral preprocessing and multivariate data analysis (MVDA), provided reliable methods to qualitatively assess berry samples at five distinct developmental stages: green, pre-véraison, véraison, post-véraison and ripe (harvest), without any prior metabolite extraction. Compared to NIR spectra, MIR spectra provided more reliable discrimination between the berry samples from the different developmental stages. Interestingly, ATR FT-MIR spectra from fresh homogenized berry samples proved more discriminatory than spectra from frozen homogenized berry samples. Different developmental stages were discriminated by principal component analysis (PCA) and orthogonal partial least squares discriminant analysis (OPLS-DA). In order to generate partial least squares (PLS) models from the MIR/NIR spectral datasets; the major sugars (glucose and fructose) and organic acids (malic acid, succinic acid and tartaric acid) were separated and quantified by high performance liquid chromatography (HPLC) and the data used as a reference dataset. PLS regression was used to develop calibration models to predict the concentration of the major sugars and organic acids in the berry samples from different developmental stages. Our data show that infrared (IR) spectroscopy could provide a rapid, reproducible and cost-effective alternative to the chromatographic analysis of the sugar and organic acid composition of grape berries at various developmental stages, using small sample volumes and requiring limited sample preparation. This provides scope and support for the possible development of hand-held devices to assess quality parameters in field-settings in real-time and non-destructively using IR technologies. Copyright

  6. Identification of Diethyl 2,5-Dioxahexane Dicarboxylate and Polyethylene Carbonate as Decomposition Products of Ethylene Carbonate Based Electrolytes by Fourier Transform Infrared Spectroscopy

    KAUST Repository

    Shi, Feifei; Zhao, Hui; Liu, Gao; Ross, Philip N.; Somorjai, Gabor A.; Komvopoulos, Kyriakos

    2014-01-01

    The formation of passive films on electrodes due to electrolyte decomposition significantly affects the reversibility of Li-ion batteries (LIBs); however, understanding of the electrolyte decomposition process is still lacking. The decomposition products of ethylene carbonate (EC)-based electrolytes on Sn and Ni electrodes are investigated in this study by Fourier transform infrared (FTIR) spectroscopy. The reference compounds, diethyl 2,5-dioxahexane dicarboxylate (DEDOHC) and polyethylene carbonate (poly-EC), were synthesized, and their chemical structures were characterized by FTIR spectroscopy and nuclear magnetic resonance (NMR). Assignment of the vibration frequencies of these compounds was assisted by quantum chemical (Hartree-Fock) calculations. The effect of Li-ion solvation on the FTIR spectra was studied by introducing the synthesized reference compounds into the electrolyte. EC decomposition products formed on Sn and Ni electrodes were identified as DEDOHC and poly-EC by matching the features of surface species formed on the electrodes with reference spectra. The results of this study demonstrate the importance of accounting for the solvation effect in FTIR analysis of the decomposition products forming on LIB electrodes. © 2014 American Chemical Society.

  7. A Catalytic Path for Electrolyte Reduction in Lithium-Ion Cells Revealed by in Situ Attenuated Total Reflection-Fourier Transform Infrared Spectroscopy

    KAUST Repository

    Shi, Feifei; Ross, Philip N.; Zhao, Hui; Liu, Gao; Somorjai, Gabor A.; Komvopoulos, Kyriakos

    2015-01-01

    © 2015 American Chemical Society. Although controlling the interfacial chemistry of electrodes in Li-ion batteries (LIBs) is crucial for maintaining the reversibility, electrolyte decomposition has not been fully understood. In this study, electrolyte decomposition on model electrode surfaces (Au and Sn) was investigated by in situ attenuated total reflection-Fourier transform infrared (ATR-FTIR) spectroscopy. Simultaneously obtained ATR-FTIR spectra and cyclic voltammetry measurements show that lithium ethylene dicarbonate and lithium propionate form on the Au electrode at 0.6 V, whereas diethyl 2,5-dioxahexane dicarboxylate and lithium propionate form on the Sn electrode surface at 1.25 V. A noncatalytic reduction path on the Au surface and a catalytic reduction path on the Sn surface are introduced to explain the surface dependence of the overpotential and product selectivity. This represents a new concept for explaining electrolyte reactions on the anode of LIBs. The present investigation shows that catalysis plays a dominant role in the electrolyte decomposition process and has important implications in electrode surface modification and electrolyte recipe selection, which are critical factors for enhancing the efficiency, durability, and reliability of LIBs.

  8. Collection of VLE data for acid gas - alkanolamine systems using Fourier transform infrared spectroscopy. Final report, September 29, 1990--September 30, 1996

    Energy Technology Data Exchange (ETDEWEB)

    Bullin, J.A.; Rogers, W.J.

    1996-11-01

    This report describes research from September 29, 1990 through September 30, 1996, involving the development a novel Fourier transform infrared (FTIR) spectroscopic apparatus and method for measuring vapor - liquid equilibrium (VLE) systems of carbon dioxide and hydrogen sulfide with aqueous alkanolamine solutions. The original apparatus was developed and modified as it was used to collect VLE data on acid gas systems. Vapor and liquid calibrations were performed for spectral measurements of hydrogen sulfide and carbon dioxide in the vapor and in solution with aqueous diethanolamine (DEA) and methyldiethanolamine (MDEA). VLE measurements were made of systems of hydrogen sulfide and carbon dioxide in 20 wt % DEA at 50{degrees}C and 40{degrees}C. VLE measurements were made of systems of hydrogen sulfide and carbon dioxide in 50 wt% and 23 wt% MDEA at 40{degrees}C and in 23 wt% MDEA at 50{degrees}C. VLE measurements were made of systems of hydrogen sulfide and carbon dioxide in 35 wt% MDEA + 5 wt% DEA and in 35 wt% MDEA + 10 wt% DEA at 40{degrees}C and 50{degrees}C. Measurements were made of residual amounts of carbon dioxide in each VLE system. The new FTIR spectrometer is now a consistently working and performing apparatus.

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

    Science.gov (United States)

    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.

  10. Application of Fourier transform infrared spectroscopy and orthogonal projections to latent structures/partial least squares regression for estimation of procyanidins average degree of polymerisation.

    Science.gov (United States)

    Passos, Cláudia P; Cardoso, Susana M; Barros, António S; Silva, Carlos M; Coimbra, Manuel A

    2010-02-28

    Fourier transform infrared (FTIR) spectroscopy has being emphasised as a widespread technique in the quick assess of food components. In this work, procyanidins were extracted with methanol and acetone/water from the seeds of white and red grape varieties. A fractionation by graded methanol/chloroform precipitations allowed to obtain 26 samples that were characterised using thiolysis as pre-treatment followed by HPLC-UV and MS detection. The average degree of polymerisation (DPn) of the procyanidins in the samples ranged from 2 to 11 flavan-3-ol residues. FTIR spectroscopy within the wavenumbers region of 1800-700 cm(-1) allowed to build a partial least squares (PLS1) regression model with 8 latent variables (LVs) for the estimation of the DPn, giving a RMSECV of 11.7%, with a R(2) of 0.91 and a RMSEP of 2.58. The application of orthogonal projection to latent structures (O-PLS1) clarifies the interpretation of the regression model vectors. Moreover, the O-PLS procedure has removed 88% of non-correlated variations with the DPn, allowing to relate the increase of the absorbance peaks at 1203 and 1099 cm(-1) with the increase of the DPn due to the higher proportion of substitutions in the aromatic ring of the polymerised procyanidin molecules. Copyright 2009 Elsevier B.V. All rights reserved.

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

    Science.gov (United States)

    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.

  12. Identification of carbonates as additives in pressure-sensitive adhesive tape substrate with Fourier transform infrared spectroscopy (FTIR) and its application in three explosive cases.

    Science.gov (United States)

    Lv, Jungang; Feng, Jimin; Zhang, Wen; Shi, Rongguang; Liu, Yong; Wang, Zhaohong; Zhao, Meng

    2013-01-01

    Pressure-sensitive tape is often used to bind explosive devices. It can become important trace evidence in many cases. Three types of calcium carbonate (heavy, light, and active CaCO(3)), which were widely used as additives in pressure-sensitive tape substrate, were analyzed with Fourier transform infrared spectroscopy (FTIR) in this study. A Spectrum GX 2000 system with a diamond anvil cell and a deuterated triglycine sulfate detector was employed for IR observation. Background was subtracted for every measurement, and triplicate tests were performed. Differences in positions of main peaks and the corresponding functional groups were investigated. Heavy CaCO(3) could be identified from the two absorptions near 873 and 855/cm, while light CaCO(3) only has one peak near 873/cm because of the low content of aragonite. Active CaCO(3) could be identified from the absorptions in the 2800-2900/cm region because of the existence of organic compounds. Tiny but indicative changes in the 878-853/cm region were found in the spectra of CaCO(3) with different content of aragonite and calcite. CaCO(3) in pressure-sensitive tape, which cannot be differentiated by scanning electron microscope/energy dispersive X-ray spectrometer and thermal analysis, can be easily identified using FTIR. The findings were successfully applied to three specific explosive cases and would be helpful in finding the possible source of explosive devices in future cases. © 2012 American Academy of Forensic Sciences.

  13. Application of Fourier-transform infrared (FT-IR) spectroscopy for simple and easy determination of chylomicron-triglyceride and very low density lipoprotein-triglyceride.

    Science.gov (United States)

    Sato, Kenichi; Seimiya, Masanori; Kodera, Yoshio; Kitamura, Akihide; Nomura, Fumio

    2010-02-01

    Fourier-transform infrared (FT-IR) spectroscopy is a simple and reagent-free physicochemical analysis method, and is a potential alternative to more time-consuming and labor-intensive procedures. In this study, we aimed to use FT-IR spectroscopy to determine serum concentrations of chylomicron-triglyceride (TG) and very low density lipoprotein (VLDL)-TG. We analyzed a chylomicron fraction and VLDL fraction, which had been obtained by ultracentrifugation, to search for wavelengths to designate to each fraction. Then, partial least square (PLS) calibrations were developed using a training set of samples, for which TG concentrations had been determined by conventional procedures. Validation was conducted with another set of samples using the PLS model to predict serum TG concentrations on the basis of the samples' IR spectra. We analyzed a total of 150 samples. Serum concentrations of chylomicron-TG and VLDL-TG estimated by FT-IR spectroscopy agreed well with those obtained by the reference method (r=0.97 for both lipoprotein fractions). FT-IR spectrometric analysis required 15mul of serum and was completed within 1min. Serum chylomicron-TG and VLDL-TG concentrations can be determined with FT-IR spectroscopy. This rapid and simple test may have a great impact on the management of patients with dyslipidemia. Copyright 2009. Published by Elsevier B.V.

  14. Introduction to Body Composition Assessment Using the Deuterium Dilution Technique with Analysis of Saliva Samples by Fourier Transform Infrared Spectrometry (Spanish Edition)

    International Nuclear Information System (INIS)

    2013-01-01

    For many years, the IAEA has fostered the more widespread use of stable isotope techniques to assess body composition in different population groups to address priority areas in public health nutrition in Member States. The objective is to support national and regional nutrition projects through both the IAEA's technical cooperation programme and its coordinated research projects. In particular, during the last few years, the increased access to analyses of deuterium enrichment by Fourier transform infrared (FTIR) spectrometry has increased the application of this technique in Africa, Asia and Latin America. This publication was developed by an international group of experts to provide practical, hands-on guidance in the use of this technique in settings where the analysis of deuterium enrichment in saliva samples will be made by FTIR. It is targeted at new users of this technique, for example nutritionists, analytical chemists and other professionals. More detailed information on the theoretical background and the practical application of state of the art methodologies to monitor changes in body composition can be found in an IAEA publication entitled Assessment of Body Composition and Total Energy Expenditure in Humans by Stable Isotope Techniques (IAEA Human Health Series No. 3)

  15. Introduction to Body Composition Assessment Using the Deuterium Dilution Technique with Analysis of Saliva Samples by Fourier Transform Infrared Spectrometry (French Edition)

    International Nuclear Information System (INIS)

    2013-01-01

    For many years, the IAEA has fostered the more widespread use of stable isotope techniques to assess body composition in different population groups to address priority areas in public health nutrition in Member States. The objective is to support national and regional nutrition projects through both the IAEA's technical cooperation programme and its coordinated research projects. In particular, during the last few years, the increased access to analyses of deuterium enrichment by Fourier transform infrared (FTIR) spectrometry has increased the application of this technique in Africa, Asia and Latin America. This publication was developed by an international group of experts to provide practical, hands-on guidance in the use of this technique in settings where the analysis of deuterium enrichment in saliva samples will be made by FTIR. It is targeted at new users of this technique, for example nutritionists, analytical chemists and other professionals. More detailed information on the theoretical background and the practical application of state of the art methodologies to monitor changes in body composition can be found in an IAEA publication entitled Assessment of Body Composition and Total Energy Expenditure in Humans by Stable Isotope Techniques (IAEA Human Health Series No. 3)

  16. 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.

    Science.gov (United States)

    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.

  17. In-situ chemical analyses of trans-polyisoprene by histochemical staining and Fourier transform infrared microspectroscopy in a rubber-producing plant, Eucommia ulmoides Oliver.

    Science.gov (United States)

    Bamba, Takeshi; Fukusaki, Ei-Ichiro; Nakazawa, Yoshihisa; Kobayashi, Akio

    2002-10-01

    The localization of polyisoprene in young stem tissues of Eucommia ulmoides Oliver was investigated by histochemical staining and Fourier transform infrared (FT-IR) microspectroscopy. The fibrous structures were stained with Oil Red O. FT-IR microspectroscopic analysis proved that the fibrous structures were trans-polyisoprene. Granular structures stained with the dye, and characteristic absorptions at 2,960 cm(-1) and 1,430 cm(-1) in FT-IR suggested that trans-polyisoprene accumulated in the vicinity of the cambium layer. We have thus successfully shown for the first time the localization of trans-polyisoprene in plant tissues, and our histological investigation allowed us to presume the main sites of biosynthesis and accumulation of trans-rubber. Furthermore, a new technical approach, the preparation of sections using an electronic freezing unit and the in situ analysis of polyisoprene using FT-IR microspectroscopy, is demonstrated to be a promising method for determining the accumulation of polyisoprene as well as other metabolites.

  18. Contribution made by multivariate curve resolution applied to gel permeation chromatography-Fourier transform infrared data for an in-depth characterization of styrene-butadiene rubber blends.

    Science.gov (United States)

    Ruckebusch, C; Vilmin, F; Coste, N; Huvenne, J P

    2008-07-01

    We evaluate the contribution made by multivariate curve resolution-alternating least squares (MCR-ALS) for resolving gel permeation chromatography-Fourier transform infrared (GPC-FT-IR) data collected on butadiene rubber (BR) and styrene butadiene rubber (SBR) blends in order to access in-depth knowledge of polymers along the molecular weight distribution (MWD). In the BR-SBR case, individual polymers differ in chemical composition but share almost the same MWD. Principal component analysis (PCA) gives a general overview of the data structure and attests to the feasibility of modeling blends as a binary system. MCR-ALS is then performed. It allows resolving the chromatographic coelution and validates the chosen methodology. For SBR-SBR blends, the problem is more challenging since the individual elastomers present the same chemical composition. Rank deficiency is detected from the PCA data structure analysis. MCR-ALS is thus performed on column-wise augmented matrices. It brings very useful insight into the composition of the analyzed blends. In particular, a weak change in the composition of individual SBR in the MWD's lowest mass region is revealed.

  19. Preliminary studies of the effects of psychological stress on circulating lymphocytes analyzed by synchrotron radiation based-Fourier transform infrared microspectroscopy

    Science.gov (United States)

    Vargas-Caraveo, Alejandra; Castillo-Michel, Hiram; Mejia-Carmona, Gloria Erika; Pérez-Ishiwara, David Guillermo; Cotte, Marine; Martínez-Martínez, Alejandro

    2014-07-01

    Psychological stress is a condition that not only generates behavioral disorders but also disrupts homeostasis and immune activity that can exacerbate or lead to inflammatory diseases. The aim of this work was to study biochemical changes in circulating immune cells from rats under psychological stress by using vibrational spectroscopy. A stress model was used, where exposure to a stressor was repeated for 5 days. Subsequently, circulating lymphocytes were examined for their biomolecular vibrational fingerprints with synchrotron radiation based-Fourier transform infrared microspectroscopy. The results showed an increased absorption at the ester lipid region (1720-1755 cm-1) in lymphocytes from stressed rats, suggesting lipid peroxidation. Statistical significant changes in wavenumber peak position and absorbance in the nucleic acid region were also observed (915-950 cm-1 Z-DNA, 1090-1150 cm-1 symmetric stretching of Psbnd Osbnd C, 1200-1260 cm-1 asymmetric PO2 and 1570-1510 cm-1 methylated nucleotides) which suggest a reduction of transcriptional activity in lymphocytes from stressed rat. These results unravel part of the mechanisms by which psychological stress may affect the immune system leading to systemic consequences.

  20. Anaerobic digestion of solid slaughterhouse waste: study of biological stabilization by Fourier Transform infrared spectroscopy and thermogravimetry combined with mass spectrometry.

    Science.gov (United States)

    Cuetos, María José; Gómez, Xiomar; Otero, Marta; Morán, Antonio

    2010-07-01

    In this paper, Fourier Transform infrared spectroscopy (FTIR) along with thermogravimetric analysis together with mass spectrometry (TG-MS analysis) were employed to study the organic matter transformation attained under anaerobic digestion of slaughterhouse waste and to establish the stability of the digestates obtained when compared with fresh wastes. Digestate samples studied were obtained from successful digestion and failed systems treating slaughterhouse waste and the organic fraction of municipal solid wastes. The FTIR spectra and TG profiles from well stabilized products (from successful digestion systems) showed an increase in the aromaticity degree and the reduction of volatile content and aliphatic structures as stabilization proceeded. On the other hand, the FTIR spectra of non-stable reactors showed a high aliphaticity degree and fat content. When comparing differential thermogravimetry (DTG) profiles of the feed and digestate samples obtained from all successful anaerobic systems, a reduction in the intensity of the low-temperature range (approximately 300 degrees C) peak was observed, while the weight loss experienced at high-temperature (450-550 degrees C) was variable for the different systems. Compared to the original waste, the intensity of the weight loss peak in the high-temperature range decreased in the reactors with higher hydraulic retention time (HRT) whereas its intensity increased and the peak was displaced to higher temperatures for the digesters with lower HRT.

  1. A Catalytic Path for Electrolyte Reduction in Lithium-Ion Cells Revealed by in Situ Attenuated Total Reflection-Fourier Transform Infrared Spectroscopy

    KAUST Repository

    Shi, Feifei

    2015-03-11

    © 2015 American Chemical Society. Although controlling the interfacial chemistry of electrodes in Li-ion batteries (LIBs) is crucial for maintaining the reversibility, electrolyte decomposition has not been fully understood. In this study, electrolyte decomposition on model electrode surfaces (Au and Sn) was investigated by in situ attenuated total reflection-Fourier transform infrared (ATR-FTIR) spectroscopy. Simultaneously obtained ATR-FTIR spectra and cyclic voltammetry measurements show that lithium ethylene dicarbonate and lithium propionate form on the Au electrode at 0.6 V, whereas diethyl 2,5-dioxahexane dicarboxylate and lithium propionate form on the Sn electrode surface at 1.25 V. A noncatalytic reduction path on the Au surface and a catalytic reduction path on the Sn surface are introduced to explain the surface dependence of the overpotential and product selectivity. This represents a new concept for explaining electrolyte reactions on the anode of LIBs. The present investigation shows that catalysis plays a dominant role in the electrolyte decomposition process and has important implications in electrode surface modification and electrolyte recipe selection, which are critical factors for enhancing the efficiency, durability, and reliability of LIBs.

  2. Structural features and functional properties of water in model DMPC membranes: thermally stimulated depolarization currents (TSDCs) and Fourier transform infrared (FTIR) studies

    Science.gov (United States)

    Bridelli, M. G.; Capelletti, R.; Mora, C.

    2013-12-01

    Thermally stimulated depolarization currents (TSDCs) and Fourier transform infrared (FTIR) spectroscopies were employed to investigate the state of water incorporated in a model DMPC (dimyristoyl-phosphatidylcholine) membrane. The lipid multilayers, highly inhomogeneous from the dielectric point of view, originate complex TSDC spectra critically dependent on the sample water content and thermal history. Different temperature ranges were chosen to polarize the sample, i.e. 100-300 K (type I) and 100-285 K (type II). The purpose of the latter choice was to avoid any sample heating above the DMPC phase transition temperature (295 K) along the sample polarization. According to the results, water in a fully hydrated system (aw = 0.92) (1) is ordered around the hydrophilic head molecular groups, (2) is layered in the interbilayer space and (3) penetrates among the hydrocarbon chains. It can assume different local structural configurations depending on the lipid packing. Irreversible conformational transitions in the lipid array system were monitored as a consequence of different dehydration treatments. FTIR absorption measurements were performed to study the water sorption kinetics into a DMPC thin film. The water related OH band was decomposed into three components, describing three water states, with different propensity to the H-bond formation. The changes of the lipid characteristic groups (CH2/CH3, PO_{2}^{-} and C=O) absorption bands as a function of increasing hydration level were monitored and discussed.

  3. Structural features and functional properties of water in model DMPC membranes: thermally stimulated depolarization currents (TSDCs) and Fourier transform infrared (FTIR) studies

    International Nuclear Information System (INIS)

    Bridelli, M G; Capelletti, R; Mora, C

    2013-01-01

    Thermally stimulated depolarization currents (TSDCs) and Fourier transform infrared (FTIR) spectroscopies were employed to investigate the state of water incorporated in a model DMPC (dimyristoyl-phosphatidylcholine) membrane. The lipid multilayers, highly inhomogeneous from the dielectric point of view, originate complex TSDC spectra critically dependent on the sample water content and thermal history. Different temperature ranges were chosen to polarize the sample, i.e. 100–300 K (type I) and 100–285 K (type II). The purpose of the latter choice was to avoid any sample heating above the DMPC phase transition temperature (295 K) along the sample polarization. According to the results, water in a fully hydrated system (a w  = 0.92) (1) is ordered around the hydrophilic head molecular groups, (2) is layered in the interbilayer space and (3) penetrates among the hydrocarbon chains. It can assume different local structural configurations depending on the lipid packing. Irreversible conformational transitions in the lipid array system were monitored as a consequence of different dehydration treatments. FTIR absorption measurements were performed to study the water sorption kinetics into a DMPC thin film. The water related OH band was decomposed into three components, describing three water states, with different propensity to the H-bond formation. The changes of the lipid characteristic groups (CH 2 /CH 3 , PO 2 − and C=O) absorption bands as a function of increasing hydration level were monitored and discussed. (paper)

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

    Science.gov (United States)

    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.

  5. Red Wine Age Estimation by the Alteration of Its Color Parameters: Fourier Transform Infrared Spectroscopy as a Tool to Monitor Wine Maturation Time.

    Science.gov (United States)

    Basalekou, M; Pappas, C; Kotseridis, Y; Tarantilis, P A; Kontaxakis, E; Kallithraka, S

    2017-01-01

    Color, phenolic content, and chemical age values of red wines made from Cretan grape varieties (Kotsifali, Mandilari) were evaluated over nine months of maturation in different containers for two vintages. The wines differed greatly on their anthocyanin profiles. Mid-IR spectra were also recorded with the use of a Fourier Transform Infrared Spectrophotometer in ZnSe disk mode. Analysis of Variance was used to explore the parameter's dependency on time. Determination models were developed for the chemical age indexes using Partial Least Squares (PLS) (TQ Analyst software) considering the spectral region 1830-1500 cm -1 . The correlation coefficients ( r ) for chemical age index i were 0.86 for Kotsifali (Root Mean Square Error of Calibration (RMSEC) = 0.067, Root Mean Square Error of Prediction (RMSEP) = 0,115, and Root Mean Square Error of Validation (RMSECV) = 0.164) and 0.90 for Mandilari (RMSEC = 0.050, RMSEP = 0.040, and RMSECV = 0.089). For chemical age index ii the correlation coefficients ( r ) were 0.86 and 0.97 for Kotsifali (RMSEC 0.044, RMSEP = 0.087, and RMSECV = 0.214) and Mandilari (RMSEC = 0.024, RMSEP = 0.033, and RMSECV = 0.078), respectively. The proposed method is simpler, less time consuming, and more economical and does not require chemical reagents.

  6. 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

    Science.gov (United States)

    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.

  7. Differentiation between probiotic and wild-type Bacillus cereus isolates by antibiotic susceptibility test and Fourier transform infrared spectroscopy (FT-IR).

    Science.gov (United States)

    Mietke, Henriette; Beer, W; Schleif, Julia; Schabert, G; Reissbrodt, R

    2010-05-30

    Animal feed often contains probiotic Bacillus strains used as feed additives. Spores of the non-pathogenic B. cereus var. toyoi (product name Toyocerin) are used. Distinguishing between toxic wild-type Bacillus cereus strains and this probiotic strain is essential for evaluating the quality and risk of feed. Bacillus cereus CIP 5832 (product name Paciflor was used as probiotic strain until 2001. The properties of the two probiotic strains are quite similar. Differentiating between probiotic strains and wild-type B. cereus strains is not easy. ss-lactam antibiotics such as penicillin and cefamandole exhibit an inhibition zone in the agar diffusion test of probiotic B. cereus strains which are not seen for wild-type strains. Therefore, performing the agar diffusion test first may make sense before FT-IR testing. When randomly checking these strains by Fourier transform infrared spectroscopy (FT-IR), the probiotic B. cereus strains were separated from wild-type B. cereus/B. thuringiensis/B. mycoides/B. weihenstephanensis strains by means of hierarchical cluster analysis. The discriminatory information was contained in the spectral windows 3000-2800 cm(-1) ("fatty acid region"), 1200-900 cm(-1) ("carbohydrate region") and 900-700 cm(-1) ("fingerprint region"). It is concluded that FT-IR spectroscopy can be used for the rapid quality control and risk analysis of animal feed containing probiotic B. cereus strains. (c) 2010 Elsevier B.V. All rights reserved.

  8. Fourier transform infrared microspectroscopic analysis of the effects of cereal type and variety within a type of grain on structural makeup in relation to rumen degradation kinetics.

    Science.gov (United States)

    Walker, Amanda M; Yu, Peiqiang; Christensen, Colleen R; Christensen, David A; McKinnon, John J

    2009-08-12

    The objectives of this study were to use Fourier transform infrared microspectroscopy (FTIRM) to determine structural makeup (features) of cereal grain endosperm tissue and to reveal and identify differences in protein and carbohydrate structural makeup between different cereal types (corn vs barley) and between different varieties within a grain (barley CDC Bold, CDC Dolly, Harrington, and Valier). Another objective was to investigate how these structural features relate to rumen degradation kinetics. The items assessed included (1) structural differences in protein amide I to nonstructural carbohydrate (NSC, starch) intensity and ratio within cellular dimensions; (2) molecular structural differences in the secondary structure profile of protein, alpha-helix, beta-sheet, and their ratio; (3) structural differences in NSC to amide I ratio profile. From the results, it was observed that (1) comparison between grain types [corn (cv. Pioneer 39P78) vs barley (cv. Harrington)] showed significant differences in structural makeup in terms of NSC, amide I to NSC ratio, and rumen degradation kinetics (degradation ratio, effective degradability of dry matter, protein and NSC) (P makeup in terms of amide I, NSC, amide I to NSC ratio, alpha-helix and beta-sheet protein structures, and rumen degradation kinetics (effective degradability of dry matter, protein, and NSC) (P makeup differences between cereal types and between different varieties within a type of grain could be revealed. These structural makeup differences were related to the rate and extent of rumen degradation.

  9. Photodissociation of gaseous CH3COSH at 248 nm by time-resolved Fourier-transform infrared emission spectroscopy: Observation of three dissociation channels

    International Nuclear Information System (INIS)

    Hu, En-Lan; Tsai, Po-Yu; Fan, He; Lin, King-Chuen

    2013-01-01

    Upon one-photon excitation at 248 nm, gaseous CH 3 C(O)SH is dissociated following three pathways with the products of (1) OCS + CH 4 , (2) CH 3 SH + CO, and (3) CH 2 CO + H 2 S that are detected using time-resolved Fourier-transform infrared emission spectroscopy. The excited state 1 (n O , π * CO ) has a radiative lifetime of 249 ± 11 ns long enough to allow for Ar collisions that induce internal conversion and enhance the fragment yields. The rate constant of collision-induced internal conversion is estimated to be 1.1 × 10 −10 cm 3 molecule −1 s −1 . Among the primary dissociation products, a fraction of the CH 2 CO moiety may undergo further decomposition to CH 2 + CO, of which CH 2 is confirmed by reaction with O 2 producing CO 2 , CO, OH, and H 2 CO. Such a secondary decomposition was not observed previously in the Ar matrix-isolated experiments. The high-resolution spectra of CO are analyzed to determine the ro-vibrational energy deposition of 8.7 ± 0.7 kcal/mol, while the remaining primary products with smaller rotational constants are recognized but cannot be spectrally resolved. The CO fragment detected is mainly ascribed to the primary production. A prior distribution method is applied to predict the vibrational distribution of CO that is consistent with the experimental findings.

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

    Science.gov (United States)

    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.

  11. Rapid measurement of human milk macronutrients in the neonatal intensive care unit: accuracy and precision of fourier transform mid-infrared spectroscopy.

    Science.gov (United States)

    Smilowitz, Jennifer T; Gho, Deborah S; Mirmiran, Majid; German, J Bruce; Underwood, Mark A

    2014-05-01

    Although it is well established that human milk varies widely in macronutrient content, it remains common for human milk fortification for premature infants to be based on historic mean values. As a result, those caring for premature infants often underestimate protein intake. Rapid precise measurement of human milk protein, fat, and lactose to allow individualized fortification has been proposed for decades but remains elusive due to technical challenges. This study aimed to evaluate the accuracy and precision of a Fourier transform (FT) mid-infrared (IR) spectroscope in the neonatal intensive care unit to measure human milk fat, total protein, lactose, and calculated energy compared with standard chemical analyses. One hundred sixteen breast milk samples across lactation stages from women who delivered at term (n = 69) and preterm (n = 5) were analyzed with the FT mid-IR spectroscope and with standard chemical methods. Ten of the samples were tested in replicate using the FT mid-IR spectroscope to determine repeatability. The agreement between the FT mid-IR spectroscope analysis and reference methods was high for protein and fat and moderate for lactose and energy. The intra-assay coefficients of variation for all outcomes were less than 3%. The FT mid-IR spectroscope demonstrated high accuracy in measurement of total protein and fat of preterm and term milk with high precision.

  12. Comparative investigation of Fourier transform infrared (FT-IR) spectroscopy and X-ray diffraction (XRD) in the determination of cotton fiber crystallinity.

    Science.gov (United States)

    Liu, Yongliang; Thibodeaux, Devron; Gamble, Gary; Bauer, Philip; VanDerveer, Don

    2012-08-01

    Despite considerable efforts in developing curve-fitting protocols to evaluate the crystallinity index (CI) from X-ray diffraction (XRD) measurements, in its present state XRD can only provide a qualitative or semi-quantitative assessment of the amounts of crystalline or amorphous fraction in a sample. The greatest barrier to establishing quantitative XRD is the lack of appropriate cellulose standards, which are needed to calibrate the XRD measurements. In practice, samples with known CI are very difficult to prepare or determine. In a previous study, we reported the development of a simple algorithm for determining fiber crystallinity information from Fourier transform infrared (FT-IR) spectroscopy. Hence, in this study we not only compared the fiber crystallinity information between FT-IR and XRD measurements, by developing a simple XRD algorithm in place of a time-consuming and subjective curve-fitting process, but we also suggested a direct way of determining cotton cellulose CI by calibrating XRD with the use of CI(IR) as references.

  13. Identification of Quercus agrifolia (coast live oak resistant to the invasive pathogen Phytophthora ramorum in native stands using Fourier-transform infrared (FT-IR spectroscopy

    Directory of Open Access Journals (Sweden)

    Anna Olivia Conrad

    2014-10-01

    Full Text Available Over the last two decades coast live oak (CLO dominance in many California coastal ecosystems has been threatened by the alien invasive pathogen Phytophthora ramorum, the causal agent of sudden oak death. In spite of high infection and mortality rates in some areas, the presence of apparently resistant trees has been observed, including trees that become infected but recover over time. However, identifying resistant trees based on recovery alone can take many years. The objective of this study was to determine if Fourier-transform infrared (FT-IR spectroscopy, a chemical fingerprinting technique, can be used to identify CLO resistant to P. ramorum prior to infection. Soft independent modeling of class analogy identified spectral regions that differed between resistant and susceptible trees. Regions most useful for discrimination were associated with carbonyl group vibrations. Additionally, concentrations of two putative phenolic biomarkers of resistance were predicted using partial least squares regression; > 99% of the variation was explained by this analysis. This study demonstrates that chemical fingerprinting can be used to identify resistance in a natural population of forest trees prior to infection with a pathogen. FT-IR spectroscopy may be a useful approach for managing forests impacted by sudden oak death, as well as in other situations where emerging or existing forest pests and diseases are of concern.

  14. Quantification of hydrolysis of toxic organophosphates and organophosphonates by diisopropyl fluorophosphatase from Loligo vulgaris by in situ Fourier transform infrared spectroscopy.

    Science.gov (United States)

    Gäb, Jürgen; Melzer, Marco; Kehe, Kai; Richardt, André; Blum, Marc-Michael

    2009-02-15

    The enzyme diisopropyl fluorophosphatase (DFPase) from the squid Loligo vulgaris effectively catalyzes the hydrolysis of diisopropyl fluorophosphate (DFP) and a number of organophosphorus nerve agents, including sarin, soman, cyclosarin, and tabun. Up to now, the determination of kinetic data has been achieved by techniques such as pH-stat titration, ion-selective electrodes, and fluorogenic substrate analogs. We report a new assaying method using in situ Fourier transform infrared (FTIR) spectroscopy with attenuated total reflection (ATR) for the real-time determination of reaction rates. The method employs changes in the P-O-R stretching vibration of DFP and nerve agent substrates when hydrolyzed to their corresponding phosphoric and phosphonic acids. It is shown that the Lambert-Beer law holds and that changes in absorbance can be directly related to changes in concentration. Compared with other methods, the use of in situ FTIR spectroscopy results in a substantially reduced reaction volume that adds extra work safety when handling highly toxic substrates. In addition, the new method allows the noninvasive measurement of buffered solutions with varying ionic strengths complementing existing methods. Because the assay is independent of the used enzyme, it should also be applicable to other phosphotriesterase enzymes such as organophosphorus hydrolase (OPH), organophosphorus acid anhydrolase (OPAA), and paraoxonase (PON).

  15. Simultaneous determination of glucose, triglycerides, urea, cholesterol, albumin and total protein in human plasma by Fourier transform infrared spectroscopy: direct clinical biochemistry without reagents.

    Science.gov (United States)

    Jessen, Torben E; Höskuldsson, Agnar T; Bjerrum, Poul J; Verder, Henrik; Sørensen, Lars; Bratholm, Palle S; Christensen, Bo; Jensen, Lene S; Jensen, Maria A B

    2014-09-01

    Direct measurement of chemical constituents in complex biologic matrices without the use of analyte specific reagents could be a step forward toward the simplification of clinical biochemistry. Problems related to reagents such as production errors, improper handling, and lot-to-lot variations would be eliminated as well as errors occurring during assay execution. We describe and validate a reagent free method for direct measurement of six analytes in human plasma based on Fourier-transform infrared spectroscopy (FTIR). Blood plasma is analyzed without any sample preparation. FTIR spectrum of the raw plasma is recorded in a sampling cuvette specially designed for measurement of aqueous solutions. For each analyte, a mathematical calibration process is performed by a stepwise selection of wavelengths giving the optimal least-squares correlation between the measured FTIR signal and the analyte concentration measured by conventional clinical reference methods. The developed calibration algorithms are subsequently evaluated for their capability to predict the concentration of the six analytes in blinded patient samples. The correlation between the six FTIR methods and corresponding reference methods were 0.87albumin and total protein in human plasma. Copyright © 2014 The Canadian Society of Clinical Chemists. Published by Elsevier Inc. All rights reserved.

  16. Detecting the quality of glycerol monolaurate: a method for using Fourier transform infrared spectroscopy with wavelet transform and modified uninformative variable elimination.

    Science.gov (United States)

    Chen, Xiaojing; Wu, Di; He, Yong; Liu, Shou

    2009-04-06

    Glycerol monolaurate (GML) products contain many impurities, such as lauric acid and glucerol. The GML content is an important quality indicator for GML production. A hybrid variable selection algorithm, which is a combination of wavelet transform (WT) technology and modified uninformative variable eliminate (MUVE) method, was proposed to extract useful information from Fourier transform infrared (FT-IR) transmission spectroscopy for the determination of GML content. FT-IR spectra data were compressed by WT first; the irrelevant variables in the compressed wavelet coefficients were eliminated by MUVE. In the MUVE process, simulated annealing (SA) algorithm was employed to search the optimal cutoff threshold. After the WT-MUVE process, variables for the calibration model were reduced from 7366 to 163. Finally, the retained variables were employed as inputs of partial least squares (PLS) model to build the calibration model. For the prediction set, the correlation coefficient (r) of 0.9910 and root mean square error of prediction (RMSEP) of 4.8617 were obtained. The prediction result was better than the PLS model with full-spectra data. It was indicated that proposed WT-MUVE method could not only make the prediction more accurate, but also make the calibration model more parsimonious. Furthermore, the reconstructed spectra represented the projection of the selected wavelet coefficients into the original domain, affording the chemical interpretation of the predicted results. It is concluded that the FT-IR transmission spectroscopy technique with the proposed method is promising for the fast detection of GML content.