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Sample records for akari infrared spectroscopy

  1. The infrared astronomical mission AKARI

    NARCIS (Netherlands)

    Murakami, Hiroshi; Baba, Hajime; Barthel, Peter; Clements, David L.; Cohen, Martin; Doi, Yasuo; Enya, Keigo; Figueredo, Elysandra; Fujishiro, Naofumi; Fujiwara, Hideaki; Fujiwara, Mikio; Garcia-Lario, Pedro; Goto, Tomotsugu; Hasegawa, Sunao; Hibi, Yasunori; Hirao, Takanori; Hiromoto, Norihisa; Hong, Seung Soo; Imai, Koji; Ishigaki, Miho; Ishiguro, Masateru; Ishihara, Daisuke; Ita, Yoshifusa; Jeong, Woong-Seob; Jeong, Kyung Sook; Kaneda, Hidehiro; Kataza, Hirokazu; Kawada, Mitsunobu; Kawai, Toshihide; Kawamura, Akiko; Kessler, Martin F.; Kester, Do; Kii, Tsuneo; Kim, Dong Chan; Kim, Wjung; Kobayashi, Hisato; Koo, Bon Chul; Kwon, Suk Minn; Lee, Hyung Mok; Lorente, Rosario; Makiuti, Sin'itirou; Matsuhara, Hideo; Matsumoto, Toshio; Matsuo, Hiroshi; Matsuura, Shuji; Mueller, Thomas G.; Murakami, Noriko; Nagata, Hirohisa; Nakagawa, Takao; Naoi, Takahiro; Narita, Masanao; Noda, Manabu; Oh, Sang Hoon; Ohnishi, Akira; Ohyama, Youichi; Okada, Yoko; Okuda, Haruyuki; Oliver, Sebastian; Onaka, Takashi; Ootsubo, Takafumi; Oyabu, Shinki; Pak, Sojong; Park, Yong-Sun; Pearson, Chris P.; Rowan-Robinson, Michael; Saito, Toshinobu; Sakon, Itsuki; Salama, Alberto; Sato, Shinji; Savage, Richard S.; Serjeant, Stephen; Shibai, Hiroshi; Shirahata, Mai; Sohn, Jungjoo; Suzuki, Toyoaki; Takagi, Toshinobu; Takahashi, Hidenori; Tanabe, Toshihiko; Takeuchi, Tsutomu T.; Takita, Satoshi; Thomson, Matthew; Uemizu, Kazunori; Ueno, Munetaka; Usui, Fumihiko; Verdugo, Eva; Wada, Takehiko; Wang, Lingyu; Watabe, Toyoki; Watarai, Hidenori; White, Glenn J.; Yamamura, Issei; Yamauchi, Chisato; Yasuda, Akiko

    2007-01-01

    AKARI, the first Japanese satellite dedicated to infrared astronomy, was launched on 2006 February 21, and started observations in May of the same year. AKARI has a 68.5 cm cooled telescope, together with two focal-plane instruments, which survey the sky in six wavelength bands from mid- to

  2. The Infrared Astronomical Mission AKARI*

    Science.gov (United States)

    Murakami, Hiroshi; Baba, Hajime; Barthel, Peter; Clements, David L.; Cohen, Martin; Doi, Yasuo; Enya, Keigo; Figueredo, Elysandra; Fujishiro, Naofumi; Fujiwara, Hideaki; Fujiwara, Mikio; Garcia-Lario, Pedro; Goto, Tomotsugu; Hasegawa, Sunao; Hibi, Yasunori; Hirao, Takanori; Hiromoto, Norihisa; Hong, Seung Soo; Imai, Koji; Ishigaki, Miho; Ishiguro, Masateru; Ishihara, Daisuke; Ita, Yoshifusa; Jeong, Woong-Seob; Jeong, Kyung Sook; Kaneda, Hidehiro; Kataza, Hirokazu; Kawada, Mitsunobu; Kawai, Toshihide; Kawamura, Akiko; Kessler, Martin F.; Kester, Do; Kii, Tsuneo; Kim, Dong Chan; Kim, Woojung; Kobayashi, Hisato; Koo, Bon Chul; Kwon, Suk Minn; Lee, Hyung Mok; Lorente, Rosario; Makiuti, Sin'itirou; Matsuhara, Hideo; Matsumoto, Toshio; Matsuo, Hiroshi; Matsuura, Shuji; MÜller, Thomas G.; Murakami, Noriko; Nagata, Hirohisa; Nakagawa, Takao; Naoi, Takahiro; Narita, Masanao; Noda, Manabu; Oh, Sang Hoon; Ohnishi, Akira; Ohyama, Youichi; Okada, Yoko; Okuda, Haruyuki; Oliver, Sebastian; Onaka, Takashi; Ootsubo, Takafumi; Oyabu, Shinki; Pak, Soojong; Park, Yong-Sun; Pearson, Chris P.; Rowan-Robinson, Michael; Saito, Toshinobu; Sakon, Itsuki; Salama, Alberto; Sato, Shinji; Savage, Richard S.; Serjeant, Stephen; Shibai, Hiroshi; Shirahata, Mai; Sohn, Jungjoo; Suzuki, Toyoaki; Takagi, Toshinobu; Takahashi, Hidenori; TanabÉ, Toshihiko; Takeuchi, Tsutomu T.; Takita, Satoshi; Thomson, Matthew; Uemizu, Kazunori; Ueno, Munetaka; Usui, Fumihiko; Verdugo, Eva; Wada, Takehiko; Wang, Lingyu; Watabe, Toyoki; Watarai, Hidenori; White, Glenn J.; Yamamura, Issei; Yamauchi, Chisato; Yasuda, Akiko

    2007-10-01

    AKARI, the first Japanese satellite dedicated to infrared astronomy, was launched on 2006 February 21, and started observations in May of the same year. AKARI has a 68.5 cm cooled telescope, together with two focal-plane instruments, which survey the sky in six wavelength bands from the mid- to far-infrared. The instruments also have the capability for imaging and spectroscopy in the wavelength range 2 - 180 micron in the pointed observation mode, occasionally inserted into the continuous survey operation. The in-orbit cryogen lifetime is expected to be one and a half years. The All-Sky Survey will cover more than 90 percent of the whole sky with higher spatial resolution and wider wavelength coverage than that of the previous IRAS all-sky survey. Point source catalogues of the All-Sky Survey will be released to the astronomical community. The pointed observations will be used for deep surveys of selected sky areas and systematic observations of important astronomical targets. These will become an additional future heritage of this mission.

  3. ON THE RADII OF BROWN DWARFS MEASURED WITH AKARI NEAR-INFRARED SPECTROSCOPY

    International Nuclear Information System (INIS)

    Sorahana, S.; Yamamura, I.; Murakami, H.

    2013-01-01

    We derive the radii of 16 brown dwarfs observed by AKARI using their parallaxes and the ratios of observed to model fluxes. We find that the brown dwarf radius ranges between 0.64-1.13 R J with an average radius of 0.83 R J . We find a trend in the relation between radii and T eff ; the radius is at a minimum at T eff ∼ 1600 K, which corresponds to the spectral types of mid- to late-L. The result is interpreted by a combination of radius-mass and radius-age relations that are theoretically expected for brown dwarfs older than 10 8 yr.

  4. The Far-Infrared Surveyor (FIS) for AKARI

    NARCIS (Netherlands)

    Kawada, Mitsunobu; Baba, Hajime; Barthel, Peter D.; Clements, David; Cohen, Martin; Doi, Yasuo; Figueredo, Elysandra; Fujiwara, Mikio; Goto, Tomotsugu; Hasegawa, Sunao; Hibi, Yasunori; Hirao, Takanori; Hiromoto, Norihisa; Jeong, Woong-Seob; Kaneda, Hidehiro; Kawai, Toshihide; Kawamura, Akiko; Kester, Do; Kii, Tsuneo; Kobayashi, Hisato; Kwon, Suk Minn; Lee, Hyung Mok; Makiuti, Sin'itirou; Matsuo, Hiroshi; Matsuura, Shuji; Mueller, Thomas G.; Murakami, Noriko; Nagata, Hirohisa; Nakagawa, Takao; Narita, Masanao; Noda, Manabu; Oh, Sang Hoon; Okada, Yoko; Okuda, Haruyuki; Oliver, Sebastian; Ootsubo, Takafumi; Pak, Soojong; Park, Yong-Sun; Pearson, Chris P.; Rowan-Robinson, Michael; Saito, Toshinobu; Salama, Alberto; Sato, Shinji; Savage, Richard S.; Serjeant, Stephen; Shibai, Hiroshi; Shirahata, Mai; Sohn, Jungjoo; Suzuki, Toyoaki; Takagi, Toshinobu; Takahashi, Hidenori; Thomson, Matthew; Usui, Fumihiko; Verdugo, Eva; Watabe, Toyoki; White, Glenn J.; Wang, Lingyu; Yamamura, Issei; Yamauchi, Chisato; Yasuda, Akiko

    2007-01-01

    The Far-Infrared Surveyor (FIS) is one of two focal-plane instruments on the AKARI satellite. FIS has four photometric bands at 65, 90, 140, and 160 mu m, and uses two kinds of array detectors. The FIS arrays and optics are designed to sweep the sky with high spatial resolution and redundancy. The

  5. The Far-Infrared Surveyor (FIS) for AKARI

    OpenAIRE

    Kawada, Mitsunobu; Baba, Hajime; Barthel, Peter D.; Clements, David; Cohen, Martin; Doi, Yasuo; Figueredo, Elysandra; Fujiwara, Mikio; Goto, Tomotsugu; Hasegawa, Sunao; Hibi, Yasunori; Hirao, Takanori; Hiromoto, Norihisa; Jeong, Woong-Seob; Kaneda, Hidehiro

    2007-01-01

    The Far-Infrared Surveyor (FIS) is one of two focal plane instruments on the AKARI satellite. FIS has four photometric bands at 65, 90, 140, and 160 um, and uses two kinds of array detectors. The FIS arrays and optics are designed to sweep the sky with high spatial resolution and redundancy. The actual scan width is more than eight arcmin, and the pixel pitch is matches the diffraction limit of the telescope. Derived point spread functions (PSFs) from observations of asteroids are similar to ...

  6. EFFICIENT SELECTION AND CLASSIFICATION OF INFRARED EXCESS EMISSION STARS BASED ON AKARI AND 2MASS DATA

    Energy Technology Data Exchange (ETDEWEB)

    Huang Yafang; Li Jinzeng [National Astronomical Observatories, Chinese Academy of Sciences, 20A Datun Road, Chaoyang District, Beijing 100012 (China); Rector, Travis A. [University of Alaska, 3211 Providence Drive, Anchorage, AK 99508 (United States); Mallamaci, Carlos C., E-mail: ljz@nao.cas.cn [Observatorio Astronomico Felix Aguilar, Universidad Nacional de San Juan (Argentina)

    2013-05-15

    The selection of young stellar objects (YSOs) based on excess emission in the infrared is easily contaminated by post-main-sequence stars and various types of emission line stars with similar properties. We define in this paper stringent criteria for an efficient selection and classification of stellar sources with infrared excess emission based on combined Two Micron All Sky Survey (2MASS) and AKARI colors. First of all, bright dwarfs and giants with known spectral types were selected from the Hipparcos Catalogue and cross-identified with the 2MASS and AKARI Point Source Catalogues to produce the main-sequence and the post-main-sequence tracks, which appear as expected as tight tracks with very small dispersion. However, several of the main-sequence stars indicate excess emission in the color space. Further investigations based on the SIMBAD data help to clarify their nature as classical Be stars, which are found to be located in a well isolated region on each of the color-color (C-C) diagrams. Several kinds of contaminants were then removed based on their distribution in the C-C diagrams. A test sample of Herbig Ae/Be stars and classical T Tauri stars were cross-identified with the 2MASS and AKARI catalogs to define the loci of YSOs with different masses on the C-C diagrams. Well classified Class I and Class II sources were taken as a second test sample to discriminate between various types of YSOs at possibly different evolutionary stages. This helped to define the loci of different types of YSOs and a set of criteria for selecting YSOs based on their colors in the near- and mid-infrared. Candidate YSOs toward IC 1396 indicating excess emission in the near-infrared were employed to verify the validity of the new source selection criteria defined based on C-C diagrams compiled with the 2MASS and AKARI data. Optical spectroscopy and spectral energy distributions of the IC 1396 sample yield a clear identification of the YSOs and further confirm the criteria defined

  7. EFFICIENT SELECTION AND CLASSIFICATION OF INFRARED EXCESS EMISSION STARS BASED ON AKARI AND 2MASS DATA

    International Nuclear Information System (INIS)

    Huang Yafang; Li Jinzeng; Rector, Travis A.; Mallamaci, Carlos C.

    2013-01-01

    The selection of young stellar objects (YSOs) based on excess emission in the infrared is easily contaminated by post-main-sequence stars and various types of emission line stars with similar properties. We define in this paper stringent criteria for an efficient selection and classification of stellar sources with infrared excess emission based on combined Two Micron All Sky Survey (2MASS) and AKARI colors. First of all, bright dwarfs and giants with known spectral types were selected from the Hipparcos Catalogue and cross-identified with the 2MASS and AKARI Point Source Catalogues to produce the main-sequence and the post-main-sequence tracks, which appear as expected as tight tracks with very small dispersion. However, several of the main-sequence stars indicate excess emission in the color space. Further investigations based on the SIMBAD data help to clarify their nature as classical Be stars, which are found to be located in a well isolated region on each of the color-color (C-C) diagrams. Several kinds of contaminants were then removed based on their distribution in the C-C diagrams. A test sample of Herbig Ae/Be stars and classical T Tauri stars were cross-identified with the 2MASS and AKARI catalogs to define the loci of YSOs with different masses on the C-C diagrams. Well classified Class I and Class II sources were taken as a second test sample to discriminate between various types of YSOs at possibly different evolutionary stages. This helped to define the loci of different types of YSOs and a set of criteria for selecting YSOs based on their colors in the near- and mid-infrared. Candidate YSOs toward IC 1396 indicating excess emission in the near-infrared were employed to verify the validity of the new source selection criteria defined based on C-C diagrams compiled with the 2MASS and AKARI data. Optical spectroscopy and spectral energy distributions of the IC 1396 sample yield a clear identification of the YSOs and further confirm the criteria defined

  8. The Far-Infrared Surveyor (FIS) for AKARI

    Science.gov (United States)

    Kawada, M.; Baba, H.; Barthel, P. D.; Clements, D.; Cohen, M.; Doi, Y.; Figueredo, E.; Fujiwara, M.; Goto, T.; Hasegawa, S.; Hibi, Y.; Hirao, T.; Hiromoto, N.; Jeong, W.-S.; Kaneda, H.; Kawai, T.; Kawamura, A.; Kester, D.; Kii, T.; Kobayashi, H.; Kwon, S. M.; Lee, H. M.; Makiuti, S.; Matsuo, H.; Matsuura, S.; Müller, T. G.; Murakami, N.; Nagata, H.; Nakagawa, T.; Narita, M.; Noda, M.; Oh, S. H.; Okada, Y.; Okuda, H.; Oliver, S.; Ootsubo, T.; Pak, S.; Park, Y.-S.; Pearson, C. P.; Rowan-Robinson, M.; Saito, T.; Salama, A.; Sato, S.; Savage, R. S.; Serjeant, S.; Shibai, H.; Shirahata, M.; Sohn, J.; Suzuki, T.; Takagi, T.; Takahashi, H.; Thomson, M.; Usui, F.; Verdugo, E.; Watabe, T.; White, G. J.; Wang, L.; Yamamura, I.; Yamauchi, C.; Yasuda, A.

    2007-10-01

    The Far-Infrared Surveyor (FIS) is one of two focal-plane instruments on the AKARI satellite. FIS has four photometric bands at 65, 90, 140, and 160 µm, and uses two kinds of array detectors. The FIS arrays and optics are designed to sweep the sky with high spatial resolution and redundancy. The actual scan width is more than eight arcminutes, and the pixel pitch matches the diffraction limit of the telescope. Derived point-spread functions (PSFs) from observations of asteroids are similar to those given by the optical model. Significant excesses, however, are clearly seen around tails of the PSFs, whose contributions are about 30% of the total power. All FIS functions are operating well in orbit, and the performance meets the laboratory characterizations, except for the two longer wavelength bands, which are not performing as well as characterized. Furthermore, the FIS has a spectroscopic capability using a Fourier transform spectrometer (FTS). Because the FTS takes advantage of the optics and detectors of the photometer, it can simultaneously make a spectral map. This paper summarizes the in-flight technical and operational performance of the FIS.

  9. Clustering of far-infrared galaxies in the AKARI All-Sky Survey North

    Science.gov (United States)

    Pollo, A.; Takeuchi, T. T.; Solarz, A.; Rybka, P.; Suzuki, T. L.; Pȩpiak, A.; Oyabu, S.

    2013-10-01

    We present the measurements of the angular two-point correlation function for AKARI 90-μm point sources, detected outside the Milky Way plane and other regions characterized by high Galactic extinction in the northern Galactic hemisphere, and categorized as extragalactic sources according to our far-infrared-color based criterion. Together with our previous work (Pollo et al., 2013) this is the first measurement of the large-scale angular clustering of galaxies selected in the far-infrared after IRAS. We present the first attempt to estimate the spatial clustering properties of AKARI All-Sky galaxies and we conclude that they are mostly a very nearby ( z ≤ 0.1) population of moderately clustered galaxies. We measure their correlation length r 0 ~ 4.5 h -1 Mpc, which is consistent with the assumption that the FIS AKARI All-Sky surveys observes mostly a nearby star-forming population of galaxies.

  10. AKARI INFRARED CAMERA SURVEY OF THE LARGE MAGELLANIC CLOUD. II. THE NEAR-INFRARED SPECTROSCOPIC CATALOG

    International Nuclear Information System (INIS)

    Shimonishi, Takashi; Onaka, Takashi; Kato, Daisuke; Sakon, Itsuki; Ita, Yoshifusa; Kawamura, Akiko; Kaneda, Hidehiro

    2013-01-01

    We performed a near-infrared spectroscopic survey toward an area of ∼10 deg 2 of the Large Magellanic Cloud (LMC) with the infrared satellite AKARI. Observations were carried out as part of the AKARI Large-area Survey of the Large Magellanic Cloud (LSLMC). The slitless multi-object spectroscopic capability of the AKARI/IRC enabled us to obtain low-resolution (R ∼ 20) spectra in 2-5 μm for a large number of point sources in the LMC. As a result of the survey, we extracted about 2000 infrared spectra of point sources. The data are organized as a near-infrared spectroscopic catalog. The catalog includes various infrared objects such as young stellar objects (YSOs), asymptotic giant branch (AGB) stars, supergiants, and so on. It is shown that 97% of the catalog sources have corresponding photometric data in the wavelength range from 1.2 to 11 μm, and 67% of the sources also have photometric data up to 24 μm. The catalog allows us to investigate near-infrared spectral features of sources by comparison with their infrared spectral energy distributions. In addition, it is estimated that about 10% of the catalog sources are observed at more than two different epochs. This enables us to study a spectroscopic variability of sources by using the present catalog. Initial results of source classifications for the LSLMC samples are presented. We classified 659 LSLMC spectra based on their near-infrared spectral features by visual inspection. As a result, it is shown that the present catalog includes 7 YSOs, 160 C-rich AGBs, 8 C-rich AGB candidates, 85 O-rich AGBs, 122 blue and yellow supergiants, 150 red super giants, and 128 unclassified sources. Distributions of the classified sources on the color-color and color-magnitude diagrams are discussed in the text. Continuous wavelength coverage and high spectroscopic sensitivity in 2-5 μm can only be achieved by space observations. This is an unprecedented large-scale spectroscopic survey toward the LMC in the near-infrared

  11. AKARI and Spinning Dust: A look at microwave dust emission via the Infrared

    Science.gov (United States)

    Bell, Aaron Christopher; Onaka, Takashi; Wu, Ronin; Doi, Yasuo

    2015-08-01

    Rapidly spinning dust particles having a permanent electric dipole moment have been shown to be a likely carrier of the anomalous microwave emission (AME), a continuous excess of microwave flux in the 10 to 90 GHz range. Small grains, possibly polycyclic aromatic hydrocarbons (PAHs), are a leading suspect. Due to the overlap frequency overlap with the CMB, the AME is requiring cosmologists to consider the ISM with more care. ISM astronomers are also needing to consider the contribution of cosmological radiation to large-scale dust investigations. We present data from AKARI/Infrared Camera (IRC) due to the effective PAH band coverage of its 9 um survey to investigate PAH emission within 98 AME candidate regions identified by Planck Collaboration et al. (2014). We supplement AKARI data with the four Infrared Astronomical Satellite (IRAS) all-sky maps and complement with the Planck High Frequency Instrument (HFI) bands at 857 and 545GHz to constrain the full dust SED. We sample analyse the SEDs of all 98 regions. We utilize all 7 AKARI photometric bands, as well as the 4 IRAS bands and 2 HFI. We carry out a modified blackbody fitting, and estimate the optical depth of thermal dust at 250 um, and compare this to AME parameters. We also show plots of each band's average intensity for all 98 regions vs. AME parameters. We find a positive trend between the optical depth and AME. In the band-by-band comparison the AKARI 9 um intensity shows a weaker trend with AME. In general, the MIR correlates less strongly with AME than the FIR. The optical depth vs. AME trend improves slightly when looking only at significant AME regions. Scaling the IR intensities by the ISRF strength G0 does not improve the correlations. We cannot offer strong support of a spinning dust model. The results highlight the need for full dust SED modelling, and for a better understanding of the role that magnetic dipole emission from dust grains could play in producing the AME.

  12. The infrared luminosity function of AKARI 90 μm galaxies in the local Universe

    Science.gov (United States)

    Kilerci Eser, Ece; Goto, Tomotsugu

    2018-03-01

    Local infrared (IR) luminosity functions (LFs) are necessary benchmarks for high-redshift IR galaxy evolution studies. Any accurate IR LF evolution studies require accordingly accurate local IR LFs. We present IR galaxy LFs at redshifts of z ≤ 0.3 from AKARI space telescope, which performed an all-sky survey in six IR bands (9, 18, 65, 90, 140, and 160 μm) with 10 times better sensitivity than its precursor Infrared Astronomical Satellite. Availability of 160 μm filter is critically important in accurately measuring total IR luminosity of galaxies, covering across the peak of the dust emission. By combining data from Wide-field Infrared Survey Explorer (WISE), Sloan Digital Sky Survey (SDSS) Data Release 13 (DR 13), six-degree Field Galaxy Survey and the 2MASS Redshift Survey, we created a sample of 15 638 local IR galaxies with spectroscopic redshifts, factor of 7 larger compared to previously studied AKARI-SDSS sample. After carefully correcting for volume effects in both IR and optical, the obtained IR LFs agree well with previous studies, but comes with much smaller errors. Measured local IR luminosity density is ΩIR = 1.19 ± 0.05 × 108L⊙ Mpc-3. The contributions from luminous IR galaxies and ultraluminous IR galaxies to ΩIR are very small, 9.3 per cent and 0.9 per cent, respectively. There exists no future all-sky survey in far-IR wavelengths in the foreseeable future. The IR LFs obtained in this work will therefore remain an important benchmark for high-redshift studies for decades.

  13. AKARI INFRARED CAMERA SURVEY OF THE LARGE MAGELLANIC CLOUD. I. POINT-SOURCE CATALOG

    International Nuclear Information System (INIS)

    Kato, Daisuke; Onaka, Takashi; Shimonishi, Takashi; Sakon, Itsuki; Ita, Yoshifusa; Tanabé, Toshihiko; Takahashi, Hidenori; Kaneda, Hidehiro; Kawamura, Akiko; Wada, Takehiko; Usui, Fumihiko; Koo, Bon-Chul; Matsuura, Mikako

    2012-01-01

    We present a near- to mid-infrared point-source catalog of five photometric bands at 3.2, 7, 11, 15, and 24 μm for a 10 deg 2 area of the Large Magellanic Cloud (LMC) obtained with the Infrared Camera on board the AKARI satellite. To cover the survey area the observations were carried out at three separate seasons from 2006 May to June, 2006 October to December, and 2007 March to July. The 10σ limiting magnitudes of the present survey are 17.9, 13.8, 12.4, 9.9, and 8.6 mag at 3.2, 7, 11, 15, and 24 μm, respectively. The photometric accuracy is estimated to be about 0.1 mag at 3.2 μm and 0.06-0.07 mag in the other bands. The position accuracy is 0.''3 at 3.2, 7, and 11 μm and 1.''0 at 15 and 24 μm. The sensitivities at 3.2, 7, and 24 μm are roughly comparable to those of the Spitzer SAGE LMC point-source catalog, while the AKARI catalog provides the data at 11 and 15 μm, covering the mid-infrared spectral range contiguously. Two types of catalog are provided: a Catalog and an Archive. The Archive contains all the detected sources, while the Catalog only includes the sources that have a counterpart in the Spitzer SAGE point-source catalog. The Archive contains about 650,000, 140,000, 97,000, 43,000, and 52,000 sources at 3.2, 7, 11, 15, and 24 μm, respectively. Based on the catalog, we discuss the luminosity functions at each band, the color-color diagram, and the color-magnitude diagram using the 3.2, 7, and 11 μm band data. Stars without circumstellar envelopes, dusty C-rich and O-rich stars, young stellar objects, and background galaxies are located at distinct regions in the diagrams, suggesting that the present catalog is useful for the classification of objects toward the LMC.

  14. Clustering of far-infrared galaxies in the AKARI All-Sky Survey

    Science.gov (United States)

    Pollo, A.; Takeuchi, T. T.; Suzuki, T. L.; Oyabu, S.

    2013-03-01

    We present the first measurement of the angular two-point correlation function for AKARI 90-μm point sources, detected outside of the Milky Way plane and other regions characterized by high Galactic extinction, and categorized as extragalactic sources according to our far-infrared-color based criterion (Pollo et al., 2010). This is the first measurement of the large-scale angular clustering of galaxies selected in the far-infrared after IRAS measurements. Although a full description of the clustering properties of these galaxies will be obtained by more detailed studies, using either a spatial correlation function, or better information about properties and, at least, photometric redshifts of these galaxies, the angular correlation function remains the first diagnostic tool to establish the clustering properties of the catalog and the observed galaxy population. We find a non-zero clustering signal in both hemispheres extending up to ~40 degrees, without any significant fluctuations at larger scales. The observed correlation function is well fitted by a power-law function. The notable differences between the northern and southern hemispheres are found, which can probably be attributed to the photometry problems, and might point to the necessity of performing a better calibration in the data from the southern hemisphere.

  15. AKARI NEAR-INFRARED SPECTROSCOPIC SURVEY FOR CO{sub 2} IN 18 COMETS

    Energy Technology Data Exchange (ETDEWEB)

    Ootsubo, Takafumi [Astronomical Institute, Graduate School of Science, Tohoku University, Aramaki, Aoba-ku, Sendai 980-8578 (Japan); Kawakita, Hideyo; Hamada, Saki; Kobayashi, Hitomi; Yamaguchi, Mitsuru [Koyama Astronomical Observatory, Kyoto Sangyo University, Motoyama, Kamigamo, Kita-Ku, Kyoto 603-8555 (Japan); Usui, Fumihiko; Nakagawa, Takao; Ueno, Munetaka [Institute of Space and Astronautical Science, Japan Aerospace Exploration Agency, 3-1-1 Yoshinodai, Chuo-ku, Sagamihara, Kanagawa 252-5210 (Japan); Ishiguro, Masateru [Department of Physics and Astronomy, Seoul National University, 599 Gwanak-ro, Gwanak-gu, Seoul 151-742 (Korea, Republic of); Sekiguchi, Tomohiko [Department of Teacher Training, Hokkaido University of Education, Asahikawa Campus, Hokumon 9, Asahikawa, Hokkaido 070-8621 (Japan); Watanabe, Jun-ichi [National Astronomical Observatory of Japan, 2-21-1 Osawa, Mitaka, Tokyo 181-8588 (Japan); Sakon, Itsuki; Shimonishi, Takashi; Onaka, Takashi, E-mail: ootsubo@astr.tohoku.ac.jp [Department of Astronomy, Graduate School of Science, The University of Tokyo, 7-3-1 Hongo, Bunkyo-ku, Tokyo 113-0033 (Japan)

    2012-06-10

    We conducted a spectroscopic survey of cometary volatiles with the Infrared Camera on board the Japanese infrared satellite AKARI in the wavelength range from 2.5 to 5 {mu}m. In our survey, 18 comets, including both the Oort cloud comets and the Jupiter-family comets, were observed in the period from 2008 June to 2010 January, most of which were observed at least twice. The prominent emission bands in the observed spectra are the fundamental vibrational bands of water (H{sub 2}O) at 2.7 {mu}m and carbon dioxide (CO{sub 2}) at 4.3 {mu}m. The fundamental vibrational band of carbon monoxide (CO) around 4.7 {mu}m and the broad emission feature, probably related to carbon-hydrogen-bearing molecules, can also be recognized around the 3.3-3.5-{mu}m region in some of the comets. With respect to H{sub 2}O, gas production rate ratios of CO{sub 2} have been derived in 17 comets, except for the comet 29P/Schwassmann-Wachmann 1. Our data set provides the largest homogeneous database of CO{sub 2}/H{sub 2}O production rate ratios in comets obtained so far. The CO{sub 2}/H{sub 2}O production rate ratios are considered to reflect the composition of cometary ice when a comet is observed at a heliocentric distance within {approx}2.5 AU, since H{sub 2}O ice fully sublimates there. The CO{sub 2}/H{sub 2}O ratio in cometary ice spans from several to {approx}30% among the comets observed at <2.5 AU (13 out of the 17 comets). Alternatively, the ratio of CO/CO{sub 2} in the comets seems to be smaller than unity based on our observations, although we only obtain upper limits for CO in most of the comets.

  16. The Stratospheric Observatory for Infrared Astronomy (SOFIA) - Current Status, Recent Results, Future Plans, and Synergies with the AKARI Archive

    Science.gov (United States)

    Roellig, Thomas L.

    2017-01-01

    The Stratospheric Observatory for Infrared Astronomy comprises a 2.7m diameter telescope mounted in a heavily modified B747SP aircraft. The SOFIA program is a joint US NASA and German DLR program, with the development and operations costs split roughly 80%:20%, respectively. Although the observatory is funded by these two nations, its observing time is open to proposals from astronomers of any nationality. The observatory has been flying and taking scientific data since 2010 and currently observes astronomical targets from the stratosphere for approximately 800 research flight hours per year. Seven science instruments (with an eighth coming online in 2020) cover the visible to sub-millimeter wavelengths with a variety of spectral resolutions ranging up to 1e8. The AKARI Archive with its 1.7 to 180 micron wavelength coverage is a natural complementary source for follow-up observations with SOFIA. This presentation will cover the current SOFIA technical capabilities and will present a few recent science highlights that demonstrate the SOFIA/AKARI complementarity. The presentation will also cover the SOFIA proposal process and will summarize other partnership opportunities for additional observing time on SOFIA.

  17. AKARI/IRC NEAR-INFRARED SPECTRAL ATLAS OF GALACTIC PLANETARY NEBULAE

    Energy Technology Data Exchange (ETDEWEB)

    Ohsawa, Ryou [Institute of Astronomy, Graduate School of Science, The University of Tokyo, 2-21-1 Osawa, Mitaka, Tokyo 181-0015 (Japan); Onaka, Takashi; Sakon, Itsuki [Department of Astronomy, Graduate School of Science, The University of Tokyo, 7-3-1 Hongo, Bunkyo-ku, Tokyo 113-0033 (Japan); Matsuura, Mikako [School of Physics and Astronomy, Cardiff University, Queen’s Buildings, 5 The Parade, Roath, Cardiff CF24 3AA (United Kingdom); Kaneda, Hidehiro, E-mail: ohsawa@ioa.s.u-tokyo.ac.jp [Division of Particle and Astrophysical Science, Graduate School of Science, Nagoya University, Furo-cho, Chikusa-ku, Nagoya, Aichi 464-8602 (Japan)

    2016-04-15

    Near-infrared (2.5–5.0 μm) low-resolution (λ/Δλ ∼ 100) spectra of 72 Galactic planetary nebulae (PNe) were obtained with the Infrared Camera (IRC) in the post-helium phase. The IRC, equipped with a 1′ × 1′ window for spectroscopy of a point source, was capable of obtaining near-infrared spectra in a slit-less mode without any flux loss due to a slit. The spectra show emission features including hydrogen recombination lines and the 3.3–3.5 μm hydrocarbon features. The intensity and equivalent width of the emission features were measured by spectral fitting. We made a catalog providing unique information on the investigation of the near-infrared emission of PNe. In this paper, details of the observations and characteristics of the catalog are described.

  18. Young Stars in the Camelopardalis Dust and Molecular Clouds. VI. YSOs Verified by Spitzer and Akari Infrared Photometry

    Directory of Open Access Journals (Sweden)

    Straižys V.

    2010-06-01

    Full Text Available Using photometric data of infrared surveys, young stellar object (YSO status is verified for 141 objects selected in our previous papers in the Cassiopeia and Camelopardalis segment of the Milky Way bounded by Galactic coordinates (l, b = (132-158°, ±12°. The area includes the known star- forming regions in the emission nebulae W3, W4 and W5 and the massive YSO AFGL490. Spectral energy distribution (SED curves between 700 nm and 160 μm, constructed from the GSC 2, 2MASS, IRAS, MSX, Spitzer and AKARI data, are used to estimate the evolutionary stages of these stars. We confirm the YSO status for most of the objects. If all of the investigated objects were YSOs, 45% of them should belong to Class I, 41% to class II and 14% to Class III. However, SEDs of some of these objects can be affected by nearby extended infrared sources, like compact H II regions, infrared clusters or dusty galaxies.

  19. ALBEDO PROPERTIES OF MAIN BELT ASTEROIDS BASED ON THE ALL-SKY SURVEY OF THE INFRARED ASTRONOMICAL SATELLITE AKARI

    Energy Technology Data Exchange (ETDEWEB)

    Usui, Fumihiko; Hasegawa, Sunao; Matsuhara, Hideo [Institute of Space and Astronautical Science, Japan Aerospace Exploration Agency, 3-1-1 Yoshinodai, Chuo-ku, Sagamihara 252-5210 (Japan); Kasuga, Toshihiro [Public Relations Center, National Astronomical Observatory of Japan, 2-21-1 Osawa, Mitaka, Tokyo 181-8588 (Japan); Ishiguro, Masateru [Department of Physics and Astronomy, Seoul National University, San 56-1, Shillim-dong Gwanak-gu, Seoul 151-742 (Korea, Republic of); Kuroda, Daisuke [Okayama Astrophysical Observatory, National Astronomical Observatory, 3037-5 Honjo, Kamogata-cho, Asakuchi, Okayama 719-0232 (Japan); Mueller, Thomas G. [Max-Planck-Institut fuer Extraterrestrische Physik, Giessenbachstrasse, D-85748 Garching (Germany); Ootsubo, Takafumi, E-mail: usui@ir.isas.jaxa.jp [Astronomical Institute, Tohoku University, 6-3 Aoba, Aramaki, Aoba-ku, Sendai 980-8578 (Japan)

    2013-01-01

    We present an analysis of the albedo properties of main belt asteroids (MBAs) detected by the All-Sky Survey of the infrared astronomical satellite AKARI. The characteristics of 5120 asteroids detected by the survey, including their sizes and albedos, were cataloged in the Asteroid Catalog Using AKARI (AcuA). Size and albedo measurements were based on the standard thermal model, using inputs of infrared fluxes and absolute magnitudes measured at optical wavelengths. MBAs, which account for 4722 of the 5120 AcuA asteroids, have semimajor axes of 2.06-3.27 AU, except for the near-Earth asteroids. AcuA provides a complete data set of all MBAs brighter than the absolute magnitude of H < 10.3, which corresponds to the diameter of d > 20 km. We confirmed that the albedo distribution of the MBAs is strongly bimodal as was already known from the past observations, and that the bimodal distribution occurs not only in the total population, but also within inner, middle, and outer regions of the main belt. The bimodal distribution in each group consists of low-albedo components in C-type asteroids and high-albedo components in S-type asteroids. We found that the small asteroids have much more variety in albedo than the large asteroids. In spite of the albedo transition process like space weathering, the heliocentric distribution of the mean albedo of asteroids in each taxonomic type is nearly flat. The mean albedo of the total, on the other hand, gradually decreases with an increase in semimajor axis. This can be explained by the compositional ratio of taxonomic types; that is, the proportion of dark asteroids such as C- and D-types increases, while that of bright asteroids such as S-type decreases, with increasing heliocentric distance. The heliocentric distributions of X-subclasses: E-, M-, and P-types, which can be divided based on albedo values, are also examined. P-types, which are the major component in X-types, are distributed throughout the main belt regions, and the

  20. Infrared and Hard X-Ray Diagnostics of Active Galactic Nucleus Identification from the Swift/BAT and AKARI All-sky Surveys

    Science.gov (United States)

    Matsuta, K.; Gandhi, P.; Dotani, T.; Nakagawa, T.; Isobe, N.; Ueda, Y.; Ichikawa, K.; Terashima, Y.; Oyabu, S.; Yamamura, I.; Stawarz, Ł.

    2012-07-01

    We combine data from two all-sky surveys in order to study the connection between the infrared and hard X-ray (>10 keV) properties for local active galactic nuclei (AGNs). The Swift Burst Alert Telescope all-sky survey provides an unbiased, flux-limited selection of hard X-ray-detected AGNs. Cross-correlating the 22 month hard X-ray survey with the AKARI all-sky survey, we studied 158 AGNs detected by the AKARI instruments. We find a strong correlation for most AGNs between the infrared (9, 18, and 90 μm) and hard X-ray (14-195 keV) luminosities, and quantify the correlation for various subsamples of AGNs. Partial correlation analysis confirms the intrinsic correlation after removing the redshift contribution. The correlation for radio galaxies has a slope and normalization identical to that for Seyfert 1 galaxies, implying similar hard X-ray/infrared emission processes in both. In contrast, Compton-thick (CT) sources show a large deficit in the hard X-ray band, because high gas column densities diminish even their hard X-ray luminosities. We propose two photometric diagnostics for source classification: one is an X-ray luminosity versus infrared color diagram, in which type 1 radio-loud AGNs are well isolated from the others in the sample. The other uses the X-ray versus infrared color as a useful redshift-independent indicator for identifying CT AGNs. Importantly, CT AGNs and starburst galaxies in composite systems can also be differentiated in this plane based upon their hard X-ray fluxes and dust temperatures. This diagram may be useful as a new indicator to classify objects in new and upcoming surveys such as WISE and NuSTAR.

  1. Infrared spectroscopy in astronomy

    Science.gov (United States)

    Houck, J. R.

    1981-01-01

    The use of infrared spectroscopy in astronomy has increased dramatically in the past ten years. The broad design considerations are discussed in terms of wavelength coverage and resolution. Three rough resolution ranges, lambda/Delta lambda of approximately 100, 1000 and 10,000, are identified in which various types of astronomical problems can be studied. Numerous existing systems are briefly discussed and references are given to more complete descriptions.

  2. An extinction-free AGN selection by 18-band SED fitting in mid-infrared in the AKARI NEP deep field

    Science.gov (United States)

    Huang, Ting-Chi; Goto, Tomotsugu; Hashimoto, Tetsuya; Oi, Nagisa; Matsuhara, Hideo

    2017-11-01

    We have developed an efficient active galactic nucleus (AGN) selection method using 18-band spectral energy distribution (SED) fitting in mid-infrared (mid-IR). AGNs are often obscured by gas and dust, and those obscured AGNs tend to be missed in optical, UV and soft X-ray observations. Mid-IR light can help us to recover them in an obscuration-free way using their thermal emission. On the other hand, star-forming galaxies (SFGs) also have strong polycyclic aromatic hydrocarbon emission features in mid-IR. Hence, establishing an accurate method to separate populations of AGNs and SFGs is important. However, in previous mid-IR surveys, only three or four filters were available, and thus the selection was limited. We combined AKARI's continuous nine mid-IR bands with Wide field Infrared Survey Explorer (WISE) and Spitzer data to create 18 mid-IR bands for AGN selection. Among 4682 galaxies in the AKARI north ecliptic pole deep field, 1388 are selected to be AGN hosts, which implies an AGN fraction of 29.6 ± 0.8 per cent (among them 47 per cent are Seyfert 1.8 and 2). Comparing the result from SED fitting into WISE and Spitzer colour-colour diagram reveals that Seyferts are often missed by previous studies. Our result has been tested by stacking median magnitude for each sample. Using X-ray data from Chandra, we compared the result of our SED fitting with WISE's colour box selection. We recovered more X-ray detected AGNs than previous methods by 20 per cent.

  3. Mid-infrared upconversion spectroscopy

    DEFF Research Database (Denmark)

    Tidemand-Lichtenberg, Peter; Dam, Jeppe Seidelin; Andersen, H. V.

    2016-01-01

    Mid-infrared (MIR) spectroscopy is emerging as an attractive alternative to near-infrared or visible spectroscopy. MIR spectroscopy offers a unique possibility to probe the fundamental absorption bands of a large number of gases as well as the vibrational spectra of complex molecules. In this paper...

  4. The First release of the AKARI-FIS Bright Source Catalogue

    NARCIS (Netherlands)

    Yamamura, I.; Makiuti, S.; Ikeda, N.; Fukuda, Y.; Yamauchi, C.; Hasegawa, S.; Nakagawa, T.; Narumi, H.; Baba, H.; Takagi, T.; Jeong, W.-S.; Oh, S. H.; Lee, H. M.; Savage, R.; Rahman, N.; Thomson, M.; Oliver, S.; Figueredo, E.; Serjeant, S.; White, G. J.; Pearson, C. P.; Wang, L.; Rowan-Robinson, M.; Kester, Dominicus; van der Wolk, G.; Barthel, P.; Salama, A.; Alfageme, C.; García-Lario, P.; Stephenson, C.; Cohen, M.; Mueller, T. G.

    2009-01-01

    The infrared astronomy satellite AKARI has made all-sky surveys at six wavelength bands (9, 18 μm with the Infrared Camera (IRC), 65, 90, 140, and 160 μm with the Far-Infrared Surveyor (FIS)). The first version of the FIS Bright Source Catalogue (β-1) has been provided to the AKARI science team for

  5. Near-infrared spectroscopy

    Directory of Open Access Journals (Sweden)

    Virendra Jain

    2015-01-01

    Full Text Available Tissue ischaemia can be a significant contributor to increased morbidity and mortality. Conventional oxygenation monitoring modalities measure systemic oxygenation, but regional tissue oxygenation is not monitored. Near-infrared spectroscopy (NIRS is a non-invasive monitor for measuring regional oxygen saturation which provides real-time information. There has been increased interest in the clinical application of NIRS following numerous studies that show improved outcome in various clinical situations especially cardiac surgery. Its use has shown improved neurological outcome and decreased postoperative stay in cardiac surgery. Its usefulness has been investigated in various high risk surgeries such as carotid endarterectomy, thoracic surgeries, paediatric population and has shown promising results. There is however, limited data supporting its role in neurosurgical population. We strongly feel, it might play a key role in future. It has significant advantages over other neuromonitoring modalities, but more technological advances are needed before it can be used more widely into clinical practice.

  6. A selection of AKARI FIS BSC extragalactic objects

    Science.gov (United States)

    Marton, G.; Tóth, L. V.; Balázs, L. G.; Zahorecz, S.; Bagoly, Z.; Horváth, I.; Rácz, I. I.; Nagy, A.

    The point sources in the Bright Source Catalogue (BSC) of the AKARI Far-Infrared Surveyor (FIS) were classified based on their far-IR and mid-IR fluxes and colours using Quadratic Discriminant Analysis method (QDA) and Support Vector Machines (SVM). The reliability of our results show that we can successfully separate galactic and extragalactic AKARI point sources in the multidimensional space of fluxes and colours. However, differentiating among the extragalactic sub-types needs further information.

  7. Semiconductor optoelectronic infrared spectroscopy

    International Nuclear Information System (INIS)

    Hollingworth, A.R.

    2001-08-01

    We use spectroscopy to study infrared optoelectronic inter and intraband semiconductor carrier dynamics. The overall aim of this thesis was to study both III-V and Pb chalcogenide material systems in order to show their future potential use in infrared emitters. The effects of bandstructure engineering have been studied in the output characteristics of mid-IR III-V laser diodes to show which processes (defects, radiative, Auger and phonon) dominate and whether non-radiative processes can be suppressed. A new three-beam pump probe experiment was used to investigate interband recombination directly in passive materials. Experiments on PbSe and theory for non-parabolic near-mirror bands and non-degenerate statistics were in good agreement. Comparisons with HgCdTe showed a reduction in the Auger coefficient of 1-2 orders of magnitude in the PbSe. Using Landau confinement to model spatial confinement in quantum dots (QDs) 'phonon bottlenecking' was studied. The results obtained from pump probe and cyclotron resonance saturation measurements showed a clear suppression in the cooling of carriers when Landau level separation was not resonant with LO phonon energy. When a bulk laser diode was placed in a magnetic field to produce a quasi quantum wire device the resulting enhanced differential gain and reduced Auger recombination lowered I th by 30%. This result showed many peaks in the light output which occurred when the LO phonon energy was a multiple of the Landau level separation. This showed for the first time evidence of the phonon bottleneck in a working laser device. A new technique called time resolved optically detected cyclotron resonance, was used as a precursor to finding the carrier dynamics within a spatially confined quantum dot. By moving to the case of a spatial QD using an optically detected intraband resonance it was possible to measure the energy separation interband levels and conduction and valence sublevels within the dot simultaneously. Furthermore

  8. Laboratory infrared spectroscopy of PAHs

    NARCIS (Netherlands)

    Oomens, J.; Joblin, C.; Tielens, A.G.G.M.

    2011-01-01

    The hypothesis that polyaromatic molecules are the carriers of the infrared interstellar emission bands has spurred the laboratory spectroscopy of this class of molecules. Here we will give an overview of the infrared spectroscopic methods that have been applied over the past two decades to

  9. Infrared diode laser spectroscopy

    Czech Academy of Sciences Publication Activity Database

    Civiš, Svatopluk; Cihelka, Jaroslav; Matulková, Irena

    2010-01-01

    Roč. 18, č. 4 (2010), s. 408-420 ISSN 1230-3402 R&D Projects: GA AV ČR IAA400400705 Institutional research plan: CEZ:AV0Z40400503 Keywords : FTIR spectroscopy * absorption spectroscopy * laser diodes Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 1.027, year: 2010

  10. Infrared spectroscopy of stars

    Science.gov (United States)

    Merrill, K. M.; Ridgway, S. T.

    1979-01-01

    This paper reviews applications of IR techniques in stellar classification, studies of stellar photospheres, elemental and isotopic abundances, and the nature of remnant and ejected matter in near-circumstellar regions. Qualitative IR spectral classification of cool and hot stars is discussed, along with IR spectra of peculiar composite star systems and of obscured stars, and IR characteristics of stellar populations. The use of IR spectroscopy in theoretical modeling of stellar atmospheres is examined, IR indicators of stellar atmospheric composition are described, and contributions of IR spectroscopy to the study of stellar recycling of interstellar matter are summarized. The future of IR astronomy is also considered.

  11. A catalogue of AKARI FIS BSC extragalactic objects

    Science.gov (United States)

    Marton, Gabor; Toth, L. Viktor; Gyorgy Balazs, Lajos

    2015-08-01

    We combined photometric data of about 70 thousand point sources from the AKARI Far-Infrared Surveyor Bright Source Catalogue with AllWISE catalogue data to identify galaxies. We used Quadratic Discriminant Analysis (QDA) to classify our sources. The classification was based on a 6D parameter space that contained AKARI [F65/F90], [F90/F140], [F140/F160] and WISE W1-W2 colours along with WISE W1 magnitudes and AKARI [F140] flux values. Sources were classified into 3 main objects types: YSO candidates, evolved stars and galaxies. The training samples were SIMBAD entries of the input point sources wherever an associated SIMBAD object was found within a 30 arcsecond search radius. The QDA resulted more than 5000 AKARI galaxy candidate sources. The selection was tested cross-correlating our AKARI extragalactic catalogue with the Revised IRAS-FSC Redshift Catalogue (RIFSCz). A very good match was found. A further classification attempt was also made to differentiate between extragalactic subtypes using Support Vector Machines (SVMs). The results of the various methods showed that we can confidently separate cirrus dominated objects (type 1 of RIFSCz). Some of our “galaxy candidate” sources are associated with 2MASS extended objects, and listed in the NASA Extragalactic Database so far without clear proofs of their extragalactic nature. Examples will be presented in our poster. Finally other AKARI extragalactic catalogues will be also compared to our statistical selection.

  12. AKARI/IRC source catalogues and source counts for the IRAC Dark Field, ELAIS North and the AKARI Deep Field South

    Science.gov (United States)

    Davidge, H.; Serjeant, S.; Pearson, C.; Matsuhara, H.; Wada, T.; Dryer, B.; Barrufet, L.

    2017-12-01

    We present the first detailed analysis of three extragalactic fields (IRAC Dark Field, ELAIS-N1, ADF-S) observed by the infrared satellite, AKARI, using an optimized data analysis toolkit specifically for the processing of extragalactic point sources. The InfaRed Camera (IRC) on AKARI complements the Spitzer Space Telescope via its comprehensive coverage between 8-24 μm filling the gap between the Spitzer/IRAC and MIPS instruments. Source counts in the AKARI bands at 3.2, 4.1, 7, 11, 15 and 18 μm are presented. At near-infrared wavelengths, our source counts are consistent with counts made in other AKARI fields and in general with Spitzer/IRAC (except at 3.2 μm where our counts lie above). In the mid-infrared (11 - 18 μm), we find our counts are consistent with both previous surveys by AKARI and the Spitzer peak-up imaging survey with the InfraRed Spectrograph (IRS). Using our counts to constrain contemporary evolutionary models, we find that although the models and counts are in agreement at mid-infrared wavelengths there are inconsistencies at wavelengths shortward of 7 μm, suggesting either a problem with stellar subtraction or indicating the need for refinement of the stellar population models. We have also investigated the AKARI/IRC filters, and find an active galactic nucleus selection criteria out to z < 2 on the basis of AKARI 4.1, 11, 15 and 18 μm colours.

  13. Infrared and Raman spectroscopy: principles and spectral interpretation

    National Research Council Canada - National Science Library

    Larkin, Peter

    2011-01-01

    "Infrared and Raman Spectroscopy: Principles and Spectral Interpretation explains the background, core principles and tests the readers understanding of the important techniques of Infrared and Raman Spectroscopy...

  14. 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)

  15. Near infrared spectroscopy and exercise

    Energy Technology Data Exchange (ETDEWEB)

    Angus, Caroline

    2002-07-01

    Near infrared spectroscopy (NIRS) provides a non-invasive method for the continuous monitoring of changes in tissue oxygenation and blood volume during aerobic exercise. During incremental exercise in adult subjects there was a positive correlation between lactate threshold (measured by blood sampling) and changes in the rate of muscle deoxygenation (measured by NIRS). However, the 7% failure rate for the NIRS test mitigated against the general use of this method. NIRS did not provide a valid method for LT determination in an adolescent population. NIRS was then used to examine whether haemodynamic changes could be a contributing factor to the mechanism underlying the cross-transfer effect. During a one-legged incremental aerobic exercise test the muscle was more deoxygenated in the exercising leg than in the non-exercising leg, consistent with oxygen consumption outstripping blood flow to the exercising limb. However, muscle blood volume increased equally in both legs. This suggests that blood flow may be raised to similar levels in both the legs; although local factors may signal an increase in blood volume, this effect is expressed in both legs. Muscle blood flow and changes in muscle blood volume were then measured directly by NIRS during an incremental one-arm aerobic exercise test. There was no significant difference in either blood volume or blood flow in the two arms at the end of the test. In the non-exercising arm changes in blood flow and blood volume were measured throughout the protocol. At higher exercise intensities, blood volume continued to rise as muscle blood flow plateaued, indicating that blood volume changes become independent of changes in blood flow. Finally, the effect of different training regimes on changes in muscle blood volume was examined. Subjects were assigned to a training group; two-arm training, one-arm training or a control group. Training did not affect blood volume changes during two-arm exercise. However, during one

  16. Near infrared spectroscopy and exercise

    International Nuclear Information System (INIS)

    Angus, Caroline

    2002-01-01

    Near infrared spectroscopy (NIRS) provides a non-invasive method for the continuous monitoring of changes in tissue oxygenation and blood volume during aerobic exercise. During incremental exercise in adult subjects there was a positive correlation between lactate threshold (measured by blood sampling) and changes in the rate of muscle deoxygenation (measured by NIRS). However, the 7% failure rate for the NIRS test mitigated against the general use of this method. NIRS did not provide a valid method for LT determination in an adolescent population. NIRS was then used to examine whether haemodynamic changes could be a contributing factor to the mechanism underlying the cross-transfer effect. During a one-legged incremental aerobic exercise test the muscle was more deoxygenated in the exercising leg than in the non-exercising leg, consistent with oxygen consumption outstripping blood flow to the exercising limb. However, muscle blood volume increased equally in both legs. This suggests that blood flow may be raised to similar levels in both the legs; although local factors may signal an increase in blood volume, this effect is expressed in both legs. Muscle blood flow and changes in muscle blood volume were then measured directly by NIRS during an incremental one-arm aerobic exercise test. There was no significant difference in either blood volume or blood flow in the two arms at the end of the test. In the non-exercising arm changes in blood flow and blood volume were measured throughout the protocol. At higher exercise intensities, blood volume continued to rise as muscle blood flow plateaued, indicating that blood volume changes become independent of changes in blood flow. Finally, the effect of different training regimes on changes in muscle blood volume was examined. Subjects were assigned to a training group; two-arm training, one-arm training or a control group. Training did not affect blood volume changes during two-arm exercise. However, during one

  17. Nanoscale Infrared Spectroscopy of Biopolymeric Materials

    Science.gov (United States)

    Curtis Marcott; Michael Lo; Kevin Kjoller; Craig Prater; Roshan Shetty; Joseph Jakes; Isao Noda

    2012-01-01

    Atomic Force Microscopy (AFM) and infrared (IR) spectroscopy have been combined in a single instrument capable of producing 100 nm spatial resolution IR spectra and images. This new capability enables the spectroscopic characterization of biomaterial domains at levels not previously possible. A tunable IR laser source generating pulses on the order of 10 ns was used...

  18. Infrared spectroscopy of ionic clusters

    International Nuclear Information System (INIS)

    Price, J.M.

    1990-11-01

    This thesis describes new experiments wherein the infrared vibrational predissociation spectra of a number of mass-selected ionic cluster systems have been obtained and analyzed in the 2600 to 4000 cm -1 region. The species studied include: the hydrated hydronium ions, H 3 O + (H 2 O) 3 -10 , ammoniated ammonium ions, NH 4 + (NH 3 ) 1 -10 and cluster ions involving both water and ammonia around an ammonium ion core, (mixed clusters) NH 4 + (NH 3 ) n (H 2 O) m (n+m=4). In each case, the spectra reveal well resolved structures that can be assigned to transitions arising from the vibrational motions of both the ion core of the clusters and the surrounding neutral solvent molecules. 154 refs., 19 figs., 8 tabs

  19. Infrared spectroscopy of ionic clusters

    Energy Technology Data Exchange (ETDEWEB)

    Price, J.M. (California Univ., Berkeley, CA (USA). Dept. of Chemistry Lawrence Berkeley Lab., CA (USA))

    1990-11-01

    This thesis describes new experiments wherein the infrared vibrational predissociation spectra of a number of mass-selected ionic cluster systems have been obtained and analyzed in the 2600 to 4000 cm{sup {minus}1} region. The species studied include: the hydrated hydronium ions, H{sub 3}O{sup +} (H{sub 2}O){sub 3 {minus}10}, ammoniated ammonium ions, NH{sub 4}{sup +}(NH{sub 3}){sub 1 {minus}10} and cluster ions involving both water and ammonia around an ammonium ion core, (mixed clusters) NH{sub 4}{sup +}(NH{sub 3}){sub n}(H{sub 2}O){sub m} (n+m=4). In each case, the spectra reveal well resolved structures that can be assigned to transitions arising from the vibrational motions of both the ion core of the clusters and the surrounding neutral solvent molecules. 154 refs., 19 figs., 8 tabs.

  20. Near-infrared spectroscopy for cocrystal screening

    DEFF Research Database (Denmark)

    Allesø, Morten; Velaga, Sitaram; Alhalaweh, Amjad

    2008-01-01

    Near-infrared (NIR) spectroscopy is a well-established technique for solid-state analysis, providing fast, noninvasive measurements. The use of NIR spectroscopy for polymorph screening and the associated advantages have recently been demonstrated. The objective of this work was to evaluate...... retained in a physical mixture with the guest molecule, while liquid-assisted cogrinding did not induce any changes in the crystal lattice. The good chemical peak selectivity of Raman spectroscopy allowed a straightforward interpretation of sample data by analyzing peak positions and comparing to those...... of pure references. In addition, Raman spectroscopy provided additional information on the crystal structure of the IND-SAC cocrystal. The broad spectral line shapes of NIR spectra make visual interpretation of the spectra difficult, and consequently, multivariate modeling by principal component analysis...

  1. Explosive detection using infrared laser spectroscopy

    Science.gov (United States)

    Hildenbrand, J.; Herbst, J.; Wöllenstein, J.; Lambrecht, A.

    2009-01-01

    Stand-off and extractive explosive detection methods for short distances are investigated using mid-infrared laser spectroscopy. A quantum cascade laser (QCL) system for TATP-detection by open path absorption spectroscopy in the gas phase was developed. In laboratory measurements a detection limit of 5 ppm*m was achieved. For explosives with lower vapor pressure an extractive hollow fiber based measurement system was investigated. By thermal desorption gaseous TATP or TNT is introduced into a heated fiber. The small sample volume and a fast gas exchange rate enable fast detection. TNT and TATP detection levels below 100 ng are feasible even in samples with a realistic contaminant background.

  2. Near Infrared Spectroscopy Systems for Tissue Oximetry

    DEFF Research Database (Denmark)

    Petersen, Søren Dahl

    We present exible silicon device platforms, which combine polyimide with polydimethylsiloxane in order to add flexibility and biocompatibility to the silicon devices. The device platforms are intended as tissue oximeters, using near infrared spectroscopy, but could potentially also be used...... for other medical applications. The tissue oximeters are realised by incorporation of pn-diodes into the silicon in order to form arrays of infrared detectors. These arrays can then be used for spatially resolved spectroscopy measurements, with the targeted end user being prematurely born infant children....... Monte Carlo simulations have been performed on a model of a neonatal head and they show only weak changing signals as function of changes in cerebral oxygenation. A mechanical and electrical analysis of the device platforms, both by analytical expressions and numerical simulation, indicated...

  3. Infrared Spectroscopy And The Art Of Restoration

    Science.gov (United States)

    Firth, Stephen

    1989-12-01

    There are many museums and art galleries in the world devoted to the preservation of paintings, sculptures and articles of cultural importance. In some cases the preservation of the museum itself as an architectural inheritance is equally important. Infrared Spectrometry is a powerful tool in the fight to prevent the decay of many works of art. Infrared Spectroscopy can be used to identify many important constituents of the original paints and then used to test the new products used for restoration. Another example is measuring the depth of penetration of preservatives in various materials. For example, building materials can be sectioned to give 30 micron slices that can be subsequently examined by transmission infrared microscopy. This yields information on the types of material present but also on the penetration depth of various preservatives.

  4. Infrared spectroscopy of fluid lipid bilayers.

    Science.gov (United States)

    Hull, Marshall C; Cambrea, Lee R; Hovis, Jennifer S

    2005-09-15

    Infrared spectroscopy is a powerful technique for examining lipid bilayers; however, it says little about the fluidity of the bilayer-a key physical aspect. It is shown here that it is possible to both acquire spectroscopic data of supported lipid bilayer samples and make measurements of the membrane fluidity. Attenuated total reflection-Fourier transform infrared spectroscopy (ATR-FT-IR) is used to obtain the spectroscopic information and fluorescence recovery after photobleaching (FRAP) is used to determine the fluidity of the samples. In the infrared spectra of lipid bilayers composed of 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine, the following major peaks were observed; nu(as)(CH3) 2954 cm(-1), nu(s)(CH3) 2870 cm(-1), nu(as)(CH2) 2924 cm(-1), nu(s)(CH2) 2852 cm(-1), nu(C=O) 1734 cm(-1), delta(CH2) 1463-1473 cm(-1), nu(as)(PO2-) 1226 cm(-1), nu(s)(PO2-) 1084 cm(-1), and nu(as)(N+(CH3)3) 973 cm(-1). The diffusion coefficient of the same lipid bilayer was measured to be 3.5 +/- 0.5 micom(2)/s with visual recovery also noted through use of epifluorescence microscopy. FRAP and visual data confirm the formation of a uniform, mobile supported lipid bilayer. The combination of ATR-FT-IR and FRAP provides complementary data giving a more complete picture of fully hydrated model membrane systems.

  5. Chemistry and infrared spectroscopy of interstellar grains

    International Nuclear Information System (INIS)

    Hagen, W.

    1982-01-01

    This thesis focuses on three aspects of interstellar grains: the photochemistry of the grain mantles, their infrared spectroscopy and the surface chemistry that takes place during mantle accretion. It provides a combination of pure and applied chemistry and spectroscopy. The experiments described in this thesis have been carried out with low temperature (10 K) solid molecular mixtures representing the mantles of interstellar grains. The samples have been prepared by slowly condensing gaseous mixtures of simple molecules (e.g. CO, H 2 O, NH 3 , CH 4 ) on a cold substrate (mirror or window) cooled by a cryogenic refrigerator mounted in a high vacuum chamber. Fourier transform infrared spectroscopy has been used to study the sample. A laboratory study of the photochemistry in interstellar grain mantles is described. It shows that irradiation of solid binary mixtures of CO with H 2 O, NH 3 or CH 4 with 1600 A vacuum ultraviolet light, which is representative of the interstellar ultraviolet field, gives rise to the formation of a number of large molecules as well as radicals. Moreover, a theoretical study is given of the chemical composition of grain mantles accreted in dense clouds. (Auth.)

  6. Near-infrared spectroscopy during peripheral vascular surgery

    DEFF Research Database (Denmark)

    Eiberg, J P; Schroeder, T V; Vogt, K C

    1997-01-01

    Near-infrared spectroscopy was performed perioperatively on the dorsum of the foot in 14 patients who underwent infrainguinal bypass surgery using a prosthesis or the greater saphenous vein. Dual-wavelength continuous light spectroscopy was used to assess changes in tissue saturation before, during...... that near-infrared spectroscopy is appropriate for perioperative monitoring during vascular grafting....

  7. 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.

  8. Disease recognition by infrared and Raman spectroscopy.

    Science.gov (United States)

    Krafft, Christoph; Steiner, Gerald; Beleites, Claudia; Salzer, Reiner

    2009-02-01

    Infrared (IR) and Raman spectroscopy are emerging biophotonic tools to recognize various diseases. The current review gives an overview of the experimental techniques, data-classification algorithms and applications to assess soft tissues, hard tissues and body fluids. The methodology section presents the principles to combine vibrational spectroscopy with microscopy, lateral information and fiber-optic probes. A crucial step is the classification of spectral data by a variety of algorithms. We discuss unsupervised algorithms such as cluster analysis or principal component analysis and supervised algorithms such as linear discriminant analysis, soft independent modeling of class analogies, artificial neural networks support vector machines, Bayesian classification, partial least-squares regression and ensemble methods. The selected topics include tumors of epithelial tissue, brain tumors, prion diseases, bone diseases, atherosclerosis, kidney stones and gallstones, skin tumors, diabetes and osteoarthritis. ((c) 2009 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim).

  9. VizieR Online Data Catalog: Star-galaxy separation in AKARI FIS All-Sky Survey (Pollo+, 2010)

    Science.gov (United States)

    Pollo, A.; Rybka, P.; Takeuchi, T. T.

    2010-04-01

    The catalog contains names, coordinates, counterparts and far-infrared fluxes of 5176 sources detected by the AKARI FIS All Sky Survey (Bright Source Catalogue, version beta-1, Cat. ) in the sky regions with COBE DIRBE 100um sky emission intensivity lower than 10MJy/sr, in all four FIS AKARI bands, i.e. with a complete far-infrared color information. Sources are associated with the known galactic and extragalactic objects from the databases: NED (NASA/IPAC Extragalactic Database) and SIMBAD. (1 data file).

  10. Infrared Spectroscopy as a Chemical Fingerprinting Tool

    Science.gov (United States)

    Huff, Timothy L.

    2003-01-01

    Infrared (IR) spectroscopy is a powerful analytical tool in the chemical fingerprinting of materials. Any sample material that will interact with infrared light produces a spectrum and, although normally associated with organic materials, inorganic compounds may also be infrared active. The technique is rapid, reproducible and usually non-invasive to the sample. That it is non-invasive allows for additional characterization of the original material using other analytical techniques including thermal analysis and RAMAN spectroscopic techniques. With the appropriate accessories, the technique can be used to examine samples in liquid, solid or gas phase. Both aqueous and non-aqueous free-flowing solutions can be analyzed, as can viscous liquids such as heavy oils and greases. Solid samples of varying sizes and shapes may also be examined and with the addition of microscopic IR (microspectroscopy) capabilities, minute materials such as single fibers and threads may be analyzed. With the addition of appropriate software, microspectroscopy can be used for automated discrete point or compositional surface area mapping, with the latter providing a means to record changes in the chemical composition of a material surface over a defined area. Due to the ability to characterize gaseous samples, IR spectroscopy can also be coupled with thermal processes such as thermogravimetric (TG) analyses to provide both thermal and chemical data in a single run. In this configuration, solids (or liquids) heated in a TG analyzer undergo decomposition, with the evolving gases directed into the IR spectrometer. Thus, information is provided on the thermal properties of a material and the order in which its chemical constituents are broken down during incremental heating. Specific examples of these varied applications will be cited, with data interpretation and method limitations further discussed.

  11. Introduction to experimental infrared spectroscopy fundamentals and practical methods

    CERN Document Server

    Tasumi, Mitsuo; Ochiai, Shukichi

    2014-01-01

    Infrared spectroscopy is generally understood to mean the science of spectra relating to infrared radiation, namely electromagnetic waves, in the wavelength region occurring intermediately between visible light and microwaves. Measurements of infrared spectra have been providing useful information, for a variety of scientific research and industrial studies, for over half a century; this is set to continue in the foreseeable future. Introduction to Experimental Infrared Spectroscopy is intended to be a handy guide for those who have no, or limited, experience in infrared spectroscopi

  12. Near Infrared Spectroscopy as a Hemodynamic Monitor in Critical Illness.

    Science.gov (United States)

    Ghanayem, Nancy S; Hoffman, George M

    2016-08-01

    The objectives of this review are to discuss the technology and clinical interpretation of near infrared spectroscopy oximetry and its clinical application in patients with congenital heart disease. MEDLINE and PubMed. Near infrared spectroscopy provides a continuous noninvasive assessment of tissue oxygenation. Over 20 years ago, near infrared spectroscopy was introduced into clinical practice for monitoring cerebral oxygenation during cardiopulmonary bypass in adults. Since that time, the utilization of near infrared spectroscopy has extended into the realm of pediatric cardiac surgery and is increasingly being used in the cardiac ICU to monitor tissue oxygenation perioperatively.

  13. [Application of infrared spectroscopy technique to discrimination of alcoholic beverages].

    Science.gov (United States)

    Niu, Xiao-Ying; Ying, Yi-Bin; Yu, Hai-Yan; Xie, Li-Juan; Fu, Xia-Ping

    2008-04-01

    Infrared spectroscopy technique is a rapid for the discrimination of food samples, and is widely used to detect and discriminate various beverages. This paper presents the advantages and disadvantages of techniques that have been used to discriminate alcoholic beverages, and the discriminating procedure with infrared spectroscopy technique. Applications of infrared spectroscopy technique to wine, whiskey, Japanese sake and Chinese rice wine etc. is presented too. Finally, problems in applications are analyzed, and the application of infrared spectroscopy technique to the discrimination of our traditional alcoholic beverages is prospected.

  14. Visualizing Infrared (IR) Spectroscopy with Computer Animation

    Science.gov (United States)

    Abrams, Charles B.; Fine, Leonard W.

    1996-01-01

    IR Tutor, an interactive, animated infrared (IR) spectroscopy tutorial has been developed for Macintosh and IBM-compatible computers. Using unique color animation, complicated vibrational modes can be introduced to beginning students. Rules governing the appearance of IR absorption bands become obvious because the vibrational modes can be visualized. Each peak in the IR spectrum is highlighted, and the animation of the corresponding normal mode can be shown. Students can study each spectrum stepwise, or click on any individual peak to see its assignment. Important regions of each spectrum can be expanded and spectra can be overlaid for comparison. An introduction to the theory of IR spectroscopy is included, making the program a complete instructional package. Our own success in using this software for teaching and research in both academic and industrial environments will be described. IR Tutor consists of three sections: (1) The 'Introduction' is a review of basic principles of spectroscopy. (2) 'Theory' begins with the classical model of a simple diatomic molecule and is expanded to include larger molecules by introducing normal modes and group frequencies. (3) 'Interpretation' is the heart of the tutorial. Thirteen IR spectra are analyzed in detail, covering the most important functional groups. This section features color animation of each normal mode, full interactivity, overlay of related spectra, and expansion of important regions. This section can also be used as a reference.

  15. Infrared spectroscopy of different phosphates structures.

    Science.gov (United States)

    Jastrzębski, W; Sitarz, M; Rokita, M; Bułat, K

    2011-08-15

    Infrared (IR) spectroscopic studies of mineral and synthetic phosphates have been presented. The interpretation of the spectra has been preceded by the isolated [PO(4)](3-) tetrahedron spectra analyse. The K(3)PO(4) saturated aqueous solution was measured in the special cell for liquids. The obtained IR results have been compared with the theoretical number of IR-active modes. The number and positions of the bands due to P-O vibrations have been established. The phase composition of the phosphates has been determined using XRD and IR spectroscopy methods. The influence of non-tetrahedral cations on the shape of the spectra and the positions of bands has been analysed and the crystalline field splitting effect has been discussed. Copyright © 2010 Elsevier B.V. All rights reserved.

  16. Characterization of UO2 by infrared spectroscopy

    International Nuclear Information System (INIS)

    Faeda, Kelly C.M.; Machado, Geraldo C.; Lameiras, Fernando S.

    2011-01-01

    The characterization of nuclear fuel is of great importance to minimize the effects related to burnup and temperature and to achieve stability during in-core operation. The understanding the U-O system and its thermodynamic properties has fundamental importance in nuclear industry. Many physical properties of UO 2±x depend on the ratio O / U, such as the electrical conductivity and thermal properties, as well as the diffusivities of its constituents and solutes. The U-O system presents various oxides such as UO 2±x , U 4 O 9 , U 3 O 8 , and UO 3 . The control of the O/U relation is critical to the manufacturing process of UO 2 . In this work, the infrared spectroscopy was used to identify the presence of phases in UO 2 powder samples that cannot be identified by thermogravimetry and X-ray diffraction. (author)

  17. Buccal microbiology analyzed by infrared spectroscopy

    Science.gov (United States)

    de Abreu, Geraldo Magno Alves; da Silva, Gislene Rodrigues; Khouri, Sônia; Favero, Priscila Pereira; Raniero, Leandro; Martin, Airton Abrahão

    2012-01-01

    Rapid microbiological identification and characterization are very important in dentistry and medicine. In addition to dental diseases, pathogens are directly linked to cases of endocarditis, premature delivery, low birth weight, and loss of organ transplants. Fourier Transform Infrared Spectroscopy (FTIR) was used to analyze oral pathogens Aggregatibacter actinomycetemcomitans ATCC 29523, Aggregatibacter actinomycetemcomitans-JP2, and Aggregatibacter actinomycetemcomitans which was clinically isolated from the human blood-CI. Significant spectra differences were found among each organism allowing the identification and characterization of each bacterial species. Vibrational modes in the regions of 3500-2800 cm-1, the 1484-1420 cm-1, and 1000-750 cm-1 were used in this differentiation. The identification and classification of each strain were performed by cluster analysis achieving 100% separation of strains. This study demonstrated that FTIR can be used to decrease the identification time, compared to the traditional methods, of fastidious buccal microorganisms associated with the etiology of the manifestation of periodontitis.

  18. Infrared and THz spectroscopy of nanostructured dielectrics

    Directory of Open Access Journals (Sweden)

    Jan Petzelt

    2009-09-01

    Full Text Available Results achieved using the infrared/THz spectroscopy of various inhomogeneous dielectrics in the Department of Dielectrics, Institute of Physics, Prague, during the last decade are briefly reviewed. The discussion concerns high-permittivity ceramics with inevitable low-permittivity dead layers along the grain boundaries, relaxor ferroelectrics with highly anisotropic polar nano-regions, classical matrix-type composites, core-shell composites, filled nanoporous glasses, polycrystalline and epitaxial thin films, heterostructures and superlattices on dielectric substrates. The analysis using models based on the effective medium approach is discussed. The importance of depolarizing field and of the percolation of components on the effective ac dielectric response and the excitations contributing to it are emphasized.

  19. Photothermoelastic contrast in nanoscale infrared spectroscopy

    Science.gov (United States)

    Morozovska, Anna N.; Eliseev, Eugene A.; Borodinov, Nikolay; Ovchinnikova, Olga S.; Morozovsky, Nicholas V.; Kalinin, Sergei V.

    2018-01-01

    The contrast formation mechanism in nanoscale Infrared (IR) Spectroscopy is analyzed. The temperature distribution and elastic displacement across the illuminated T-shape boundary between two materials with different IR-radiation absorption coefficients and thermo-physical and elastic properties located on a rigid substrate are calculated self-consistently for different frequencies f ˜ (1 kHz-1 MHz) of IR-radiation modulation (fully coupled problem). Analytical expressions for the temperature and displacement profiles across the "thermo-elastic step" are derived in the decoupling approximation for f = 0 ("static limit"), and conditions for approximation validity at low frequencies of IR-modulation are established. The step height was found to be thickness-independent for thick layers and proportional to the square of the thickness for very thin films. The theoretical results will be of potential interest for applications in the scanning thermo-ionic and thermal infrared microscopies for relatively long sample thermalization times and possibly for photothermal induced resonance microscopy using optomechanical probes.

  20. Infrared spectroscopy of ionized corannulene in the gas phase

    NARCIS (Netherlands)

    Alvaro Galué, H.; Rice, C.A.; Steill, J.D.; Oomens, J.

    2011-01-01

    The gas-phase infrared spectra of radical cationic and protonated corannulene were recorded by infrared multiple-photon dissociation (IRMPD) spectroscopy using the IR free electron laser for infrared experiments. Electrospray ionization was used to generate protonated corannulene and an IRMPD

  1. 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.

  2. Cerebral near infrared spectroscopy oximetry in extremely preterm infants

    DEFF Research Database (Denmark)

    Hyttel-Sørensen, Simon; Pellicer, Adelina; Alderliesten, Thomas

    2015-01-01

    OBJECTIVE: To determine if it is possible to stabilise the cerebral oxygenation of extremely preterm infants monitored by cerebral near infrared spectroscopy (NIRS) oximetry. DESIGN: Phase II randomised, single blinded, parallel clinical trial. SETTING: Eight tertiary neonatal intensive care unit...

  3. Electron-Transfer Acceleration Investigated by Time Resolved Infrared Spectroscopy

    Czech Academy of Sciences Publication Activity Database

    Vlček, Antonín; Kvapilová, Hana; Towrie, M.; Záliš, Stanislav

    2015-01-01

    Roč. 48, č. 3 (2015), s. 868-876 ISSN 0001-4842 Institutional support: RVO:61388955 Keywords : electron transfer * infrared spectroscopy Subject RIV: CG - Electrochemistry Impact factor: 22.003, year: 2015

  4. Cerebral near infrared spectroscopy oximetry in extremely preterm infants

    DEFF Research Database (Denmark)

    Hyttel-Sørensen, Simon; Pellicer, Adelina; Alderliesten, Thomas

    2015-01-01

    OBJECTIVE: To determine if it is possible to stabilise the cerebral oxygenation of extremely preterm infants monitored by cerebral near infrared spectroscopy (NIRS) oximetry. DESIGN: Phase II randomised, single blinded, parallel clinical trial. SETTING: Eight tertiary neonatal intensive care units...

  5. Molecular identification in metabolomics using infrared ion spectroscopy

    NARCIS (Netherlands)

    Martens, J.; Berden, G.; van Outersterp, R.E.; Kluijtmans, L.A.J.; Engelke, U.F.; van Karnebeek, C.D.M.; Wevers, R.A.; Oomens, J.

    2017-01-01

    Small molecule identification is a continually expanding field of research and represents the core challenge in various areas of (bio) analytical science, including metabolomics. Here, we unequivocally differentiate enantiomeric N-acetylhexosamines in body fluids using infrared ion spectroscopy,

  6. Quantum cascade laser infrared spectroscopy of single cancer cells

    KAUST Repository

    Patel, Imran

    2017-03-27

    Quantum cascade laser infrared spectroscopy is a next generation novel imaging technique allowing high resolution spectral imaging of cells. We show after spectral pre-processing, identification of different cancer cell populations within minutes.

  7. Fast infrared spectroscopy in supercritical fluids

    International Nuclear Information System (INIS)

    Sun, X.

    2000-05-01

    Chapter 1: Introduction. A brief introduction to supercritical fluids is given, illustrating why supercritical fluids are unique solvents and why there is a wide application of supercritical fluids in industry and laboratories. Potential ways for solvation in supercritical fluids to affect reactivity are briefly reviewed. A general introduction to the photochemistry of organometallic complexes is also given. Chapter 2: Time resolved vibrational spectroscopy. Time resolved resonance Raman is introduced and compared with Time-resolved infrared spectroscopy (TRIR). The different approaches of TRIR, including microsecond, nanosecond, and ultrafast (picosecond and femtosecond) systems are discussed. The advantages and disadvantages of these systems are also compared. The TRIR apparatus using an IR diode laser used for work in this thesis are described in detail. Experimental procedures for supercritical fluid TRIR experiments are described with emphasis on handling the IR cell for supercritical fluids and preparation of supercritical fluid solutions. Chapter 3: Photochemistry of group VIB hexacarbonyl compounds in supercritical noble gases and CO 2 solutions. A systematic TRIR study of the photolysis of M(CO) 6 in supercritical Ar, Kr, Xe, and CO 2 and the observation of M(CO) 5 L (M = Cr, Mo, and W; L = Ar (W only), Kr, Xe, and CO 2 ) is described. The second-order rate constants for the reaction of M(CO) 5 L with CO have been evaluated and the reactivity for each metal is Kr > Xe ∼ CO 2 . For M(CO) 5 Kr, M(CO) 5 Xe, or M(CO) 5 (CO 2 ), the reactivity is Cr ∼ Mo > W. In supercritical Kr doped with either Xe or CO 2 , the M(CO) 5 moiety interacts with Xe or CO 2 in preference to Kr. The effect of solvent density on the rate of the reaction of W(CO) 5 (CO 2 ) with CO has been investigated. The reaction of W(CO) 5 (CO 2 ) with CO in scCO 2 is predominantly a dissociative process. The activation energies for the reaction of W(CO) 5 Xe and W(CO) 5 (CO 2 ) with CO and

  8. Structural characterization of ammonium uranate by infrared spectroscopy

    International Nuclear Information System (INIS)

    Rodriguez S, A.

    1994-01-01

    Infrared spectroscopy have been used to investigate the chemical composition of some ammonium uranates. In this study, I have attempted to establish the interrelationship between the structure of the products, the character of their infrared spectra and x-ray diffraction data capable of consistent interpretation in terms of defining the compounds. (Author)

  9. IR Cards: Inquiry-Based Introduction to Infrared Spectroscopy

    Science.gov (United States)

    Bennett, Jacqueline; Forster, Tabetha

    2010-01-01

    As infrared spectroscopy (IR) is frequently used in undergraduate organic chemistry courses, an inductive introduction to IR spectroscopy that uses index cards printed with spectra, structures, and chemical names is described. Groups of students are given an alphabetized deck of these "IR cards" to sort into functional groups. The students then…

  10. Infrared characterization of environmental samples by pulsed photothermal spectroscopy

    International Nuclear Information System (INIS)

    Seidel, W.; Foerstendorf, H.; Heise, K.H.; Nicolai, R.; Schamlott, A.; Ortega, J.M.; Glotin, F.; Prazeres, R.

    2004-01-01

    Low concentration of toxic radioactive metals in environmental samples often limits the interpretation of results of infrared studies investigating the interaction processes between the metal ions and environmental compartments. For the first time, we could show that photothermal infrared spectroscopy performed with a pulsed free electron laser can provide reliable infrared spectra throughout a distinct spectral range of interest. In this model investigation, we provide vibrational absorption spectra of a rare earth metal salt dissolved in a KBr matrix and a natural calcite sample obtained by photothermal beam deflection (PTBD) technique and FT-IR (Fourier-transform infrared) spectroscopy, respectively. General agreement was found between all spectra of the different recording techniques. Spectral deviations were observed with samples containing low concentration of the rare earth metal salt indicating a lower detection limit of the photothermal method as compared to conventional FT-IR spectroscopy. (authors)

  11. Quantitative aspects of near-infrared Fourier transform Raman spectroscopy

    Science.gov (United States)

    Walder, F. T.; Smith, M. J.

    Three fundamental behaviors of vibrational spectroscopy data manipulation routinely associated with Fourier transform infrared (FTIR) spectroscopy are evaluated for near-infrared (NIR) Fourier transform Raman spectroscopy. Spectral reproducibility, spectral subtraction and sensitivity are examined relative to the NIR FT-Raman experiment. Quantitative predictive ability is compared for identical sets of samples containing mixtures of the three xylene isomers. Partial least-squares analysis is used to compare predictive ability. IR performance is found to be better than Raman, though the potential for method development using NIR FT-Raman is shown to be quite promising.

  12. Infrared Spectroscopy of Hyper Velocity Shock

    National Research Council Canada - National Science Library

    Erdman, Peter

    2004-01-01

    .... We have developed the experimental techniques and the instruments necessary to expand those earlier experiments into the infrared portion of the spectrum where ground-state, molecular, ro-vibrational...

  13. Far-infrared spectroscopy of HII regions

    International Nuclear Information System (INIS)

    Emery, R.J.; Kessler, M.F.

    1984-01-01

    Interest has developed rapidly in the astrophysics associated with far-infrared line emission from ionised regions, following the development of spectroscopic instruments and observing facilities appropriate to those wavelengths. Far-infrared observations and their interpretation are now at the stage where the need for specific developments in theoretical and laboratory work have been identified. The need is also apparent for the development of models dealing with more realistic astrophysical situations. (Auth.)

  14. Dust color temperature distribution of two FIR cavities at IRIS and AKARI maps

    Science.gov (United States)

    Jha, A. K.; Aryal, B.

    2018-04-01

    By systematically searching the region of far infrared loops, we found a number of huge cavity-like dust structures at 60 μ m and 100 μ m IRIS maps. By checking these with AKARI maps (90 μ m and 140 μ m), two new cavity-like structures (sizes ˜ 2.7 pc × 0.8 pc and ˜ 1.8 pc × 1 pc) located at R.A. (J2000)=14h41m23s and Dec. (J2000)=-64°04^' }17^' }' }} and R.A. (J2000)=05h05m35s and Dec. (J2000)=- 69°35^' } 25^' }' }} were selected for the study. The difference in the average dust color temperatures calculated using IRIS and AKARI maps of the cavity candidates were found to be 3.2± 0.9 K and 4.1± 1.2 K, respectively. Interestingly, the longer wavelength AKARI map gives larger values of dust color temperature than that of the shorter wavelength IRIS maps. Possible explanation of the results will be presented.

  15. Infrared spectroscopy of interstellar apolar ice analogs

    NARCIS (Netherlands)

    Ehrenfreund, P; Boogert, ACA; Gerakines, PA; Tielens, AGGM; van Dishoeck, EF

    1997-01-01

    Apolar ices have been observed in several regions in dense clouds and are likely dominated by molecules such as CO, CO(2) and the infrared inactive molecules O(2) and N(2). Interstellar solid CO has been well characterized by ground-based high resolution measurements. Recent ISO results showed the

  16. WW Domain Folding Complexity Revealed by Infrared Spectroscopy

    OpenAIRE

    Davis, Caitlin M.; Dyer, R. Brian

    2014-01-01

    Although the intrinsic tryptophan fluorescence of proteins offers a convenient probe of protein folding, interpretation of the fluorescence spectrum is often difficult because it is sensitive to both global and local changes. Infrared (IR) spectroscopy offers a complementary measure of structural changes involved in protein folding, because it probes changes in the secondary structure of the protein backbone. Here we demonstrate the advantages of using multiple probes, infrared and fluorescen...

  17. Infrared Spectroscopy in the Study of Renal Lithiasis

    Science.gov (United States)

    Fernández-Almeida, Jesús; Fernández-Gacio, Ana; Marcos, Carlos F.; Fernández-Gacio, Maira

    2003-08-01

    Infrared spectroscopic analysis of urinary stones is presented as a laboratory experiment for undergraduate students studying life sciences. Infrared spectroscopy, usually combined with the observation of macroscopic and microscopic features, is the preferred tool for unequivocal determination of renal stones composition. In this paper we represent and discuss the IR spectra of some of the most common types of urinary calculi occurring in humans and domestic animals.

  18. Application of infrared spectroscopy for diagnosis of kidney tumor tissue

    OpenAIRE

    Bandzevičiūtė, Rimantė

    2016-01-01

    Application of Infrared Spectroscopy for Diagnosis of Kidney Tumor Tissue It is possible to apply the technique of an attenuated total reflection of infrared radiation (ATR IR) for the characterisation of the removed tissues during the surgery. Application of this method for interstitium of the removed tissue does not require any specific sample preparation. For this reason ATR IR technique applied for the interstitium allows to get information about tissues immediately after surgical operati...

  19. Infrared and Raman Spectroscopy Principles and Spectral Interpretation

    CERN Document Server

    Larkin, Peter

    2011-01-01

    Infrared and Raman Spectroscopy: Principles and Spectral Interpretation explains the background, core principles and tests the readers understanding of the important techniques of Infrared and Raman Spectroscopy. These techniques are used by chemists, environmental scientists, forensic scientists etc to identify unknown chemicals. In the case of an organic chemist these tools are part of an armory of techniques that enable them to conclusively prove what compound they have made, which is essential for those being used in medical applications. The book reviews basic principles, instrumentation

  20. Infrared absorption spectroscopy and chemical kinetics of free radicals

    Energy Technology Data Exchange (ETDEWEB)

    Curl, R.F.; Glass, G.P. [Rice Univ., Houston, TX (United States)

    1993-12-01

    This research is directed at the detection, monitoring, and study of chemical kinetic behavior by infrared absorption spectroscopy of small free radical species thought to be important intermediates in combustion. During the last year, infrared kinetic spectroscopy using excimer laser flash photolysis and color-center laser probing has been employed to study the high resolution spectrum of HCCN, the rate constant of the reaction between ethynyl (C{sub 2}H) radical and H{sub 2} in the temperature region between 295 and 875 K, and the recombination rate of propargyl (CH{sub 2}CCH) at room temperature.

  1. Fourier transform infrared spectroscopy for sepia melanin

    CSIR Research Space (South Africa)

    Mbonyiryivuze, A

    2015-08-01

    Full Text Available range of electromagnetic radiation, antibiotic, thermoregulation. Melanins are found all over the body from the skin and blood to the nervous system but the role of melanin in all these system is unclear. FTIR spectroscopy technique is usually one...

  2. Analyzing Engineered Nanoparticles using Photothermal Infrared Spectroscopy

    DEFF Research Database (Denmark)

    Yamada, Shoko

    fabricated, and Gambles solution with dispersed iron oxide nanoparticles showed lowered potential as expected. Despite the potential of this concept instability and lack of reproducibility continued to be an unneglectable issue. The concept of utilizing string resonators for photothermal spectroscopy was...

  3. Effects of plume afterburning on infrared spectroscopy

    Science.gov (United States)

    Zhu, Xijuan; Xu, Ying; Ma, Jing; Duan, Ran; Wu, Jie

    2017-10-01

    Contains H2, CO and unburned components of high-temperature plume of rocket engine, then injected into the atmosphere, continue to carry out the oxidation reaction in the plume near field region with the volume in the plume of oxygen in the air, two times burning. The afterburning is an important cause of infrared radiation intensification of propellant plume, which increases the temperature of the flame and changes the components of the gas, thus enhancing the infrared radiation intensity of the flame. [1]. Two the combustion numerical using chemical reaction mechanism involving HO2 intermediate reaction, the study confirmed that HO2 is a key intermediate, plays a decisive role to trigger early response, on afterburning temperature and flow concentration distribution effect. A finite rate chemical reaction model is used to describe the two burning phenomenon in high temperature plume[2]. In this paper, a numerical simulation of the flame flow field and radiative transfer is carried out for the afterburning phenomenon. The effects of afterburning on the composition, temperature and infrared radiation of the plume are obtained by comparison.

  4. Near infrared spectroscopy of food systems using a supercontinuum laser

    DEFF Research Database (Denmark)

    Ringsted, Tine

    Mid-infrared and particularly near-infrared spectroscopy is extremely useful for food analysis because they measure chemical and physical properties fast and non-destructively. The advancement of a supercontinuum light source covering the near-infrared and parts of the ultraviolet and mid......)) can be obtained, (c) that the supercontinuum light is fiber compatible i.e. it can couple directly to fibers, and (d) that the fast repetition rate of the supercontinuum pulses makes it possible to do very fast measurements. For these reasons, the supercontinuum light stands out from the commonly...... applied near- and mid-infrared incandescent light bulbs. This thesis aim to explore the utility of using a supercontinuum source in two food applications. (1) The supercontinuum light was applied for the first time to barley seeds in transmission mode in the long wavelength near-infrared region from 2260...

  5. AUTHENTICATION OF WILD AND REARED SEA BASS BY INFRARED SPECTROSCOPY NIRs (NEAR INFRARED REFLECTANCE SPECTROSCOPY

    Directory of Open Access Journals (Sweden)

    E. Novelli

    2009-09-01

    Full Text Available The aim of this study was to evaluate NIRs (Near Infrared Reflectance Spectroscopy performances in the prediction of Farmed vs.Wild production method in European sea bass. Samples collected (n=39 were submitted to analysis in order to assess chemical composition and fatty acids profile of fillets. Aliquots of wet and ground freeze-dried minced samples were scanned in duplicates (1100 to 2498 nm; 2 nm intervals in reflectance mode using a monochromator NIRsystem 5000. NIRs technique showed a satisfactory accurateness in predicting Protein, Lipids and Fatty acids profile in raw samples. Sample lyophilisation increased some predicting values (r2: coefficient of determination on cross-validation range from 0,671 to 0,992; SECV: standard error of cross-validation range from 0,864 to 2,981. Results showed that NIRs technique was able to discriminate between Wild (94,7% samples recognized and Farmed (100% samples recognized using wet muscles, and 100% for both classes on ground freeze-dried fillet.

  6. Prediction of cereal feed value by near infrared spectroscopy

    DEFF Research Database (Denmark)

    Jørgensen, Johannes Ravn

    -consuming and costly, and it is therefore desirable to have a rapid and less expensive method, which makes it possible to carry out more analyses in-situ. Near infra-red reflection spectroscopy (NIRS) is appropriate as a standard analysis of dry matter, total N, starch and is today used routinely by grain traders...

  7. Social Perception in Infancy: A Near Infrared Spectroscopy Study

    Science.gov (United States)

    Lloyd-Fox, Sarah; Blasi, Anna; Volein, Agnes; Everdell, Nick; Elwell, Claire E.; Johnson, Mark H.

    2009-01-01

    The capacity to engage and communicate in a social world is one of the defining characteristics of the human species. While the network of regions that compose the social brain have been the subject of extensive research in adults, there are limited techniques available for monitoring young infants. This study used near infrared spectroscopy to…

  8. WW domain folding complexity revealed by infrared spectroscopy.

    Science.gov (United States)

    Davis, Caitlin M; Dyer, R Brian

    2014-09-02

    Although the intrinsic tryptophan fluorescence of proteins offers a convenient probe of protein folding, interpretation of the fluorescence spectrum is often difficult because it is sensitive to both global and local changes. Infrared (IR) spectroscopy offers a complementary measure of structural changes involved in protein folding, because it probes changes in the secondary structure of the protein backbone. Here we demonstrate the advantages of using multiple probes, infrared and fluorescence spectroscopy, to study the folding of the FBP28 WW domain. Laser-induced temperature jumps coupled with fluorescence or infrared spectroscopy have been used to probe changes in the peptide backbone on the submillisecond time scale. The relaxation dynamics of the β-sheets and β-turn were measured independently by probing the corresponding IR bands assigned in the amide I region. Using these wavelength-dependent measurements, we observe three kinetics phases, with the fastest process corresponding to the relaxation kinetics of the turns. In contrast, fluorescence measurements of the wild-type WW domain and tryptophan mutants exhibit single-exponential kinetics with a lifetime that corresponds to the slowest phase observed by infrared spectroscopy. Mutant sequences provide evidence of an intermediate dry molten globule state. The slowest step in the folding of this WW domain is the tight packing of the side chains in the transition from the dry molten globule intermediate to the native structure. This study demonstrates that using multiple complementary probes enhances the interpretation of protein folding dynamics.

  9. 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 ...

  10. Near-infrared spectroscopy for monitoring muscle oxygenation

    DEFF Research Database (Denmark)

    Boushel, Robert Christopher; Piantadosi, C A

    2000-01-01

    Near-infrared spectroscopy (NIRS) is a non-invasive method for monitoring oxygen availability and utilization by the tissues. In intact skeletal muscle, NIRS allows semi-quantitative measurements of haemoglobin plus myoglobin oxygenation (tissue O2 stores) and the haemoglobin volume. Specialized...

  11. Infrared spectroscopy of the different types of second order structural ...

    African Journals Online (AJOL)

    Infrared spectroscopy of the different types of second order structural phase transitions in molecular crystals. G Djeteli, K Tepe, K Napo, R Guerin. Abstract. No Abstract. Global Journal of Pure and Applied Sciences Vol. 13 (1) 2007: pp. 119-123. Full Text: EMAIL FULL TEXT EMAIL FULL TEXT · DOWNLOAD FULL TEXT ...

  12. Progress in far-infrared spectroscopy: Approximately 1890 to 1970

    Science.gov (United States)

    Mitsuishi, Akiyoshi

    2014-03-01

    The history of far-infrared spectroscopy from its beginning to around 1970 is reviewed. Before World War II, the size of the community investigating this topic was limited. During this period, in particular before 1925, about 90% of the papers were published by H. Rubens and his co-workers in Germany. One or two researchers from the US joined the Rubens group per year from 1890 to the beginning of 1910. During the next year or two, some researchers joined M. Czerny, who is seen as the successor of Rubens. After World War II, far-infrared techniques progressed further in the US, which did not suffer damage during the war. The advanced techniques of far-infrared grating spectroscopy were transferred from the US (R. A. Oetjen) to Japan (H. Yoshinaga). Yoshinaga and his co-workers expanded the techniques by themselves. This paper describes the historical development of far-infrared spectroscopy before Fourier transform spectroscopy became popular around 1970.

  13. Quantitative near infra-red spectroscopy of massive stars

    NARCIS (Netherlands)

    Stap, F.A.; Sana, H.; de Koter, A.

    2011-01-01

    Interest in near infra-red spectroscopy of massive stars has increased dramatically over the last decades, as it offers the possibility to analyze stars embedded in dusty star forming regions and near the Galactic center. We present an analysis of both high resolution optical and, separately, high

  14. Forensic applications of microscopical infrared internal reflection spectroscopy

    Science.gov (United States)

    Tungol, Mary W.; Bartick, Edward G.; Reffner, John A.

    1994-01-01

    Applications of microscopical infrared internal reflection spectroscopy in forensic science are discussed. Internal reflection spectra of single fibers, hairs, paint chips, vehicle rubber bumpers, photocopy toners, carbon copies, writing ink on paper, lipstick on tissue, black electrical tape, and other types of forensic evidence have been obtained. The technique is convenient, non-destructive, and may permit smeared materials to be analyzed in situ.

  15. Structural identification of gas-phase biomolecules using infrared spectroscopy

    NARCIS (Netherlands)

    Bakker, J.M.

    2004-01-01

    Weak intra- and intermolecular interactions as well as subtle electronic effects can have a large influence on molecular structure. Infrared (IR) spectroscopy can be a useful tool to investigate these effects. In this thesis, the Free-Electron Laser FELIX is used to study several molecular model

  16. High resolution spectroscopy in the microwave and far infrared

    Science.gov (United States)

    Pickett, Herbert M.

    1990-01-01

    High resolution rotational spectroscopy has long been central to remote sensing techniques in atmospheric sciences and astronomy. As such, laboratory measurements must supply the required data to make direct interpretation of data for instruments which sense atmospheres using rotational spectra. Spectral measurements in the microwave and far infrared regions are also very powerful tools when combined with infrared measurements for characterizing the rotational structure of vibrational spectra. In the past decade new techniques were developed which have pushed high resolution spectroscopy into the wavelength region between 25 micrometers and 2 mm. Techniques to be described include: (1) harmonic generation of microwave sources, (2) infrared laser difference frequency generation, (3) laser sideband generation, and (4) ultrahigh resolution interferometers.

  17. Infrared absorption spectroscopy with color center lasers

    Science.gov (United States)

    Carrick, P. G.; Curl, R. F.; Tittel, F. K.; Koester, E.; Pfeiffer, J.; Kasper, J. V. V.

    Results are presented of the application of a computer controlled color center laser combined with Stark modulation and magnetic rotation effect modulation for obtaining high resolution spectra of molecular species. The lowest electronic transition of the C2H free radical, of interest in astrophysics, is observed near 3772/cm and the high resolution spectra of methanol and hydroxylamine in the OH stretching region are obtained. It is concluded that color center laser absorption spectroscopy combined with sensitivy enhancement through modulation techniques is a sensitive and versatile means of determining the spectra of free radicals and transient molecules in the infared region.

  18. Infrared quantitative spectroscopy and planetary atmospheres

    Science.gov (United States)

    Flaud, J.-M.

    2009-04-01

    Optical measurements of atmospheric minor constituents are carried out using spectrometers working in the UV-visible, infrared and microwave spectral ranges. In all cases the quality of the analysis and of the interpretation of the atmospheric spectra requires the best possible knowledge of the molecular parameters of the species of interest. To illustrate this point we will concentrate on recent laboratory studies of nitric acid, chlorine nitrate and formaldehyde. Nitric acid is one of the important minor constituent of the terrestrial atmosphere. Using new and accurate experimental results concerning the spectroscopic properties of the H14NO3 and H15NO3 molecules, as well as improved theoretical methods (Perrin et al., 2004), it has been possible to generate an improved set of line parameters for these molecules in the 11.2 μm spectral region. These line parameters were used to detect for the first time the H15NO3 molecule in the atmosphere analyzing atmospheric spectra recorded by the MIPAS experiment. The retrievals of chlorine nitrate profiles are usually performed using absorption cross sections (Birk and Wagner, 2003). Following a high resolution analysis of the ν3 and ν4bands of this species in the 12.8 μm region wepropose, as a possibility, to use line by line calculation simulating its ν4Q-branch for the atmospheric temperature and pressure ranges. For the measurement of atmospheric formaldehyde concentrations, mid-infrared and ultraviolet absorptions are both used by ground, air or satellite instruments. It is then of the utmost importance to have consistent spectral parameters in these various spectral domains. Consequently the aim of the study performed at LISA (Gratien et al., 2007) was to intercalibrate formaldehyde spectra in the infrared and ultraviolet regions acquiring simultaneously UV and IR spectra using a common optical cell. The results of the work will be presented. Also high resolution infrared data derived from Perrin et al., 2003

  19. Bird sexing by Fourier transform infrared spectroscopy

    Science.gov (United States)

    Steiner, Gerald; Bartels, Thomas; Krautwald-Junghanns, Maria-Elisabeth; Koch, Edmund

    2010-02-01

    Birds are traditionally classified as male or female based on their anatomy and plumage color as judged by the human eye. Knowledge of a bird's gender is important for the veterinary practitioner, the owner and the breeder. The accurate gender determination is essential for proper pairing of birds, and knowing the gender of a bird will allow the veterinarian to rule in or out gender-specific diseases. Several biochemical methods of gender determination have been developed for avian species where otherwise the gender of the birds cannot be determined by their physical appearances or characteristics. In this contribution, we demonstrate that FT-IR spectroscopy is a suitable tool for a quick and objective determination of the bird's gender. The method is based on differences in chromosome size. Male birds have two Z chromosomes and female birds have a W-chromosome and a Z-chromosome. Each Z-chromosome has approx. 75.000.000 bps whereas the W-chromosome has approx. 260.00 bps. This difference can be detected by FT-IR spectroscopy. Spectra were recorded from germ cells obtained from the feather pulp of chicks as well as from the germinal disk of fertilized but non-bred eggs. Significant changes between cells of male and female birds occur in the region of phosphate vibrations around 1080 and 1120 cm-1.

  20. Monitoring the alcoholysis of isocyanates with infrared spectroscopy

    Science.gov (United States)

    Kössl, F.; Lisaj, M.; Kozich, V.; Heyne, K.; Kühn, O.

    2015-02-01

    The alcoholysis reaction of phenylisocyanate with cyclohexanol (I) and of 2,4-toluene-diisocyanate with chloraldhydrate (II) is studied by infrared absorption spectroscopy in combination with anharmonic frequency calculations using density functional theory. It is shown that the progress of the reaction can be monitored by measuring infrared marker bands in the isocyanate NCO and alcohol OH stretching regions. Analysis of spectra obtained as a function of time for different temperatures yields a second-order kinetics with an Arrhenius activation energy of 6.7 ± 0.2 and 2.8 ± 0.3 kcal/mol for reaction I and II, respectively.

  1. Synchrotron-based far-infrared spectroscopy of nickel tungstate

    International Nuclear Information System (INIS)

    Kalinko, A.; Kuzmin, A.; Roy, P.; Evarestov, R.A.

    2016-01-01

    Monoclinic antiferromagnetic NiWO 4 was studied by far-infrared (30-600 cm -1 ) absorption spectroscopy in the temperature range of 5-300 K using the synchrotron radiation from SOLEIL source. Two isomorphous CoWO 4 and ZnWO 4 tungstates were investigated for comparison. The phonon contributions in the far-infrared range of tungstates were interpreted using the first-principles spin-polarized linear combination of atomic orbital calculations. No contributions from magnetic excitations were found in NiWO 4 and CoWO 4 below their Neel temperatures down to 5 K.

  2. Infrared Spectroscopy Beamline Based on a Tabletop Storage Ring

    OpenAIRE

    Haque, Md. Monirul; Moon, Ahsa; Yamada, Hironari

    2012-01-01

    An optical beamline dedicated to the infrared (IR) spectroscopy has been constructed at MIRRORCLE, a tabletop storage ring. The beamline has been designed for the use of infrared synchrotron radiation (IRSR) emitted from a bending magnet of 156 mm bending radius with the acceptance angle of 355(H) × 138(V) mrad to obtain high flux. The IR emission is forced by an exactly circular optics, named photon storage ring (PhSR), placed around the electron orbit and is collected by a “magic mirror” as...

  3. Far-Infrared Spectroscopy of Weakly Bound Hydrated Cluster Molecules

    DEFF Research Database (Denmark)

    Andersen, Jonas

    -sized molecular clusters with water by means of far-infrared and terahertz neon matrix isolation spectroscopy. The embedding of non-covalent cluster molecules in solid cryogenic neon matrices at 2.8 K ensures a high sensitivity for direct spectroscopic observations of the large-amplitude intermolecular...... vibrational bands of the cluster molecules in the challenging far-infrared and terahertz spectral regions.A key parameter in the validation of the performance of theoretical predictions for weak non-covalent intermolecular interactions is the dissociation energy D0 that depends heavily on the class of large...

  4. Exploring proton doping in poly-3-methylpyrrole by infrared spectroscopy

    International Nuclear Information System (INIS)

    Sanchez de la Blanca, E.; Carrillo, I.; Redondo, M.I.; Gonzalez-Tejera, M.J.; Garcia, M.V.

    2007-01-01

    Structural changes induced by electrochemical redox processes or by pH variations on conducting poly-3-methylpyrrole, electrochemically synthesized in NaClO 4 acetonitrile solution, have been studied by infrared spectroscopy. With this aim infrared spectra of perchlorate doped poly-3-methylpyrrole films at different oxidation states as well as after immersion in acid (pH = 1) and basic (pH = 12.6) aqueous solutions have been analysed. The existence of proton-doping mechanism in this polymer has been confirmed from the comparative study of spectra of oxidized/reduced and acid/basic treated polymer

  5. Breast phantom for mammary tissue characterization by near infrared spectroscopy

    International Nuclear Information System (INIS)

    Miranda, D A; Cristiano, K L; Gutiérrez, J C

    2013-01-01

    Breast cancer is a disease associated to a high morbidity and mortality in the entire world. In the study of early detection of breast cancer the development of phantom is so important. In this research we fabricate a breast phantom using a ballistic gel with special modifications to simulate a normal and abnormal human breast. Optical properties of woman breast in the near infrared region were modelled with the phantom we developed. The developed phantom was evaluated with near infrared spectroscopy in order to study its relation with breast tissue. A good optical behaviour was achieved with the model fabricated

  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. Protein folding and misfolding shining light by infrared spectroscopy

    CERN Document Server

    Fabian, Heinz

    2012-01-01

    Infrared spectroscopy is a new and innovative technology to study protein folding/misfolding events in the broad arsenal of techniques conventionally used in this field. The progress in understanding protein folding and misfolding is primarily due to the development of biophysical methods which permit to probe conformational changes with high kinetic and structural resolution. The most commonly used approaches rely on rapid mixing methods to initiate the folding event via a sudden change in solvent conditions. Traditionally, techniques such as fluorescence, circular dichroism or visible absorption are applied to probe the process. In contrast to these techniques, infrared spectroscopy came into play only very recently, and the progress made in this field up to date which now permits to probe folding events over the time scale from picoseconds to minutes has not yet been discussed in a book. The aim of this book is to provide an overview of the developments as seen by some of the main contributors to the field...

  8. Noninvasive detection of gas exchange rate by near infrared spectroscopy

    Science.gov (United States)

    Xu, Guodong; Mao, Zongzhen; Wang, Bangde

    2008-12-01

    In order to study the relationship among the oxygen concentration in skeletal muscle tissues and the heart rate (HR), oxygen uptake (VO2), respiratory exchange ratio (RER) during incremental running exercises on a treadmill, a near-infrared spectroscopy muscle oxygen monitor system is employed to measure the relative change in muscle oxygenation, with the heart rate, oxygen uptake, production of carbon dioxide (VCO2) and respiratory exchange ratio are recorded synchronously. The results indicate parameters mentioned above present regular changes during the incremental exercise. High correlations are discovered between relative change of oxy-hemoglobin concentration and heart rate, oxygen uptake, respiratory exchange ratio at the significance level (P=0.01). This research might introduce a new measurement technology and/or a novel biological monitoring parameter to the evaluation of physical function status, control the training intensity, estimation of the effectiveness of exercise. Keywords: near-infrared spectroscopy; muscle oxygen concentration; heart rate; oxygen uptake; respiratory exchange ratio.

  9. Practical guide to interpretive near-infrared spectroscopy

    CERN Document Server

    Workman, Jr, Jerry

    2007-01-01

    Containing focused, comprehensive coverage, Practical Guide to Interpretive Near-Infrared Spectroscopy gives you the tools necessary to interpret NIR spectra. The authors present extensive tables, charts, and figures with NIR absorption band assignments and structural information for a broad range of functional groups, organic compounds, and polymers. They include visual spectral representation of all major compound functional groupings and NIR frequency ranges. Organized by functional group type and chemical structure, based on standard compound classification, the chapters are easy to

  10. Exploring process dynamics by near infrared spectroscopy in lactic fermentations

    DEFF Research Database (Denmark)

    Svendsen, Carina; Cieplak, Tomasz; van der Berg, Franciscus Winfried J

    2016-01-01

    the chemical composition, physical/textural properties and/or microbial contamination. In this study lactic fermentation batches with the starter bacteria Streptococcus thermophilus and Lactobacillus delbrueckii subsp. bulgaricus are explored by in-line near infrared (NIR) spectroscopy. The dynamics obtained...... and absorption, where the scatter gives us information about the textural change happening, and the absorption gives us information about the biomass formation plus the conversion of sugar into lactic acid....

  11. Identification of Clay Minerals by Infrared Spectroscopy and Discriminant Analysis

    Czech Academy of Sciences Publication Activity Database

    Ritz, M.; Vaculíková, Lenka; Plevová, Eva

    2010-01-01

    Roč. 64, č. 12 (2010), s. 1379-1387 ISSN 0003-7028 R&D Projects: GA ČR GA105/08/1398; GA ČR GP105/07/P416 Institutional research plan: CEZ:AV0Z30860518 Keywords : clay minerals * infrared spectroscopy * discriminant analysis Subject RIV: CB - Analytical Chemistry, Separation Impact factor: 1.729, year: 2010 http://www.ingentaconnect.com/content/sas/sas/2010/00000064/00000012/art00017

  12. Enhancing the Responsivity of Uncooled Infrared Detectors Using Plasmonics for High-Performance Infrared Spectroscopy

    Directory of Open Access Journals (Sweden)

    Amr Shebl Ahmed

    2017-04-01

    Full Text Available A lead zirconate titanate (PZT;Pb(Zr0.52Ti0.48O3 layer embedded infrared (IR detector decorated with wavelength-selective plasmonic crystals has been investigated for high-performance non-dispersive infrared (NDIR spectroscopy. A plasmonic IR detector with an enhanced IR absorption band has been designed based on numerical simulations, fabricated by conventional microfabrication techniques, and characterized with a broadly tunable quantum cascade laser. The enhanced responsivity of the plasmonic IR detector at specific wavelength band has improved the performance of NDIR spectroscopy and pushed the limit of detection (LOD by an order of magnitude. In this paper, a 13-fold enhancement in the LOD of a methane gas sensing using NDIR spectroscopy is demonstrated with the plasmonic IR detector.

  13. [Infrared spectroscopy and XRD studies of coral fossils].

    Science.gov (United States)

    Chen, Quan-li; Zhou, Guan-min; Yin, Zuo-wei

    2012-08-01

    Coral fossil is an old remain of multicellular animal on the earth, and formed by various geological processes. The structural characteristics and compositions of the coral fossils with different color and radial texture on the surface were studied by infrared absorption spectroscopy and X-ray powder diffraction analyses. The results show that the studied coral fossils mainly are composed of SiO2, and the radial microstructure characterized by the calcareous coral cross-section is preserved. It is formed by metasomatism by SiO2. The infrared absorption spectra of the coral fossil with different color and texture are essentially the same, showing typical infrared absorption spectra of the quartz jade. XRD analysis shows that the main components of the coral fossils with different color and texture are consistent and mainly composed of SiO2 with a trace amount of other minerals and without CaCO3.

  14. Near Infrared Spectroscopy: fundamentals, practical aspects and analytical applications

    Directory of Open Access Journals (Sweden)

    Pasquini Celio

    2003-01-01

    Full Text Available This paper intends to review the basic theory of Near Infrared (NIR Spectroscopy and its applications in the field of Analytical Science. It is addressed to the reader who does not have a profound knowledge of vibrational spectroscopy but wants to be introduced to the analytical potentialities of this fascinating technique and, at same time, be conscious of its limitations. Essential theory background, an outline of modern instrument design, practical aspects, and applications in a number of different fields are presented. This work does not intend to supply an intensive bibliography but refers to the most recent, significant and representative material found in the technical literature. Because this paper has been produced as consequence of the First Workshop on Near Infrared Spectroscopy, whose venue was Campinas - Brazil, as a pre-conference activity of the XI National Meeting on Analytical Chemistry (ENQA, it also depicts the state of the art of NIR spectroscopy in Brazil, pointing out the current achievements and the need to take the technology to a level consistent with this country's economical activities.

  15. An infrared spectroscopy method to detect ammonia in gastric juice.

    Science.gov (United States)

    Giovannozzi, Andrea M; Pennecchi, Francesca; Muller, Paul; Balma Tivola, Paolo; Roncari, Silvia; Rossi, Andrea M

    2015-11-01

    Ammonia in gastric juice is considered a potential biomarker for Helicobacter pylori infection and as a factor contributing to gastric mucosal injury. High ammonia concentrations are also found in patients with chronic renal failure, peptic ulcer disease, and chronic gastritis. Rapid and specific methods for ammonia detection are urgently required by the medical community. Here we present a method to detect ammonia directly in gastric juice based on Fourier transform infrared spectroscopy. The ammonia dissolved in biological liquid samples as ammonium ion was released in air as a gas by the shifting of the pH equilibrium of the ammonium/ammonia reaction and was detected in line by a Fourier transform infrared spectroscopy system equipped with a gas cell for the quantification. The method developed provided high sensitivity and selectivity in ammonia detection both in pure standard solutions and in a simulated gastric juice matrix over the range of diagnostic concentrations tested. Preliminary analyses were also performed on real gastric juice samples from patients with gastric mucosal injury and with symptoms of H. pylori infection, and the results were in agreement with the clinicopathology information. The whole analysis, performed in less than 10 min, can be directly applied on the sample without extraction procedures and it ensures high specificity of detection because of the ammonia fingerprint absorption bands in the infrared spectrum. This method could be easily used with endoscopy instrumentation to provide information in real time and would enable the endoscopist to improve and integrate gastroscopic examinations.

  16. Can infrared spectroscopy provide information on protein-protein interactions?

    Science.gov (United States)

    Haris, Parvez I

    2010-08-01

    For most biophysical techniques, characterization of protein-protein interactions is challenging; this is especially true with methods that rely on a physical phenomenon that is common to both of the interacting proteins. Thus, for example, in IR spectroscopy, the carbonyl vibration (1600-1700 cm(-1)) associated with the amide bonds from both of the interacting proteins will overlap extensively, making the interpretation of spectral changes very complicated. Isotope-edited infrared spectroscopy, where one of the interacting proteins is uniformly labelled with (13)C or (13)C,(15)N has been introduced as a solution to this problem, enabling the study of protein-protein interactions using IR spectroscopy. The large shift of the amide I band (approx. 45 cm(-1) towards lower frequency) upon (13)C labelling of one of the proteins reveals the amide I band of the unlabelled protein, enabling it to be used as a probe for monitoring conformational changes. With site-specific isotopic labelling, structural resolution at the level of individual amino acid residues can be achieved. Furthermore, the ability to record IR spectra of proteins in diverse environments means that isotope-edited IR spectroscopy can be used to structurally characterize difficult systems such as protein-protein complexes bound to membranes or large insoluble peptide/protein aggregates. In the present article, examples of application of isotope-edited IR spectroscopy for studying protein-protein interactions are provided.

  17. Infrared Heterodyne Spectroscopy and its Unique Application to Planetary Studies

    Science.gov (United States)

    Kostiuk, Theodore

    2009-01-01

    Since the early 1970's the infrared heterodyne technique has evolved into a powerful tool for the study of molecular constituents, temperatures, and dynamics in planetary atmospheres. Its extremely high spectral resolution (Lambda/(Delta)Lambda/>10(exp 6)) and highly accurate frequency measurement (to 1 part in 10(exp 8)) enabled the detection of nonthermal/natural lasing phenomena on Mars and Venus; direct measurements of winds on Venus, Mars, and Titan; study of mid-infrared aurorae on Jupiter; direct measurement of species abundances on Mars (ozone, isotopic CO2), hydrocarbons on Jupiter, Saturn., Neptune, and Titan, and stratospheric composition in the Earth's stratosphere (O3, CIO, N2O, CO2 ....). Fully resolved emission and absorption line shapes measured by this method enabled the unambiguous retrieval of molecular abundances and local temperatures and thermal structure in regions not probed by other techniques. The mesosphere of Mars and thermosphere of Venus are uniquely probed by infrared heterodyne spectroscopy. Results of these studies tested and constrained photochemical and dynamical theoretical models describing the phenomena measured. The infrared heterodyne technique will be described. Highlights in its evolution to today's instrumentation and resultant discoveries will be presented, including work at Goddard Space Flight Center and the University of Koln. Resultant work will include studies supporting NASA and ESA space missions and collaborations between instrumental and theoretical groups.

  18. [Application of near-infrared spectroscopy in golf turfgrass management].

    Science.gov (United States)

    Li, Shu-Ying; Han, Jian-Guo

    2008-07-01

    The management of golf course is different from other turfs. Its particularity lies in its higher and more precise requirement during maintenance compare with other turfs. In case something happened to turf of golf course, more effective and higher speed detecting and resolution are required. Only the data about turf growth and environment were mastered precisely in time, the friendly environmental and scientific management goal could be completed effectively and economically. The near infrared spectroscopy is a new kind of effective, convenient and non-destructive analytical method in the turfgrass management of golf course in recent years. Many factors of turf-soil system in golf course could be determined by near infrared spectroscopy at the same time. In this paper, the existing literature that use of near infrared spectroscopy to study turfgrass and soil nutrient content, soil hygroscopic moisture, feasible fertilizer application time and rate, to fix the time and volume of irrigation, turfgrass visual quality evaluation, turfgrass disease prediction and prevention were reviewed. Most researchers considered the nutrition condition of turf impacted the visual and playing quality of golf course directly and then indirectly influenced most of assistant cultivation such as fertilization, mowing and irrigation and so on. The using of NIRS can detect the nutrient content of turfgrass effectively and estimate the nutrient is excessive or deficient quickly. And then the feasible time and rate of fertilizers can be decided. Comparing with the common judgment ways based on the season fertilization and visual estimation, the using of NIRS can reduce the application of fertilizers on the base of keeping the same turf quality simultaneously. NIRS can analysis many items of soil such as moisture, elements concentration, textures on the spot by the thousands. This method can get lots of cover-all data non-destructively. What's more, NIRS can analysis soil betimes quickly

  19. Neuroimaging with functional near infrared spectroscopy: From formation to interpretation

    Science.gov (United States)

    Herrera-Vega, Javier; Treviño-Palacios, Carlos G.; Orihuela-Espina, Felipe

    2017-09-01

    Functional Near Infrared Spectroscopy (fNIRS) is gaining momentum as a functional neuroimaging modality to investigate the cerebral hemodynamics subsequent to neural metabolism. As other neuroimaging modalities, it is neuroscience's tool to understand brain systems functions at behaviour and cognitive levels. To extract useful knowledge from functional neuroimages it is critical to understand the series of transformations applied during the process of the information retrieval and how they bound the interpretation. This process starts with the irradiation of the head tissues with infrared light to obtain the raw neuroimage and proceeds with computational and statistical analysis revealing hidden associations between pixels intensities and neural activity encoded to end up with the explanation of some particular aspect regarding brain function.To comprehend the overall process involved in fNIRS there is extensive literature addressing each individual step separately. This paper overviews the complete transformation sequence through image formation, reconstruction and analysis to provide an insight of the final functional interpretation.

  20. Measuring cloud thermodynamic phase with shortwave infrared imaging spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Thompson, David R. [Jet Propulsion Laboratory, California Institute of Technology, Pasadena California USA; McCubbin, Ian [Jet Propulsion Laboratory, California Institute of Technology, Pasadena California USA; Desert Research Institute, Reno Nevada USA; Gao, Bo Cai [Naval Research Laboratory, Washington District of Columbia USA; Green, Robert O. [Jet Propulsion Laboratory, California Institute of Technology, Pasadena California USA; Matthews, Alyssa A. [Pacific Northwest National Laboratory, Richland Washington USA; Mei, Fan [Pacific Northwest National Laboratory, Richland Washington USA; Meyer, Kerry G. [Goddard Earth Science Technology and Research, Universities Space Research Association, Columbia Maryland USA; NASA Goddard Space Flight Center, Greenland Maryland USA; Platnick, Steven [NASA Goddard Space Flight Center, Greenland Maryland USA; Schmid, Beat [Pacific Northwest National Laboratory, Richland Washington USA; Tomlinson, Jason [Pacific Northwest National Laboratory, Richland Washington USA; Wilcox, Eric [Desert Research Institute, Reno Nevada USA

    2016-08-12

    Shortwave Infrared imaging spectroscopy enables accurate remote mapping of cloud thermodynamic phase at high spatial resolution. We describe a measurement strategy to exploit signatures of liquid and ice absorption in cloud top apparent reflectance spectra from 1.4 to 1.8 μm. This signal is generally insensitive to confounding factors such as solar angles, view angles, and surface albedo. We first evaluate the approach in simulation and then apply it to airborne data acquired in the Calwater-2/ACAPEX campaign of Winter 2015. Here NASA’s “Classic” Airborne Visible Infrared Imaging Spectrometer (AVIRIS-C) remotely observed diverse cloud formations while the U.S. Department of Energy ARM Aerial Facility G-1 aircraft measured cloud integral and microphysical properties in situ. Finally, the coincident measurements demonstrate good separation of the thermodynamic phases for relatively homogeneous clouds.

  1. Infrared spectroscopy and spectroscopic imaging in forensic science.

    Science.gov (United States)

    Ewing, Andrew V; Kazarian, Sergei G

    2017-01-16

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

  2. Infrared Spectroscopy Measurements of Protein Dynamics and Mechanism

    Science.gov (United States)

    Meuse, Curtis W.; Hubbard, Joseph B.

    2011-03-01

    Infrared spectroscopy has long been used to deduce the concentration and secondary structures of proteins in a variety of static and time resolved applications. Our focus is on developing new infrared methods to compare the structure, dynamics and function of nearly identical protein samples, in different environments, to apply to the problem of identifying bio-similar protein therapeutics. We have developed an order parameter describing protein conformation variations around the average molecular values. By comparing our order parameter and amide hydrogen/deuterium exchange methods, we explore the relationship between protein stability and the dynamics of the protein conformational distribution. Examples include lysozyme and albumin in solution, cytochrome c interacting with lipid membranes of varying net-negative surface charge density, fibrinogen on different polymer surfaces and bacteriorhodopsin during its photocycle.

  3. Vibrational Spectroscopy of Intramolecular Hydrogen Bonds in the Infrared and Near-Infrared Regions

    DEFF Research Database (Denmark)

    Schrøder, Sidsel Dahl

    and 1,4-diaminobutane). Experimentally, the hydrogen bonds have been studied with vibrational spectroscopy in the infrared and near-infrared regions. The focus is primarily on spectra recorded in the near-infrared regions, which in these studies are dominated by O-H and N-H stretching overtones....... Overtone spectra have been recorded with intracavity laser photoacoustic laser spectroscopy and conventional long path absorption spectroscopy. Theoretically, a combination of electronic structure calculations and local mode models have been employed to guide the assignment of bands in the vibrational......,4-diaminobutane, no sign of intramolecular N-H···N hydrogen bonds were identified in the overtone spectra. However, theoretical analyzes indicate that intramolecular N-H···N hydrogen bonds are present in all three diamines if two hydrogen atoms on one of the methylene groups are substituted with triuoromethyl...

  4. [Near-infrared Raman spectroscopy for diagnosis of gastric cancer].

    Science.gov (United States)

    Jin, Shaoqin; Mao, Hua

    2014-03-01

    To establish a method for early diagnosis of gastric cancer using near-infrared Raman spectroscopy. A rapid near-infrared Raman system was used to examine the tissue specimens of pathologically confirmed gastric cancer (33 cases), gastric precancerous lesions (27 cases), and normal gastric mucosa (45 cases). All the specimens were obtained from 105 patients undergoing gastrectomy or endoscopic biopsy of suspected gastric lesions. High-quality Raman spectra ranging from 700 to 1800 cm(-1) were acquired from the gastric tissues within 5 s. The distribution pattern of Raman spectra in gastric cancer differed significantly from those of gastric precancerous lesions and normal gastric mucosa, particularly in the spectral ranges of 853 cm(-1), 936 cm(-1), 1003 cm(-1), 1032 cm(-1), 1174 cm(-1), 1208 cm(-1), 1323 cm(-1), 1335 cm(-1), 1450 cm(-1), and 1655 cm(-1), which contained signals related to proteins, nucleic acids and lipids. The diagnostic decision algorithm based on the Raman peak intensity ratios of I1003/ I1337, I1003/I1445, I1003/I1655, and I1156/I1655 yielded remarkable differences in gastric cancer from gastric precancerous lesions and normal gastric mucosa, and the ratios were significantly higher in normal gastric tissues (Pinfrared Raman spectroscopy using PCA-LDA algorithms associated with leave- one-out and cross-validation method showed diagnostic sensitivities of 81.5%, 85.3%, and 100%, and specificities of 86.4%, 100%, and 97.4% for normal gastric mucosa, precancerous lesions and gastric cancer, respectively. near-infrared Raman spectroscopy in conjunction with intensity ratio algorithms shows the potential for noninvasive diagnosis and detection of gastric malignancy at the molecular level.

  5. Dose detection of radiated rice by infrared spectroscopy and chemometrics.

    Science.gov (United States)

    Shao, Yongni; He, Yong; Wu, Changqing

    2008-06-11

    Infrared spectroscopy based on sensitive wavelengths (SWs) and chemometrics was proposed to discriminate the nine different radiation doses (0, 250, 500, 750, 1000, 1500, 2000, 2500, and 3000 Gy) of rice. Samples ( n = 16 each dose) were selected randomly for the calibration set, and the remaining 36 samples ( n = 4 each dose) were selected for the prediction set. Partial least-squares (PLS) analysis and least-squares-support vector machine (LS-SVM) were implemented for calibration models. PLS analysis was implemented for calibration models with different wavelength bands including near-infrared (NIR) regions and mid-infrared (MIR) regions. The best PLS models were achieved in the MIR (400-4000 cm (-1)) region. Furthermore, different latent variables (5-9 LVs) were used as inputs of LS-SVM to develop the LV-LS-SVM models with a grid search technique and radial basis function (RBF) kernel. The optimal models were achieved with six LVs, and they outperformed PLS models. Moreover, independent component analysis (ICA) was executed to select several SWs based on loading weights. The optimal LS-SVM model was achieved with SWs (756, 895, 1140, and 2980 cm (-1)) selected by ICA and had better performance than PLS and LV-LS-SVM with the parameters of correlation coefficient ( r), root-mean-square error of prediction, and bias of 0.996, 80.260, and 5.172 x 10 (-4), respectively. The overall results indicted that the ICA was an effective way for the selection of SWs, and infrared spectroscopy combined with LS-SVM models had the capability to predict the different radiation doses of rice.

  6. Development of infrared spectroscopy techniques for environmental monitoring

    Energy Technology Data Exchange (ETDEWEB)

    Sandsten, Jonas

    2000-08-01

    Infrared spectroscopy techniques have long been utilized in identifying and quantifying species of interest to us. Many of the elementary molecules in the atmosphere interact with infrared radiation through their ability to absorb and emit energy in vibrational and rotational transitions. A large variety of methods for monitoring of molecules and aerosol particles by collecting samples or by using remote sensing methods are available. The objective of the work presented in this thesis was to develop infrared spectroscopic techniques to further enhance the amount of useful information obtained from gathering spectral data. A new method for visualization and quantification of gas flows based on gas-correlation techniques was developed. Real-time imaging of gas leaks and incomplete or erratic flare combustion of ethene was demonstrated. The method relies on the thermal background as a radiation source and the gas can be visualized in absorption or in emission depending on the temperature difference. Diode laser spectroscopy was utilized to monitor three molecular species at the same time and over the same path. Two near-infrared diode lasers beams were combined in a periodically poled lithium niobate crystal and by difference-frequency generation a third beam was created, enabling simultaneous monitoring of oxygen, water vapor and methane. Models of aerosol particle cross sections were used to simulate the diffraction pattern of light scattered by fibers, spherical particles and real particles, such as pollen, through a new aerosol particle sensing prototype. The instrument, using a coupled cavity diode laser, has been designed with a ray-tracing program and the final prototype was employed for single aerosol particle sizing and identification.

  7. Species authentication and geographical origin discrimination of herbal medicines by near infrared spectroscopy: A review

    OpenAIRE

    Wang, Pei; Yu, Zhiguo

    2015-01-01

    Near infrared (NIR) spectroscopy as a rapid and nondestructive analytical technique, integrated with chemometrics, is a powerful process analytical tool for the pharmaceutical industry and is becoming an attractive complementary technique for herbal medicine analysis. This review mainly focuses on the recent applications of NIR spectroscopy in species authentication of herbal medicines and their geographical origin discrimination. Keywords: Near infrared spectroscopy, Herbal medicine, Species...

  8. NIRS - Near infrared spectroscopy - investigations in neurovascular diseases

    DEFF Research Database (Denmark)

    Schytz, Henrik Winther

    2015-01-01

    The purpose of this thesis was to explore and develop methods, where continuous wave near infrared spectroscopy (CW-NIRS) can be applied in different neurovascular diseases, in order to find biological markers that are useful in clinical neurology. To develop a new method to detect changes...... to sympathetic activity was investigated in obstructive sleep apnoea (OSA) patients, who have increased sympathetic activity and risk of stroke. Following successful continuous positive airway pressure (CPAP) therapy, OSA patients decreased their LFOs amplitude, which was interpreted as a marker of decreased...

  9. Near-infrared spectroscopy. Innovative technology summary report

    International Nuclear Information System (INIS)

    1999-07-01

    A near-infrared (NIR) spectroscopy system with a remote fiber-optic probe was developed and demonstrated to measure the water content of high-level radioactive wastes from the underground storage tanks at the Hanford Site in richland Washington. The technology was developed as a cost-effective and safer alternative to the thermogravimetric analysis (TGA) technique in use as the baseline. This work was supported by the Tanks Focus Area (TFA) within the Department of Energy's (DOE) Office of Science and Technology (OST) in cooperation with the Hanford Tank Waste Remediation System (TWRS) Program

  10. [Application of near infrared spectroscopy in analysis of wood properties].

    Science.gov (United States)

    Yao, Sheng; Pu, Jun-wen

    2009-04-01

    There is substantial interest in the improvement of wood properties through genetic selection or a change in silviculture prescription. Tree breeding purpose requires measurement of a large number of samples. However, traditional methods of assessing wood properties are both time consuming and destructive, limiting the numbers of samples that can be processed, so new method would be needed to find. Near infrared spectroscopy (NIR) is an advanced spectroscopic tool for nondestructive evaluation of wood and it can quickly, accurately estimate the properties of increment core, solid wood or wood meal. The present paper reviews the advances in the research on the wood chemistry properties and anatomical properties using NIR.

  11. Optical characterization of semiconductors infrared, Raman, and photoluminescence spectroscopy

    CERN Document Server

    Perkowitz, Sidney

    1993-01-01

    This is the first book to explain, illustrate, and compare the most widely used methods in optics: photoluminescence, infrared spectroscopy, and Raman scattering. Written with non-experts in mind, the book develops the background needed to understand the why and how of each technique, but does not require special knowledge of semiconductors or optics. Each method is illustrated with numerous case studies. Practical information drawn from the authors experience is given to help establish optical facilities, including commercial sources for equipment, and experimental details. For industrial sci

  12. Photothermal Infrared Spectroscopy of Airborne Samples with Mechanical String Resonators

    DEFF Research Database (Denmark)

    Yamada, Shoko; Schmid, Silvan; Larsen, Tom

    2013-01-01

    -scale airborne samples. Airborne sample material is directly collected on the microstring with an efficient nondiffusion limited sampling method based on inertial impaction. Resonance frequency shifts, proportional to the absorbed heat in the microstring, are recorded as monochromatic IR light is scanned over...... the mid-infrared range. As a proof-of-concept, we sample and analyze polyvinylpyrrolidone (PVP) and the IR spectrum measured by photothermal spectroscopy matches the reference IR spectrum measured by an FTIR spectrometer. We further identify the organic surface coating of airborne TiO2 nanoparticles...

  13. Fourier Transform Infrared Spectroscopy of Trifluoroiodomethane ICP Discharge

    Science.gov (United States)

    Fagioli, Cassius; Urrabazo, David; Goeckner, Matthew

    2012-10-01

    Trifluoroiodomethane (CF3I) is an experimental gas that currently is being considered for semiconductor etching. We will report the breakdown characteristics of CF3I in an ICP plasma. In this study, the gas chemistry was examined through the use of Fourier transform infrared (FTIR) spectroscopy. This allowed us to identify the fraction of CF3I remaining in the discharge as well as some of the daughter species produced. Our results indicate that the major multi-atomic species found in the system include Tetrafluoromethane (CF4) and Trifluoromethyl (CF3). Mass balance examination also suggests the creation of atomic and molecular Iodide.

  14. Near infrared spectroscopy in the development of solid dosage forms.

    Science.gov (United States)

    Räsänen, Eetu; Sandler, Niklas

    2007-02-01

    The use of near infrared (NIR) spectroscopy has rapidly grown partly due to demands of process analytical applications in the pharmaceutical industry. Furthermore, newest regulatory guidelines have advanced the increase of the use of NIR technologies. The non-destructive and non-invasive nature of measurements makes NIR a powerful tool in characterization of pharmaceutical solids. These benefits among others often make NIR advantageous over traditional analytical methods. However, in addition to NIR, a wide variety of other tools are naturally also available for analysis in pharmaceutical development and manufacturing, and those can often be more suitable for a given application. The versatility and rapidness of NIR will ensure its contribution to increased process understanding, better process control and improved quality of drug products. This review concentrates on the use of NIR spectroscopy from a process research perspective and highlights recent applications in the field.

  15. Two-dimensional infrared spectroscopy of vibrational polaritons.

    Science.gov (United States)

    Xiang, Bo; Ribeiro, Raphael F; Dunkelberger, Adam D; Wang, Jiaxi; Li, Yingmin; Simpkins, Blake S; Owrutsky, Jeffrey C; Yuen-Zhou, Joel; Xiong, Wei

    2018-04-19

    We report experimental 2D infrared (2D IR) spectra of coherent light-matter excitations--molecular vibrational polaritons. The application of advanced 2D IR spectroscopy to vibrational polaritons challenges and advances our understanding in both fields. First, the 2D IR spectra of polaritons differ drastically from free uncoupled excitations and a new interpretation is needed. Second, 2D IR uniquely resolves excitation of hybrid light-matter polaritons and unexpected dark states in a state-selective manner, revealing otherwise hidden interactions between them. Moreover, 2D IR signals highlight the impact of molecular anharmonicities which are applicable to virtually all molecular systems. A quantum-mechanical model is developed which incorporates both nuclear and electrical anharmonicities and provides the basis for interpreting this class of 2D IR spectra. This work lays the foundation for investigating phenomena of nonlinear photonics and chemistry of molecular vibrational polaritons which cannot be probed with traditional linear spectroscopy.

  16. Gum Arabic authentication and mixture quantification by near infrared spectroscopy

    DEFF Research Database (Denmark)

    Dong, Yongjiang; Sørensen, Klavs Martin; He, Sailing

    2017-01-01

    A rapid and reliable method is developed for Gum Arabic authentication based on Near Infrared (NIR) spectroscopy and chemometric methods. On a large industrial collection of authentic gum Arabics, the two major Acacia gum species, Acacia senegal and Acacia seyal could be assigned perfectly...... by the NIR spectroscopic method. In addition, a partial least squares (PLS) regression model is calibrated to predict the blending percentage of the two pure gum types, producing an accuracy, root mean square error of cross validation (RMSECV) of 2.8%. Sampling of the Gum Arabic ‘tears’ is discussed......, and it was determined that subsamples from three ‘tears’ is required for a representative result. It is concluded that NIR spectroscopy is a very powerful and reliable method for authenticity testing of Gum Arabic species....

  17. Predicting rapeseed oil content with near-infrared spectroscopy

    Directory of Open Access Journals (Sweden)

    Roberta Rossato

    2013-12-01

    Full Text Available The objective of this work was to establish a calibration equation and to estimate the efficiency of near-infrared reflectance (NIR spectroscopy for evaluating rapeseed oil content in Southern Brazil. Spectral data from 124 half-sib families were correlated with oil contents determined by the chemical method. The accuracy of the equation was verified by coefficient of determination (R² of 0.92, error of calibration (SEC of 0.78, and error of performance (SEP of 1.22. The oil content of ten genotypes, which were not included in the calibration with NIR, was similar to the one obtained by the standard chemical method. NIR spectroscopy is adequate to differentiate oil content of rapeseed genotypes.

  18. Near-infrared laboratory spectroscopy of mineral chemistry: A review

    Science.gov (United States)

    Meer, Freek van der

    2018-03-01

    Spectroscopy is the science concerned with the investigation and measurement of spectra produced when materials interacts with or emits electromagnetic radiation. Commercial infrared spectrometer were designed from the 1950's onward and found their way into the pharmaceutical and chemical industries. In the 1970's and 1980's also natural sciences notably mineralogy and vegetation science started systematically to measure optical properties of leaves and minerals/rocks with spectrometers. In the last decade spectroscopy has made the step from qualitative observations of mineral classes, soil type and vegetation biomass to quantitative estimates of mineral, soil and vegetation chemistry. This resulted in geothermometers used to characterize metamorphic and hydrothermal systems and to the advent of foliar biochemistry. More research is still needed to bridge the gap between laboratory spectroscopy and field spectroscopy. Empirical studies of minerals either as soil or rock constituents (and vegetation parameters) derived from regression analysis of spectra against chemistry is important in understanding the physics of the interaction of electromagnetic radiation and matter which in turn is important in the design of future satellite missions. Physics based models and retrievals are needed to operationalize these relationships and implement them in future earth observation missions as these are more robust and easy to transfer to other areas and data sets.

  19. Differentiation and quality estimation of Cordyceps with infrared spectroscopy

    Science.gov (United States)

    Yang, Ping; Song, Ping; Sun, Su-Qin; Zhou, Qun; Feng, Shu; Tao, Jia-Xun

    2009-11-01

    Heretofore, a scientific and systemic method for differentiation and quality estimation of a well-known Chinese traditional medicine, 'Cordyceps', has not been established in modern market. In this paper, Fourier-transform infrared spectroscopy (FTIR) and two-dimensional correlation infrared spectroscopy (2D-IR) are employed to propose a method for analysis of Cordyceps. It has presented that IR spectra of real Cordyceps of different origins and counterfeits have their own macroscopic fingerprints, with discriminated shapes, positions and intensities. Their secondary derivative spectra can amplify the differences and confirm the potentially characteristic IR absorption bands 1400-1700 cm -1 to be investigated in 2D-IR. Many characteristic fingerprints are discovered in 2D-IR spectra in the range of 1400-1700 cm -1 and hetero 2D spectra of 670-780 cm -1 × 1400-1700 cm -1. The different fingerprints display different chemical constitutes. Through the three steps, different Cordyceps and their counterfeits can be discriminated effectively and their qualities distinctly display. Successful analysis of eight Cordyceps capsule products has proved the practicability of the method, which can also be applied to the quality estimation of other Chinese traditional medicines.

  20. Nanoscale Optical Imaging and Spectroscopy from Visible to Mid-Infrared

    Science.gov (United States)

    2015-11-13

    Nanoscale Optical Imaging and Spectroscopy from Visible to Mid-infrared The PIs completed the acquisition of a nanoscale optical imaging and...of Papers published in non peer-reviewed journals: Final Report: Nanoscale Optical Imaging and Spectroscopy from Visible to Mid-infrared Report Title... spectroscopy system with extremely broad spectral capability spanning the ultraviolet to the near-infrared. The equipment provides new capabilities of

  1. Fringes in FTIR spectroscopy revisited: understanding and modelling fringes in infrared spectroscopy of thin films.

    Science.gov (United States)

    Konevskikh, Tatiana; Ponossov, Arkadi; Blümel, Reinhold; Lukacs, Rozalia; Kohler, Achim

    2015-06-21

    The appearance of fringes in the infrared spectroscopy of thin films seriously hinders the interpretation of chemical bands because fringes change the relative peak heights of chemical spectral bands. Thus, for the correct interpretation of chemical absorption bands, physical properties need to be separated from chemical characteristics. In the paper at hand we revisit the theory of the scattering of infrared radiation at thin absorbing films. Although, in general, scattering and absorption are connected by a complex refractive index, we show that for the scattering of infrared radiation at thin biological films, fringes and chemical absorbance can in good approximation be treated as additive. We further introduce a model-based pre-processing technique for separating fringes from chemical absorbance by extended multiplicative signal correction (EMSC). The technique is validated by simulated and experimental FTIR spectra. It is further shown that EMSC, as opposed to other suggested filtering methods for the removal of fringes, does not remove information related to chemical absorption.

  2. Infrared spectroscopy as a screening technique for colitis

    Science.gov (United States)

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

    2017-05-01

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

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

    Science.gov (United States)

    Perkins, W. D.

    1987-01-01

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

  4. Monitoring osteoarthritis progression using near infrared (NIR) spectroscopy.

    Science.gov (United States)

    Afara, Isaac O; Prasadam, Indira; Arabshahi, Zohreh; Xiao, Yin; Oloyede, Adekunle

    2017-09-13

    We demonstrate in this study the potential of near infrared (NIR) spectroscopy as a tool for monitoring progression of cartilage degeneration in an animal model. Osteoarthritic degeneration was artificially induced in one joint in laboratory rats, and the animals were sacrificed at four time points: 1, 2, 4, and 6 weeks (3 animals/week). NIR spectra were acquired from both (injured and intact) knees. Subsequently, the joint samples were subjected to histological evaluation and glycosaminoglycan (GAG) content analysis, to assess disease severity based on the Mankin scoring system and to determine proteoglycan loss, respectively. Multivariate spectral techniques were then employed for classification (principal component analysis and support vector machines) and prediction (partial least squares regression) of the samples' Mankin scores and GAG content from their NIR spectra. Our results demonstrate that NIR spectroscopy is sensitive to degenerative changes in articular cartilage, and is capable of distinguishing between mild (weeks 1&2; Mankin 3) cartilage degeneration. In addition, the spectral data contains information that enables estimation of the tissue's Mankin score (error = 12.6%, R 2  = 86.2%) and GAG content (error = 7.6%, R 2  = 95%). We conclude that NIR spectroscopy is a viable tool for assessing cartilage degeneration post-injury, such as, post-traumatic osteoarthritis.

  5. Potential of Raman and Infrared Spectroscopy for Plant Analysis

    Science.gov (United States)

    Schulz, H.

    2008-11-01

    Various mid-infrared (MIR) and Raman spectroscopic methods applied to the analysis of valuable plant substances or quality parameters in selected horticultural and agricultural crops are presented. Generally, both spectroscopy techniques allow to identify simultaneously characteristic key bands of individual plant components (e.g. carotenoids, alkaloids, polyacetylenes, fatty acids, amino acids, terpenoids). In contrast to MIR methods Raman spectroscopy mostly does not need any sample pre-treatment; even fresh plant material can be analysed without difficulty because water shows only weak Raman scattering properties. In some cases a significant sensivity enhancement of Raman signals can be achieved if the exciting laser wavelength is adjusted to the absorption range of particular plant chromophores such as carotenoids (Resonance Raman effect). Applying FT-IR or FT Raman micro-spectroscopy the distribution of certain plant constituents in the cell wall can be identified without the need for any physical separation. Furthermore it is also possible to analyse secondary metabolites occurring in the cell vacuoles if significant key bands do not coincide with the spectral background of the plant matrix.

  6. Assessment of Polysaccharides from Mycelia of genus Ganoderma by Mid-Infrared and Near-Infrared Spectroscopy.

    Science.gov (United States)

    Ma, Yuhan; He, Huaqi; Wu, Jingzhu; Wang, Chunyang; Chao, Kuanglin; Huang, Qing

    2018-01-08

    Ganoderma lingzhi (G. lingzhi), G. sinense, G. applanatum, etc. belongs to the Ganoderma genus of polypore mushrooms which contain rich polysaccharides valuable for nutrition and positive medicinal effects. In order to evaluate polysaccharide content in Ganoderma mycelia obtained in the fermentation process quickly and accurately, in this work we employed infrared spectroscopy to examine different Ganoderma stains of samples from diversified sources. Through mid-infrared (mid-IR) spectroscopy, we could identify the most relevant spectral bands required for polysaccharide evaluation, and through near-infrared (NIR) spectroscopy, we could establish the quantification model for making satisfactory prediction of polysaccharide ingredient content. As such, we have achieved an effective and convenient approach to quantitative assessment of the total polysaccharides in Ganoderma mycelia but also demonstrated that infrared spectroscopy can be a powerful tool for quality control of Ganoderma polysaccharides obtained from industrial production.

  7. Near infrared spectroscopy in animal science production: principles and applications

    Directory of Open Access Journals (Sweden)

    Roberto Riovanto

    2010-01-01

    Full Text Available Near infrared (NIR is one of the techniques belonging to vibrational spectroscopy. Its radiation (750 to 2500nm interacts with organic matter, and the absorption spectrum is rich in chemical and physical information of organic molecules. In order to extract valuable information on the chemical properties of samples, it is necessary to mathematically process spectral data by chemometric tools. The most important part in the development of an NIR method is building the predicting model generally called calibration. NIR spectroscopy has several advantages over other analytical techniques: rapidity of analysis, no use of chemicals, minimal or no samples preparation, easily applicable in different work environments (on/in/at line applications. On the other hand, NIR spectroscopy has some disadvantages: low ability to predict compounds at low concentration (<0.1%, necessity of accurate analysis as reference, development of calibration models required high trained personnel, need of a large and up-to-date calibration data set (often difficult to obtain, difficulties to transfer calibration among instruments, initial high financial investments. In the feed industry, NIR spectroscopy is used for: feed composition, digestibility (in vivo, in vitro, in situ, traceability assessment (to avoid possible frauds. As far as animal products are concerned, NIR spectroscopy has been used to determine the main composition of meat, milk, fish, cheese, eggs. Furthermore, it was also used to predict some physical properties (tenderness, WHC (Water Holding Capacity, drip loss, colour and pH in meat; coagulation ability in milk; freshness, flavour and other sensorial parameters in cheese. Interesting applications of NIR spectroscopy regard issues like: determination of animal products’ authenticity and the detection of adulteration (in order to prevent frauds, discrimination PDO (Protected Designation of Origin and PGI (Protected Geographical Indication from other non

  8. Discrimination of different Chrysanthemums with Fourier transform infrared spectroscopy

    Science.gov (United States)

    Liu, Hong-xia; Zhou, Qun; Sun, Su-qin; Bao, Hong-juan

    2008-07-01

    Use Fourier transform infrared spectroscopy (FT-IR) to analyze simultaneously the main chemical constituents in different solvent extracts of seven kinds of Chrysanthemum samples of different regions. The findings indicate that different Chrysanthemum samples have dissimilar fingerprint characters in FT-IR spectra. Such spectral technique can provide substance structural information of the complicated test samples. According to these spectral fingerprint features, we cannot only identify the main components of different extracts, but also distinguish the origins of the Chrysanthemum samples from different regions easily, which is a troublesome work by existing analytical methods. FT-IR, with the characters of speediness, good repeatability and easy operation, can be used as an effective analytical means to study the complicated system, in our research, the tradition Chinese medicines.

  9. Functional Near Infrared Spectroscopy: Watching the Brain in Flight

    Science.gov (United States)

    Harrivel, Angela; Hearn, Tristan A.

    2012-01-01

    Functional Near Infrared Spectroscopy (fNIRS) is an emerging neurological sensing technique applicable to optimizing human performance in transportation operations, such as commercial aviation. Cognitive state can be determined via pattern classification of functional activations measured with fNIRS. Operational application calls for further development of algorithms and filters for dynamic artifact removal. The concept of using the frequency domain phase shift signal to tune a Kalman filter is introduced to improve the quality of fNIRS signals in real-time. Hemoglobin concentration and phase shift traces were simulated for four different types of motion artifact to demonstrate the filter. Unwanted signal was reduced by at least 43%, and the contrast of the filtered oxygenated hemoglobin signal was increased by more than 100% overall. This filtering method is a good candidate for qualifying fNIRS signals in real time without auxiliary sensors.

  10. Brain plasticity and rehabilitation by using Near-Infrared Spectroscopy

    Directory of Open Access Journals (Sweden)

    Balconi Michela

    2016-04-01

    Full Text Available The present review elucidated the use of optical imaging technique (Near-Infrared Spectroscopy, NIRS to better explain the brain plasticity for learning mechanisms, rehabilitation and post-traumatic brain recovery. Some recent applications were discussed, with specific focus on the usability of integrated measures (such as electroencephalography, EEG-NIRS; Transcranial Magnet Stimulation, TMS-NIRS to study plasticity and its dynamic effects. NIRS-Neurofeedback and NIRS-BCI (Brain Computer Interface were also explored as possible tools to produce a specific long-lasting learning in relationship with a specific cognitive domain. Finally a proficient domain where NIRS was found to be useful to test neuroplasticity is the interpersonal brain-to-brain coupling, termed “hyperscanning”, a new emerging paradigm in neuroscience which measures brain activity from two or more people simultaneously.

  11. Infrared spectroscopy of self-assembled monolayer films on silicon

    Science.gov (United States)

    Rowell, N. L.; Tay, Lilin; Boukherroub, R.; Lockwood, D. J.

    2007-07-01

    Infrared vibrational spectroscopy in an attenuated total reflection (ATR) geometry has been employed to investigate the presence of organic thin layers on Si-wafer surfaces. The phenomena have been simulated to show there can be a field enhancement with the presented single-reflection ATR (SR-ATR) approach which is substantially larger than for conventional ATR or specular reflection. In SR-ATR, a discontinuity of the field normal to the film contributes a field enhancement in the lower index thin film causing a two order of magnitude increase in sensitivity. SR-ATR was employed to characterize a single monolayer of undecylenic acid self-assembled on Si(1 1 1) and to investigate a two monolayer system obtained by adding a monolayer of bovine serum albumin protein.

  12. 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 plipids 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.

  13. Robust infrared filters for X-ray spectroscopy

    International Nuclear Information System (INIS)

    Miller, N.A.; Ullom, J.N.; Beall, J.A.; Hilton, G.C.; Deiker, S.; Doriese, W.B.; Irwin, K.D.; Reintsema, C.D.; Vale, L.R.; Xu, Y.

    2004-01-01

    One challenge to using cryogenic detectors for X-ray spectroscopy on a scanning electron microscope is the implementation of infrared blocking filters. In order to achieve high X-ray transmission, these filters can be as thin as 250 nm and consequently are extremely fragile. To avoid breaking the filters, the cryostat must be evacuated slowly and by a trained operator. In this presentation, we describe the filter system currently used at NIST. In addition, we describe recent efforts to build a more robust and easy-to-use filter system. We present initial efforts to strengthen conventional aluminum-parylene filters with micromachined silicon grids that only reduce X-ray transmission by 2%. We also describe an automated pump-out system based on a commercial mass-flow controller

  14. Moisture determination in hygroscopic drug substances by near infrared spectroscopy.

    Science.gov (United States)

    Zhou, X; Hines, P; Borer, M W

    1998-06-01

    The moisture level in a hygroscopic drug substance was successfully determined by near infrared spectroscopy using coulometric Karl Fischer titration as the reference method. The importance of sample handling and proper application of the reference technique are stressed for this difficult sample type. Samples were prepared with moisture levels from 0.5 to 11.4% (w/w) and reflectance spectra were collected over the spectral range 1100-2500 nm. Calibration models were built using partial least squares (PLS) regression analysis. Optimum models were found by choosing proper spectral ranges and number of PLS factors. The best calibration models were built using first derivative spectra, a spectral range of 1850-1936 nm and 5 PLS factors. The corresponding standard error of prediction was 0.11% (w/w) water.

  15. Qualitative and quantitative analysis of lignocellulosic biomass using infrared spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Adapa, P.K.; Tabil, L.G. [Saskatchewan Univ., Saskatoon, SK (Canada). Dept. of Agricultural and Bioresource Engineering; Karunakaran, C. [Saskatchewan Univ., Saskatoon, SK (Canada). Canadian Light Source; Schoenau, G.J. [Saskatchewan Univ., Saskatoon, SK (Canada). Dept. of Mechanical Engineering

    2009-07-01

    Agricultural biomass or lignocellulosic residues such as barley, canola, oat and wheat straw have the potential to be used as feedstock for the biofuel industry. Low bulk density straw has to be processed and densified after harvest in order to facilitate efficient handling and transportation, and realize any potential economic benefits. Preliminary predictive models were developed to calculate the quantity of lignocellulosic components (cellulose, hemicelluloses and lignin) of agricultural biomass (barley, canola, oat and wheat straw) by using Fourier transform infrared spectroscopy (FT-IR). It was important to estimate critical parameters through analytical specification of lignocellulosic biomass and consequently the development and validation of a procedure for the qualitative and quantitative analysis of cellulose-hemicellulose-lignin composition. The paper discussed the materials and methods, including sample material preparation; reference material preparation; measured data; FT-IR equipment; and quantitative analysis. 54 refs., 5 tabs., 10 figs.

  16. Functional near-infrared spectroscopy studies in children

    Directory of Open Access Journals (Sweden)

    Nagamitsu Shinichiro

    2012-03-01

    Full Text Available Abstract Psychosomatic and developmental behavioral medicine in pediatrics has been the subject of significant recent attention, with infants, school-age children, and adolescents frequently presenting with psychosomatic, behavioral, and psychiatric symptoms. These may be a consequence of insecurity of attachment, reduced self-confidence, and peer -relationship conflicts during their developmental stages. Developmental cognitive neuroscience has revealed significant associations between specific brain lesions and particular cognitive dysfunctions. Thus, identifying the biological deficits underlying such cognitive dysfunction may provide new insights into therapeutic prospects for the management of those symptoms in children. Recent advances in noninvasive neuroimaging techniques, and especially functional near-infrared spectroscopy (NIRS, have contributed significant findings to the field of developmental cognitive neuroscience in pediatrics. We present here a comprehensive review of functional NIRS studies of children who have developed normally and of children with psychosomatic and behavioral disorders.

  17. Near-infrared spectroscopy for monitoring muscle oxygenation

    DEFF Research Database (Denmark)

    Boushel, Robert Christopher; Piantadosi, C A

    2000-01-01

    Near-infrared spectroscopy (NIRS) is a non-invasive method for monitoring oxygen availability and utilization by the tissues. In intact skeletal muscle, NIRS allows semi-quantitative measurements of haemoglobin plus myoglobin oxygenation (tissue O2 stores) and the haemoglobin volume. Specialized...... algorithms allow assessment of the oxidation-reduction (redox) state of the copper moiety (CuA) of mitochondrial cytochrome c oxidase and, with the use of specific tracers, accurate assessment of regional blood flow. NIRS has demonstrated utility for monitoring changes in muscle oxygenation and blood flow...... during submaximal and maximal exercise and under pathophysiological conditions including cardiovascular disease and sepsis. During work, the extent to which skeletal muscles deoxygenate varies according to the type of muscle, type of exercise and blood flow response. In some instances, a strong...

  18. Infrared spectroscopy and microscopy in cancer research and diagnosis

    Science.gov (United States)

    Bellisola, Giuseppe; Sorio, Claudio

    2012-01-01

    Since the middle of 20th century infrared (IR) spectroscopy coupled to microscopy (IR microspectroscopy) has been recognized as a non destructive, label free, highly sensitive and specific analytical method with many potential useful applications in different fields of biomedical research and in particular cancer research and diagnosis. Although many technological improvements have been made to facilitate biomedical applications of this powerful analytical technique, it has not yet properly come into the scientific background of many potential end users. Therefore, to achieve those fundamental objectives an interdisciplinary approach is needed with basic scientists, spectroscopists, biologists and clinicians who must effectively communicate and understand each other's requirements and challenges. In this review we aim at illustrating some principles of Fourier transform (FT) Infrared (IR) vibrational spectroscopy and microscopy (microFT-IR) as a useful method to interrogate molecules in specimen by mid-IR radiation. Penetrating into basics of molecular vibrations might help us to understand whether, when and how complementary information obtained by microFT-IR could become useful in our research and/or diagnostic activities. MicroFT-IR techniques allowing to acquire information about the molecular composition and structure of a sample within a micrometric scale in a matter of seconds will be illustrated as well as some limitations will be discussed. How biochemical, structural, and dynamical information about the systems can be obtained by bench top microFT-IR instrumentation will be also presented together with some methods to treat and interpret IR spectral data and applicative examples. The mid-IR absorbance spectrum is one of the most information-rich and concise way to represent the whole “… omics” of a cell and, as such, fits all the characteristics for the development of a clinically useful biomarker. PMID:22206042

  19. Determination of quercetins in onion (Allium cepa) using infrared spectroscopy.

    Science.gov (United States)

    Lu, Xiaonan; Ross, Carolyn F; Powers, Joseph R; Rasco, Barbara A

    2011-06-22

    The rapid quantification of flavonoid compounds in onions by attenuated total reflectance (ATR) Fourier transform infrared (FT-IR) spectroscopy combined with multivariate analysis was evaluated as a possible alternative to high-performance liquid chromatography (HPLC) analysis. Quercetin content in onion varieties (yellow, red, and sweet) was quantified using ATR FT-IR (4000 to 400 cm⁻¹) spectroscopy and HPLC methods. Quercetin-3,4'-O-diglucoside (3,4'-Qdg) and quercetin-4'-O-glucoside (4'-Qmg) comprised >80% of the total flavonol content detected in the studied varieties. The quercetin compounds (3,4'-Qdg and 4'-Qmg) and total flavonol conjugates were quantified by HPLC, and results correlated closely with ATR-IR values (R > 0.95). Cross-validated (leave-one-out) partial least-squares regression (PLSR) models successfully predicted concentrations of these quercetins. The standard errors of cross-validation (SECV) of 3,4'-Qdg and 4'-Qmg, total quercetin, and total flavonol contents of onions were 20.43, 21.18, and 21.02 mg/kg fresh weight, respectively. In addition, supervised and unsupervised segregation analyses (principal component analysis, discriminant function analysis, and soft independent modeling of class analogue) were performed to classify onion varieties on the basis of unique infrared spectral features. There was a high degree of segregation (interclass distances > 3.0) for the different types of onion. This study indicated that the IR technique could predict 3,4'-Qdg, 4'-Qmg, total quercetin, and total flavonol contents and has advantages over the traditional HPLC method in providing a valid, efficient, and cost-effective method requiring less sample preparation for the quantification of quercetins in onion.

  20. Near infrared spectroscopy for qualitative comparison of pharmaceutical batches.

    Science.gov (United States)

    Roggo, Y; Roeseler, C; Ulmschneider, M

    2004-11-19

    Pharmaceuticals are produced according to current pharmacopoeias, which require quality parameters. Tablets of identical formulation, produced by different factories should have the same properties before and after storage. In this article, we analyzed samples having two different origins before and after storage (30 degrees C, 75% relative moisture). The aim of the study is to propose two approaches to understand the differences between origins and the storage effect by near infrared spectroscopy. In the first part, the main wavelengths are identified in transmittance and reflectance near infrared spectra in order to identify the major differences between the samples. In this paper, this approach is called fingerprinting. In the second part, principal component analysis (PCA) is computed to confirm the fingerprinting interpretation. The two interpretations show the differences between batches: physical aspect and moisture content. The manufacturing process is responsible for the physical differences between batches. During the storage, changes are due to the increase of moisture content and the decrease of the active content.

  1. Optimal hemodynamic response model for functional near-infrared spectroscopy

    Directory of Open Access Journals (Sweden)

    Muhammad Ahmad Kamran

    2015-06-01

    Full Text Available Functional near-infrared spectroscopy (fNIRS is an emerging non-invasive brain imaging technique and measures brain activities by means of near-infrared light of 650-950 nm wavelengths. The cortical hemodynamic response (HR differs in attributes at different brain regions and on repetition of trials, even if the experimental paradigm is kept exactly the same. Therefore, an HR model that can estimate such variations in the response is the objective of this research. The canonical hemodynamic response function (cHRF is modeled by using two Gamma functions with six unknown parameters. The HRF model is supposed to be linear combination of HRF, baseline and physiological noises (amplitudes and frequencies of physiological noises are supposed to be unknown. An objective function is developed as a square of the residuals with constraints on twelve free parameters. The formulated problem is solved by using an iterative optimization algorithm to estimate the unknown parameters in the model. Inter-subject variations in HRF and physiological noises have been estimated for better cortical functional maps. The accuracy of the algorithm has been verified using ten real and fifteen simulated data sets. Ten healthy subjects participated in the experiment and their HRF for finger-tapping tasks have been estimated and analyzed. The statistical significance of the estimated activity strength parameters has been verified by employing statistical analysis, i.e., (t-value >tcritical and p-value < 0.05.

  2. Remote detection of organics using Fourier transform infrared spectroscopy

    International Nuclear Information System (INIS)

    Demirgian, J.C.; Spurgash, S.M.

    1990-01-01

    Fourier transform infrared (FTIR) spectroscopy is an ideal technique for remote detection of organic emissions. There is an atmospheric window in the 1200 to 800 cm -1 region, which corresponds to the ''fingerprint'' region for organic molecules. Virtually all organic molecules have a unique absorption/emission pattern in the fingerprint region. A remote-passive FTIR relies on ambient emission of infrared energy from organics to obtain spectra. The instrumentation consists of inlet optics, and interferometer, a mercury cadmium telluride (MCT) detector, and an on-board computer. The transportable unit measures 40 cm by 50 cm and has been used to collect data while mounted on a helicopter or ground vehicle. Through the use of this FTIR combined with least squares software, it is possible to analyze qualitatively and quantitatively for organic vapors from either the air or ground. The data presented will include quantitative releases of common organics present in incinerator stacks, hazardous wastes, and illegal laboratories. Data will be presented for pure compounds, mixtures, and target analytes in the presence of interfering compounds. The sensitivity, reproducibility, and the potential of the technique will be discussed. 1 ref., 8 figs., 6 tabs

  3. Pulsed near-infrared photoacoustic spectroscopy of blood

    Science.gov (United States)

    Laufer, Jan G.; Elwell, Clare E.; Delpy, Dave T.; Beard, Paul C.

    2004-07-01

    The aim of this study was to use pulsed near infrared photoacoustic spectroscopy to determine the oxygen saturation (SO2) of a saline suspension of red blood cells in vitro. The photoacoustic measurements were made in a cuvette which formed part of a larger circuit through which the red blood cell suspension was circulated. Oxygen saturation of the red blood cell suspension was altered between 2-3% to 100% in step increments using a membrane oxygenator and at each increment an independent measurement of oxygen saturation was made using a co-oximeter. An optical parametric oscillator laser system provided nanosecond excitation pulses at a number of wavelengths in the near-infrared spectrum (740-1040nm) which were incident on the cuvette. The resulting acoustic signals were detected using a broadband (15MHz) Fabry-Perot polymer film transducer. The optical transport coefficient and amplitude were determined from the acoustic signals as a function of wavelength. These data were then used to calculate the relative concentrations of oxy- and deoxyhaemoglobin, using their known specific absorption coefficients and an empirically determined wavelength dependence of optical scattering over the wavelength range investigated. From this, the oxygen saturation of the suspension was derived with an accuracy of +/-5% compared to the co-oximeter SO2 measurements.

  4. Structure analysis of aromatic medicines containing nitrogen using near-infrared spectroscopy and generalized two-dimensional correlation spectroscopy

    Science.gov (United States)

    Liu, Hao; Gao, Hongbin; Qu, Lingbo; Huang, Yanping; Xiang, Bingren

    2008-12-01

    Four aromatic medicines (acetaminophen; niacinamide; p-aminophenol; nicotinic acid) containing nitrogen were investigated by FT-NIR (Fourier transform near-infrared) spectroscopy and generalized two-dimensional (2D) correlation spectroscopy. The FT-NIR spectra were measured over a temperature range of 30-130 °C. By combining near-infrared spectroscopy, generalized 2D correlation spectroscopy and references, the molecular structures (especially the hydrogen bond related with nitrogen) were analyzed and the NIR band assignments were performed. The results will be helpful to the understanding of aromatic medicines containing nitrogen and the utility of these substances.

  5. Infrared spectroscopy: a tool for determination of the degree of conversion in dental composites

    Directory of Open Access Journals (Sweden)

    Luciene Gonçalves Palmeira Moraes

    2008-04-01

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

  6. Near-infrared spectroscopy for cocrystal screening. A comparative study with Raman spectroscopy.

    Science.gov (United States)

    Allesø, Morten; Velaga, Sitaram; Alhalaweh, Amjad; Cornett, Claus; Rasmussen, Morten A; van den Berg, Frans; de Diego, Heidi Lopez; Rantanen, Jukka

    2008-10-15

    Near-infrared (NIR) spectroscopy is a well-established technique for solid-state analysis, providing fast, noninvasive measurements. The use of NIR spectroscopy for polymorph screening and the associated advantages have recently been demonstrated. The objective of this work was to evaluate the analytical potential of NIR spectroscopy for cocrystal screening using Raman spectroscopy as a comparative method. Indomethacin was used as the parent molecule, while saccharin and l-aspartic acid were chosen as guest molecules. Molar ratios of 1:1 for each system were subjected to two types of preparative methods. In the case of saccharin, liquid-assisted cogrinding as well as cocrystallization from solution resulted in a stable 1:1 cocrystalline phase termed IND-SAC cocrystal. For l-aspartic acid, the solution-based method resulted in a polymorphic transition of indomethacin into the metastable alpha form retained in a physical mixture with the guest molecule, while liquid-assisted cogrinding did not induce any changes in the crystal lattice. The good chemical peak selectivity of Raman spectroscopy allowed a straightforward interpretation of sample data by analyzing peak positions and comparing to those of pure references. In addition, Raman spectroscopy provided additional information on the crystal structure of the IND-SAC cocrystal. The broad spectral line shapes of NIR spectra make visual interpretation of the spectra difficult, and consequently, multivariate modeling by principal component analysis (PCA) was applied. Successful use of NIR/PCA was possible only through the inclusion of a set of reference mixtures of parent and guest molecules representing possible solid-state outcomes from the cocrystal screening. The practical hurdle related to the need for reference mixtures seems to restrict the applicability of NIR spectroscopy in cocrystal screening.

  7. Near-infrared spectroscopy for burning plasma diagnostic applications.

    Science.gov (United States)

    Soukhanovskii, V A

    2008-10-01

    Ultraviolet and visible (UV-VIS, 200-750 nm) atomic spectroscopy of neutral and ionized fuel species (H, D, T, and Li) and impurities (e.g., He, Be, C, and W) is a key element of plasma control and diagnosis on International Thermonuclear Experimental Reactor and future magnetically confined burning plasma experiments (BPXs). Spectroscopic diagnostic implementation and performance issues that arise in the BPX harsh nuclear environment in the UV-VIS range, e.g., degradation of first mirror reflectivity under charge-exchange atom bombardment (erosion) and impurity deposition, permanent and dynamic loss of window, and optical fiber transmission under intense neutron and gamma-ray fluxes, are either absent or not as severe in the near-infrared (NIR, 750-2000 nm) range. An initial survey of NIR diagnostic applications has been undertaken on the National Spherical Torus Experiment. It is demonstrated that NIR spectroscopy can be used for machine protection and plasma control applications, as well as contribute to plasma performance evaluation and physics studies. Emission intensity estimates demonstrate that NIR measurements are possible in the BPX plasma operating parameter range. Complications in the NIR range due to the parasitic background emissions are expected to occur at very high plasma densities, low impurity densities, and at high plasma-facing component temperatures.

  8. Near-infrared spectroscopy is feasible to discriminate hazelnut cultivars

    Directory of Open Access Journals (Sweden)

    Elisabetta Stella

    2013-09-01

    Full Text Available The study demonstrated the feasibility of the near infrared (NIR spectroscopy use for hazelnut-cultivar sorting. Hazelnut spectra were acquired from 600 fruit for each cultivar sample, two diffuse reflectance spectra were acquired from opposite sides of the same hazelnut. Spectral data were transformed into absorbance before the computations. A different variety of spectral pretreatments were applied to extract characteristics for the classification. An iterative Linear Discriminant Analysis (LDA algorithm was used to select a relatively small set of variables to correctly classify samples. The optimal group of features selected for each test was analyzed using Partial Least Squares Discriminant Analysis (PLS-DA. The spectral region most frequently chosen was the 1980-2060 nm range, which corresponds to best differentiation performance for a total minimum error rate lower than 1.00%. This wavelength range is generally associated with stretching and bending of the N-H functional group of amino acids and proteins. The feasibility of using NIR Spectroscopy to distinguish different hazelnut cultivars was demonstrated.

  9. [The changes of Fourier transform infrared spectroscopy in rat's brain].

    Science.gov (United States)

    Ke, Yong; Zhang, Jian-Gang; Huang, Ping; Lu, Qing-Yang; Fan, Shuan-Liang; Xu, Yong-Cheng; Wang, Zhen-Yuan

    2008-06-01

    To apply Fourier transform infrared (FTIR) spectroscopy to study the process of postmortem degradation of the rat brain and to provide a new way for the estimation of postmortem interval (PMI). The rats were sacrificed by cervical dislocation and the bodies were kept in a controlled environmental chamber set at (30 +/- 2) degrees C. To measure the content of the chemical groups in postmortem rat brains at the different time points from 0 to 36 h using the FTIR spectrograph. With prolongation of PMI, the peak position of main absorbance bands in the FTIR spectra showed no significant changes, while the peak levels showed dramatic changes: (1) The relative peak intensity of 1080 cm(-1), 1238 cm(-1) (I1080/I1398, I1238/I1398) associated with nucleic acid decreased obviously; (2) The peak intensity ratio at Amide I, II (I1647/I1541) decreased; (3) The peak intensities at 1456 cm(-1) and 1398 cm(-1) showed a decreased and an increased trend, respectively; (4) Compared to the peak intensity of 1647 cm(-1), the peak intensities at 2852 cm(-1), 2871 cm(-1), 2923 cm(-1), and 2958 cm(-1) tended to increase, with only a slightly increased tendency in peak intensity of 2871 cm(-1). FTIR spectroscopy may be potentially used as an effective method for estimating the PMI in medicolegal practice using brain tissue sample.

  10. Role of Infrared Spectroscopy and Imaging in Cancer Diagnosis.

    Science.gov (United States)

    Kumar, Saroj; Srinivasan, Alagiri; Nikolajeff, Fredrik

    2018-01-01

    Cancer is a major global health issue. It causes extensive individual suffering and gives a huge burden on the health care in society. Despite extensive research and different tools have been developed it still remains a challenge for early detection of this disease. FTIR imaging has been used to diagnose and differentiate the molecular differences between normal and diseased tissues. Fourier Transform Infrared Spectroscopy (FTIR) is able to measure biochemical changes in tissue, cell and biofluids based on the vibrational signature of their components. This technique enables to the distribution and structure of lipids, proteins, nucleic acids as well as other metabolites. These differences depended on the type and the grade of cancer. We emphasize here, that the FTIR spectroscopy and imaging can be considered as a promising technique and will find its place on the detection of this dreadful disease because of high sensitivity, accuracy and inexpensive technique. Now the medical community started using and accepting this technique for early stage cancer detection. We discussed this technique and the several challenges in its application for the diagnosis of cancer in regards of sample preparations, data interpretation, and data analysis. The sensitivity of chemotherapy drugs on individual specific has also discussed. So far progressed has done with the FTIR imaging in understanding of cancer disease pathology. However, more research is needed in this field and it is necessary to understand the morphology and biology of the sample before using the spectroscopy and imaging because invaluable information to be figured out. Copyright© Bentham Science Publishers; For any queries, please email at epub@benthamscience.org.

  11. 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

  12. AKARI/AcuA PHYSICAL STUDIES OF THE CYBELE ASTEROID FAMILY

    Energy Technology Data Exchange (ETDEWEB)

    Kasuga, Toshihiro [Public Relations Center, National Astronomical Observatory of Japan, 2-21-1 Osawa, Mitaka, Tokyo 181-8588 (Japan); Usui, Fumihiko; Hasegawa, Sunao [Institute of Space and Astronautical Science, Japan Aerospace Exploration Agency, 3-1-1 Yoshinodai, Chuo-ku, Sagamihara, Kanagawa 252-5210 (Japan); Kuroda, Daisuke [Okayama Astrophysical Observatory, National Astronomical Observatory of Japan, 3037-5 Honjo, Kamogata, Asakuchi, Okayama 719-0232 (Japan); Ootsubo, Takafumi [Astronomical Institute, Tohoku University, 6-3 Aoba, Aramaki, Aoba-ku, Sendai 980-8578 (Japan); Mueller, Thomas G. [Max-Planck-Institut fuer Extraterrestrische Physik, Giessenbachstrasse, 85748 Garching (Germany); Ishiguro, Masateru, E-mail: toshi.kasuga@nao.ac.jp [Department of Physics and Astronomy, Seoul National University, San 56-1, Shillim-dong Gwanak-gu, Seoul 151-742 (Korea, Republic of)

    2012-06-15

    We present a study of 107 Cybele asteroids based on the archival database 'Asteroid Catalog Using AKARI (AcuA)' taken by the Infrared Astronomical Satellite. The database provides diameters D > 10 km, geometric albedos, and taxonomic information (75%) of the Cybeles. We find taxonomic diversity (mainly C-, D-, and P-type) in the population of 78 small Cybeles with diameters 10 km 80 km are mostly classified as C- or P-types (90%), with a power-law index of 2.39 {+-} 0.18. The total mass of Cybele asteroids is estimated to be {approx}10{sup -5} M{sub Earth}. We also discuss the origin and formation process of the Cybele asteroid family.

  13. High-speed high-sensitivity infrared spectroscopy using mid-infrared swept lasers (Conference Presentation)

    Science.gov (United States)

    Childs, David T. D.; Groom, Kristian M.; Hogg, Richard A.; Revin, Dmitry G.; Cockburn, John W.; Rehman, Ihtesham U.; Matcher, Stephen J.

    2016-03-01

    Infrared spectroscopy is a highly attractive read-out technology for compositional analysis of biomedical specimens because of its unique combination of high molecular sensitivity without the need for exogenous labels. Traditional techniques such as FTIR and Raman have suffered from comparatively low speed and sensitivity however recent innovations are challenging this situation. Direct mid-IR spectroscopy is being speeded up by innovations such as MEMS-based FTIR instruments with very high mirror speeds and supercontinuum sources producing very high sample irradiation levels. Here we explore another possible method - external cavity quantum cascade lasers (EC-QCL's) with high cavity tuning speeds (mid-IR swept lasers). Swept lasers have been heavily developed in the near-infrared where they are used for non-destructive low-coherence imaging (OCT). We adapt these concepts in two ways. Firstly by combining mid-IR quantum cascade gain chips with external cavity designs adapted from OCT we achieve spectral acquisition rates approaching 1 kHz and demonstrate potential to reach 100 kHz. Secondly we show that mid-IR swept lasers share a fundamental sensitivity advantage with near-IR OCT swept lasers. This makes them potentially able to achieve the same spectral SNR as an FTIR instrument in a time x N shorter (N being the number of spectral points) under otherwise matched conditions. This effect is demonstrated using measurements of a PDMS sample. The combination of potentially very high spectral acquisition rates, fundamental SNR advantage and the use of low-cost detector systems could make mid-IR swept lasers a powerful technology for high-throughput biomedical spectroscopy.

  14. Indirect absorption spectroscopy using quantum cascade lasers: mid-infrared refractometry and photothermal spectroscopy.

    Science.gov (United States)

    Pfeifer, Marcel; Ruf, Alexander; Fischer, Peer

    2013-11-04

    We record vibrational spectra with two indirect schemes that depend on the real part of the index of refraction: mid-infrared refractometry and photothermal spectroscopy. In the former, a quantum cascade laser (QCL) spot is imaged to determine the angles of total internal reflection, which yields the absorption line via a beam profile analysis. In the photothermal measurements, a tunable QCL excites vibrational resonances of a molecular monolayer, which heats the surrounding medium and changes its refractive index. This is observed with a probe laser in the visible. Sub-monolayer sensitivities are demonstrated.

  15. Helium Tagging Infrared Photodissociation Spectroscopy of Reactive Ions.

    Science.gov (United States)

    Roithová, Jana; Gray, Andrew; Andris, Erik; Jašík, Juraj; Gerlich, Dieter

    2016-02-16

    The interrogation of reaction intermediates is key for understanding chemical reactions; however their direct observation and study remains a considerable challenge. Mass spectrometry is one of the most sensitive analytical techniques, and its use to study reaction mixtures is now an established practice. However, the information that can be obtained is limited to elemental analysis and possibly to fragmentation behavior, which is often challenging to analyze. In order to extend the available experimental information, different types of spectroscopy in the infrared and visible region have been combined with mass spectrometry. Spectroscopy of mass selected ions usually utilizes the powerful sensitivity of mass spectrometers, and the absorption of photons is not detected as such but rather translated to mass changes. One approach to accomplish such spectroscopy involves loosely binding a tag to an ion that will be removed by absorption of one photon. We have constructed an ion trapping instrument capable of reaching temperatures that are sufficiently low to enable tagging by helium atoms in situ, thus permitting infrared photodissociation spectroscopy (IRPD) to be carried out. While tagging by larger rare gas atoms, such as neon or argon is also possible, these may cause significant structural changes to small and reactive species, making the use of helium highly beneficial. We discuss the "innocence" of helium as a tag in ion spectroscopy using several case studies. It is shown that helium tagging is effectively innocent when used with benzene dications, not interfering with their structure or IRPD spectrum. We have also provided a case study where we can see that despite its minimal size there are systems where He has a huge effect. A strong influence of the He tagging was shown in the IRPD spectra of HCCl(2+) where large spectral shifts were observed. While the presented systems are rather small, they involve the formation of mixtures of isomers. We have therefore

  16. Species authentication and geographical origin discrimination of herbal medicines by near infrared spectroscopy: A review

    Directory of Open Access Journals (Sweden)

    Pei Wang

    2015-10-01

    Full Text Available Near infrared (NIR spectroscopy as a rapid and nondestructive analytical technique, integrated with chemometrics, is a powerful process analytical tool for the pharmaceutical industry and is becoming an attractive complementary technique for herbal medicine analysis. This review mainly focuses on the recent applications of NIR spectroscopy in species authentication of herbal medicines and their geographical origin discrimination. Keywords: Near infrared spectroscopy, Herbal medicine, Species authentication, Geographical origin discrimination, Quality control

  17. [Investigation of fibrous cultural materials by infrared spectroscopy].

    Science.gov (United States)

    Luo, Xi-yun; Du, Yi-ping; Shen, Mei-hua; Zhang, Wen-qing; Zhou, Xin-guang; Fang, Shu-ying; Zhang, Xuan

    2015-01-01

    Cultural fibrous material includes both important categories, i. e. textile and paper, consisting of precious cultural materials in museum, such as costume, painting, and manuscript. In recent years more and more connoisseur and conservator's concerns are, through nondestructive method, the authenticity and the ageing identification of these cultural relics especially made from fragile materials. In this research, we used attenuated total reflection infrared spectroscopy to identify five traditional textile fibers, alongside cotton, linen, wool, mulberry silk and tussah silk, and another five paper fibers alongside straw, wheat straw, long qisong, Chinese alpine rush and mulberry bar, which are commonly used for making Chinese traditional xuan paper. The research result showed that the animal fiber (wool, mulberry silk and tussah silk) and plant fiber (cotton and linen) were easier to be distinguished by comparing the peaks at 3 280 cm-1 belonging to NH stretching vibration and a serious peaks related to amide I to amide III. In the spectrum of wool, the peak at 1 076 cm-1 was assigned to the S-O stretching vibration absorption of cystine in wool structure and can be used to tell wool from silk. The spectrum of mulberry silk and tussah silk seems somewhat difficult to be identified, as well as the spectrum of cotton and linen. Five rural paper fibers all have obvious characteristic peaks at 3 330, 2 900 cm-1 which are related to OH and CH stretching vibration. In the fingerprint wavenumber range of 1 600 - 800 cm, the similar peaks also appeared at 1 370, 1 320 cm-1 and 1 162, 1 050 cm-1, both group peaks respectively are related to CH and CO vibration in the structure of cellulose and hemicellulose in paper fibers. Although there is more similarity of the infrared spectroscopy of these 5 paper fibers, some tiny difference in absorbance also can be found at 3 300 cm-1 and in the fingerprint range at 1 332, 1 203, and 1 050 cm-1 which are related to C-O-C vibration

  18. Optimal hemodynamic response model for functional near-infrared spectroscopy.

    Science.gov (United States)

    Kamran, Muhammad A; Jeong, Myung Yung; Mannan, Malik M N

    2015-01-01

    Functional near-infrared spectroscopy (fNIRS) is an emerging non-invasive brain imaging technique and measures brain activities by means of near-infrared light of 650-950 nm wavelengths. The cortical hemodynamic response (HR) differs in attributes at different brain regions and on repetition of trials, even if the experimental paradigm is kept exactly the same. Therefore, an HR model that can estimate such variations in the response is the objective of this research. The canonical hemodynamic response function (cHRF) is modeled by two Gamma functions with six unknown parameters (four of them to model the shape and other two to scale and baseline respectively). The HRF model is supposed to be a linear combination of HRF, baseline, and physiological noises (amplitudes and frequencies of physiological noises are supposed to be unknown). An objective function is developed as a square of the residuals with constraints on 12 free parameters. The formulated problem is solved by using an iterative optimization algorithm to estimate the unknown parameters in the model. Inter-subject variations in HRF and physiological noises have been estimated for better cortical functional maps. The accuracy of the algorithm has been verified using 10 real and 15 simulated data sets. Ten healthy subjects participated in the experiment and their HRF for finger-tapping tasks have been estimated and analyzed. The statistical significance of the estimated activity strength parameters has been verified by employing statistical analysis (i.e., t-value > t critical and p-value < 0.05).

  19. [The application of near-infrared reflectance spectroscopy in seeds quality certification].

    Science.gov (United States)

    Ren, Wei-Bo; Han, Jian-Guo; Zhang, Yun-Wei; Guo, Hui-Qin

    2008-03-01

    Near infrared reflectance spectroscopy is a newly developed method capable of analyzing the content of specific compound in the detected sample quickly and efficiently. Near infrared reflectance spectroscopy has been wildly used in many fields such as agriculture science, food industry, medical industry, chemical engineering and protection of environment and so on. In the present paper firstly the principle, technique method and merits of near infrared reflectance spectroscopy were described. Then the application of near infrared reflectance spectroscopy to the seeds of many crops, i.e. wheat, rice, rape and apple, was reviewed and discussed in brief. Based on this introduction, the potential value of the application of near infrared reflectance spectroscopy to the grass seeds quality certification was discussed in the four areas, i.e. the grass seed variety discrimination, the standard percentage rate of grass seed germination testing, the scale of the content of grass seed moisture, and the evaluation of the grass seed vigor and the purity of grass seed. Finally, it was concluded that the application of near infrared reflectance spectroscopy to the grass seed quality certification is significant both in the academic and the technical areas because near infrared reflectance spectroscopy will not only improve the efficiency of grass seed certification, saving manual work and testing time, but also help expand the extent and application of routine quality certification of grass seeds.

  20. Characterizing process effects on pharmaceutical solid forms using near-infrared spectroscopy and infrared imaging.

    Science.gov (United States)

    Roggo, Y; Jent, N; Edmond, A; Chalus, P; Ulmschneider, M

    2005-09-01

    Near-infrared spectroscopy (NIRS) has become a widely used analytical technique in the pharmaceutical industry, serving for example to determine the active substance or water content of tablets. Its great advantage lies in the minimal sample preparation required and speed of measurement. In a study designed to detect the effects of process on tablet dissolution, we describe the application of NIRS to the detection and identification of changes in uncoated and coated tablets in response to pilot-scale changes in process parameters during melt granulation, compression, and coating. Beginning with a qualitative comparison between pharmaceutical batches, we show that NIRS and principal component analysis can separate batches produced with different melt granulation parameters and differentiate between cores compressed with different compaction forces. Complementary infrared imaging can also explain the difference in dissolution properties between samples produced with different melt granulation parameters. NIRS is sensitive to changes in coating formulation, the quality of a coating excipient (hydroxypropyl methylcellulose), and coating time. In a concluding quantitative analysis, we demonstrate the feasibility of NIRS in a manufacturing context for predicting coating time and detecting production cores failing to meet dissolution test specifications.

  1. 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

  2. Near infrared spectroscopy in the study of polymorphic transformations

    Energy Technology Data Exchange (ETDEWEB)

    Blanco, Marcel [Department of Chemistry, Analytical Chemistry Unity, Faculty of Sciences, Autonomous University of Barcelona, E-08193 Bellaterra, Barcelona (Spain)]. E-mail: marcel.blanco@uab.es; Alcala, Manel [Department of Chemistry, Analytical Chemistry Unity, Faculty of Sciences, Autonomous University of Barcelona, E-08193 Bellaterra, Barcelona (Spain); Gonzalez, Josep M. [Laboratorios Menarini S.A., c/. Alfons XII, 587, E-08918 Badalona, Barcelona (Spain); Torras, Ester [Laboratorios Menarini S.A., c/. Alfons XII, 587, E-08918 Badalona, Barcelona (Spain)

    2006-05-17

    The potential of near infrared (NIR) spectroscopy for the characterization of polymorphs in the active principle of a commercial formulation prior to and after the manufacturing process was assessed. Polymorphism in active principles is extremely significant to the pharmaceutical industry. Polymorphic changes during the production of commercial pharmaceutical formulations can alter some properties of the resulting end-products. Multivariate curve resolution-alternating least squares (MCR-ALS) methodology was used to obtain the 'pure' NIR spectrum for the active principle without the need to pretreat samples. This methodology exposed the polymorphic transformation of Dexketoprofen Trometamol (DKP) in both laboratory and production samples obtained by wet granulation. No polymorphic transformation, however, was observed in samples obtained by direct compaction. These results were confirmed using by X-ray powder diffractometry (XRD) and differential scanning calorimetry (DSC) measurements. Pure crystalline polymorphs of DKP were available in the laboratory but amorphous form was not, nevertheless the developed methodology allows the identification of amorphous and crystal forms in spite of the lack of pure DKP.

  3. Carbon monoxide reduces near-infrared spectroscopy determined 'total' hemoglobin

    DEFF Research Database (Denmark)

    Niemann, Mads J; Sørensen, Henrik; Siebenmann, Christoph

    2017-01-01

    to normoxia (68.9 ± 6.9%; p determined ScO2 remained unchanged during CO/O2 and O2 inhalations but oxygenated and deoxygenated hemoglobin decreased (by 19.7 μM (median; IQR 2.8-34.8; p = .016) and 37.3 μM (30.8-46.6; p = .004), respectively) during inhalation of CO/O2 compared...... to inhalation of O2. Therefore, NIRO-200NX determined 'total' hemoglobin (sum of O2Hb and HHb) decreased (by 62.1 μM; 44.5-78.2; p = .001). In conclusion, exposure to CO did not increase MCAVmean, and neither NIRO-200NX nor INVOS-5100 detected a change in ScO2 when CO was added to inhalation of oxygen......Carbon monoxide (CO) increases middle cerebral artery mean flow velocity (MCAVmean), but the effect of CO on the near-infrared spectroscopy (NIRS) determined cerebral oxygenation (ScO2) is not detailed. In our study, 11 non-smoking subjects breathed 100% O2 through a closed circuit. A CO2 scrubber...

  4. Human Milk Analysis Using Mid-Infrared Spectroscopy.

    Science.gov (United States)

    Groh-Wargo, Sharon; Valentic, Jennifer; Khaira, Sharmeel; Super, Dennis M; Collin, Marc

    2016-04-01

    The composition of human milk is known to vary with length of gestation, stage of lactation, and other factors. Human milk contains all nutrients required for infant health but requires fortification to meet the needs of low-birth-weight infants. Without a known nutrient profile of the mother's milk or donor milk fed to a baby, the composition of the fortified product is only an estimate. Human milk analysis has the potential to improve the nutrition care of high-risk newborns by increasing the information about human milk composition. Equipment to analyze human milk is available, and the technology is rapidly evolving. This pilot study compares mid-infrared (MIR) spectroscopy to reference laboratory milk analysis. After obtaining informed consent, we collected human milk samples from mothers of infants weighing analysis including Kjeldahl for protein, Mojonnier for fat, and high-pressure liquid chromatography for lactose. Intraclass correlation coefficients, Bland-Altman scatter plots, and paired t tests were used to compare the two methods. No significant differences were detected between the macronutrient content of human milk obtained by MIR vs reference laboratory analysis. MIR analysis appears to provide an accurate assessment of macronutrient content in expressed human milk from mothers of preterm infants. The small sample size of this study limits confidence in the results. Measurement of lactose is confounded by the presence of oligosaccharides. Human milk analysis is a potentially useful tool for establishing an individualized fortification plan. © 2015 American Society for Parenteral and Enteral Nutrition.

  5. Infrared Spectroscopy and Structure of (NO)(n) Clusters.

    Science.gov (United States)

    Hoshina, Hiromichi; Slipchenko, Mikhail; Prozument, Kirill; Verma, Deepak; Schmidt, Michael W; Ivanic, Joseph; Vilesov, Andrey F

    2016-02-04

    Nitrogen oxide clusters (NO)n have been studied in He droplets via infrared depletion spectroscopy and by quantum chemical calculations. The ν1 and ν5 bands of cis-ON-NO dimer have been observed at 1868.2 and 1786.5 cm(-1), respectively. Furthermore, spectral bands of the trimer and tetramer have been located in the vicinity of the corresponding dimer bands in accord with computed frequencies that place NO-stretch bands of dimer, trimer, and tetramer within a few wavenumbers of each other. In addition, a new line at 1878.1 cm(-1) close to the band origin of single molecules was assigned to van der Waals bound dimers of (NO)2, which are stabilized due to the rapid cooling in He droplets. Spectra of larger clusters (n > 5), have broad unresolved features in the vicinity of the dimer bands. Experiments and calculations indicate that trimers consist of a dimer and a loosely bound third molecule, whereas the tetramer consists of two weakly bound dimers.

  6. Bundled-Optode Method in Functional Near-Infrared Spectroscopy.

    Directory of Open Access Journals (Sweden)

    Hoang-Dung Nguyen

    Full Text Available In this paper, a theory for detection of the absolute concentrations of oxy-hemoglobin (HbO and deoxy-hemoglobin (HbR from hemodynamic responses using a bundled-optode configuration in functional near-infrared spectroscopy (fNIRS is proposed. The proposed method is then applied to the identification of two fingers (i.e., little and thumb during their flexion and extension. This experiment involves a continuous-wave-type dual-wavelength (760 and 830 nm fNIRS and five healthy male subjects. The active brain locations of two finger movements are identified based on the analysis of the t- and p-values of the averaged HbOs, which are quite distinctive. Our experimental results, furthermore, revealed that the hemodynamic responses of two-finger movements are different: The mean, peak, and time-to-peak of little finger movements are higher than those of thumb movements. It is noteworthy that the developed method can be extended to 3-dimensional fNIRS imaging.

  7. Near Infrared Spectroscopy during pediatric cardiac surgery: errors and pitfalls.

    Science.gov (United States)

    Durandy, Y; Rubatti, M; Couturier, R

    2011-09-01

    As a result of improvements in early outcomes, long-term neurologicalal outcomes are becoming a major issue in pediatric cardiac surgery. The mechanisms of brain injury are numerous, but a vast majority of injuries are impervious to therapy and only a few are modifiable. The quality of perfusion during cardiac surgery is a modifiable factor and cerebral monitoring during bypass is the way to assess the quality of intra-operative cerebral perfusion. Near infrared spectroscopy (NIRS), as a diagnostic tool, has gained in popularity within the perfusion community. However, NIRS is becoming the standard of care before its scientific validation. This manuscript relates four clinical cases, demonstrating the limitations of NIRS monitoring during pediatric cardiac surgery as well as uncertainties about the interpretation of the recorded values. The clinical relevance of cerebral oxymetry is needed before the use of NIRS as a decision making tool. Multimodal brain monitoring with NIRS, trans-cranial Doppler and electroencephalogram are currently under way in several pediatric centers. The benefit of this time-consuming and expensive monitoring system has yet to be demonstrated.

  8. Adulteration identification in raw milk using Fourier transform infrared spectroscopy.

    Science.gov (United States)

    Coitinho, Tatiane Barbosa; Cassoli, Laerte Dagher; Cerqueira, Pedro Henrique Ramos; da Silva, Helen Krystine; Coitinho, Juliana Barbosa; Machado, Paulo Fernando

    2017-07-01

    Adulteration of milk is a common practice that concerns regulatory agencies, industry, and the population. Despite the growing need for checking adulteration, the current methods employed generally have low performance and are highly dependent on manual labor. This study aims to calibrate and validate a compact equipment (MilkoScan FT1) that adopts a Fourier transform infrared spectroscopy methodology to monitor adulteration in raw milk. Almost 2500 milk samples were used for reference spectrum construction and 1650 samples were used to validate the identification of the following five most commonly used adulterants (at three different concentrations each): (1) cornstarch, (2) sodium bicarbonate, (3) sodium citrate, (4) formaldehyde, and (5) saccharose, plus the additions of two levels of water or whey. To define the calibration with the best performance in milk adulteration identification, 12 calibrations involving 8, 10, 12, 14, 16, or 18 factors, with one or two outlier eliminations, were developed. The results of sensitivity and specificity analyses, as well as Kruskal-Wallis and Dunn multiple comparison tests, revealed that the calibration that best identified the adulterants was the one involving 14 factors, with a single elimination of outliers, exhibiting for all adulterants simultaneously, 84% sensitivity and 100% specificity. The calibration showed excellent sensitivity to cornstarch (>98%), sodium bicarbonate (100%), sodium citrate (99%), and formaldehyde (>84%), indicating that this calibration has good capacity for adulteration detection. Thus, this methodology is a viable option for the dairy industry to identify adulteration of raw milk.

  9. The application of near infrared spectroscopy in nutritional intervention studies

    Directory of Open Access Journals (Sweden)

    Philippa A Jackson

    2013-08-01

    Full Text Available Functional near infrared spectroscopy (NIRS is a non-invasive optical imaging technique used to monitor cerebral blood flow (CBF and by proxy neuronal activation. The use of NIRS in nutritional intervention studies is a relatively novel application of this technique, with only a small, but growing, number of trials published to date. These trials—in which the effects on CBF following administration of dietary components such as caffeine, polyphenols and omega-3 polyunsaturated fatty acids are assessed—have successfully demonstrated NIRS as a sensitive measure of change in haemodynamic response during cognitive tasks in both acute and chronic treatment intervention paradigms. The existent research in this area has been limited by the constraints of the technique itself however advancements in the measurement technology, paired with studies endeavouring increased sophistication in number and locations of channels over the head should render the use of NIRS in nutritional interventions particularly valuable in advancing our understanding of the effects of nutrients and dietary components on the brain.

  10. Characterization and Infrared Emission Spectroscopy of Ball Plasmoid Discharges

    Science.gov (United States)

    Dubowsky, Scott E.; McCall, Benjamin J.

    2015-06-01

    Plasmas at atmospheric pressure serve many purposes, from ionization sources for ambient mass spectrometry (AMS) to plasma-assisted wound healing. Of the many naturally occurring ambient plasmas, ball lightning is one of the least understood; there is currently no solid explanation in the literature for the formation and lifetime of natural ball lightning. With the first measurements of naturally occurring ball lightning being reported last year, we have worked to replicate the natural phenomenon in order to elucidate the physical and chemical processes by which the plasma is sustained at ambient conditions. We are able to generate ball-shaped plasmoids (self-sustaining plasmas) that are analogous to natural ball lightning using a high-voltage, high-current, pulsed DC system. Improvements to the discharge electronics used in our laboratory and characterization of the plasmoids that are generated from this system will be described. Infrared emission spectroscopy of these plasmoids reveals emission from water and hydroxyl radical -- fitting methods for these molecular species in the complex experimental spectra will be presented. Rotational temperatures for the stretching and bending modes of H2O along with that of OH will be presented, and the non-equilibrium nature of the plasmoid will be discussed in this context. Cen, J.; Yuan, P,; Xue, S. Phys. Rev. Lett. 2014, 112, 035001. Dubowsky, S.E.; Friday, D.M.; Peters, K.C.; Zhao, Z.; Perry, R.H.; McCall, B.J. Int. J. Mass Spectrom. 2015, 376, 39-45.

  11. Study of deacetylation in chitinous materials using near infrared spectroscopy

    Science.gov (United States)

    Chen, Suming; Tsai, Chih-Cheng; Chen, Richie L. C.; Yang, I.-Chang; Hsiao, Hsien-Yi; Chen, Chia-Tseng; Yang, Ci-Wen

    2005-11-01

    Chitinous materials are important sources for bio-medical applications, and the process monitoring is one of key factors for the quality control of products. In this study, chitin and chitosan in suspension form were analyzed using near infrared (NIR) spectroscopy. Two models including multiple linear regression (MLR), modified partial least square regression (MPLSR) were adopted for studying the degree of deacetylation (DD) of chitinous materials in order to assure a better quality monitoring and control for chitosan production. During the process of the deacetylation, the real-time measurements of suspension were conducted. The MPLSR model with second derivative spectra in the range of 600-1000 and 1400-1500 nm yielded the best results, which were rc=0.991, SEC=0.019, RESC=1.4%, rp=0.990, SEP=0.022, RSEP=3.4%, RPD=9.4. The NIR measurements of DD status of chitinous suspension could be achieved by using the MLR and MPLSR models developed in this study. It provides great application potentials to the real-time and on-line quality monitoring of deacetylation process for the production of chitosan.

  12. Giant Planet Interior Physics from Near-Infrared Spectroscopy

    Science.gov (United States)

    Fortney, Jonathan J.; Thorngren, Daniel; Line, Michael R.; Morley, Caroline

    2017-10-01

    Transiting planets give us excellent probes of giant exoplanet structure (from mass and radius) and atmospheres (from transit and occultation spectroscopy). However, the combined power of these observations to understand how the planetary interior structure may impact its atmosphere has not yet been fully exploited. This will change with JWST. In particular, near-infrared wavelengths have less water opacity than mid-IR wavelengths, which allows us to probe thermal emission from deeper, hotter regions of the atmosphere. In some circumstances we should be able to see thermal emission coming from below the radiative-convective boundary in the atmosphere, including the adiabat itself. This adiabat continues into the planet’s very deep interior -- the specific entropy of this adiabat sets the planetary radius at a given mass. Hot internal adiabats, which we should be able to ``see” in thermal emission, should be present for the most inflated hot Jupiters, and planets like warm Neptunes that are strongly influenced by tidal heating (e.g. GJ 436b, Morley et al. 2017). Determining the flux coming from these atmospheric depths can be an important constraint on structure models of planets that have aimed to understand giant planet bulk metal enrichment, which is an important constraint on formation models. These flux detections can also provide novel and reasonably direct constraints on planetary tidal Q for eccentric planets. We highlight how we expect JWST to open up this new window into exoplanetary physics.

  13. Near-Infrared Spectroscopy for the Evaluation of Anesthetic Depth

    Directory of Open Access Journals (Sweden)

    Gabriela Hernandez-Meza

    2015-01-01

    Full Text Available The standard-of-care guidelines published by the American Society of Anesthesiologists (ASA recommend monitoring of pulse oximetry, blood pressure, heart rate, and end tidal CO2 during the use of anesthesia and sedation. This information can help to identify adverse events that may occur during procedures. However, these parameters are not specific to the effects of anesthetics or sedatives, and therefore they offer little, to no, real time information regarding the effects of those agents and do not give the clinician the lead-time necessary to prevent patient “awareness.” Since no “gold-standard” method is available to continuously, reliably, and effectively monitor the effects of sedatives and anesthetics, such a method is greatly needed. Investigation of the use of functional near-infrared spectroscopy (fNIRS as a method for anesthesia or sedation monitoring and for the assessment of the effects of various anesthetic drugs on cerebral oxygenation has started to be conducted. The objective of this paper is to provide a thorough review of the currently available published scientific studies regarding the use of fNIRS in the fields of anesthesia and sedation monitoring, comment on their findings, and discuss the future work required for the translation of this technology to the clinical setting.

  14. Fourier transform infrared spectroscopy for analysis of kidney stones.

    Science.gov (United States)

    Khan, Aysha Habib; Imran, Sheharbano; Talati, Jamsheer; Jafri, Lena

    2018-01-01

    To compare the results of a chemical method of kidney stone analysis with the results of Fourier transform infrared (FT-IR) spectroscopy. Kidney stones collected between June and October 2015 were simultaneously analyzed by chemical and FT-IR methods. Kidney stones (n=449) were collected from patients from 1 to 81 years old. Most stones were from adults, with only 11.5% from children (aged 3-16 years) and 1.5% from children aged stone type, calcium oxalate monohydrate (COM, n=224), was the most common crystal, followed by uric acid and calcium oxalate dihydrate (COD, n=83). In children, the most frequently occurring type was predominantly COD (n=21), followed by COM (n=11), ammonium urate (n=10), carbonate apatite (n=6), uric acid (n=4), and cystine (n=1). Core composition in 22 stones showed ammonium urate (n=2), COM (n=2), and carbonate apatite (n=1) in five stones, while uric acid crystals were detected (n=13) by FT-IR. While chemical analysis identified 3 stones as uric acid and the rest as calcium oxalate only. Agreement between the two methods was moderate, with a kappa statistic of 0.57 (95% confidence interval, 0.5-0.64). Disagreement was noted in the analysis of 77 stones. FT-IR analysis of kidney stones can overcome many limitations associated with chemical analysis.

  15. Prediction of brain tissue temperature using near-infrared spectroscopy

    Science.gov (United States)

    Holper, Lisa; Mitra, Subhabrata; Bale, Gemma; Robertson, Nicola; Tachtsidis, Ilias

    2017-01-01

    Abstract. Broadband near-infrared spectroscopy (NIRS) can provide an endogenous indicator of tissue temperature based on the temperature dependence of the water absorption spectrum. We describe a first evaluation of the calibration and prediction of brain tissue temperature obtained during hypothermia in newborn piglets (animal dataset) and rewarming in newborn infants (human dataset) based on measured body (rectal) temperature. The calibration using partial least squares regression proved to be a reliable method to predict brain tissue temperature with respect to core body temperature in the wavelength interval of 720 to 880 nm with a strong mean predictive power of R2=0.713±0.157 (animal dataset) and R2=0.798±0.087 (human dataset). In addition, we applied regression receiver operating characteristic curves for the first time to evaluate the temperature prediction, which provided an overall mean error bias between NIRS predicted brain temperature and body temperature of 0.436±0.283°C (animal dataset) and 0.162±0.149°C (human dataset). We discuss main methodological aspects, particularly the well-known aspect of over- versus underestimation between brain and body temperature, which is relevant for potential clinical applications. PMID:28630878

  16. Quantifying cerebral hypoxia by near-infrared spectroscopy tissue oximetry

    DEFF Research Database (Denmark)

    Rasmussen, Martin B.; Eriksen, Vibeke R.; Andresen, Bjørn

    2017-01-01

    hypotension to investigate the influence of blood volume distribution on cerebral NIRS in a newborn piglet model. Hypotension was induced gradually by inflating a balloon-catheter in the inferior vena cava and the regional tissue oxygenation from NIRS (rStO2,NIRS) was then compared to a reference (rStO2,COX......Tissue oxygenation estimated by near-infrared spectroscopy (NIRS) is a volume-weighted mean of the arterial and venous hemoglobin oxygenation. In vivo validation assumes a fixed arterial-to-venous volume-ratio (AV-ratio). Regulatory cerebro-vascular mechanisms may change the AV-ratio. We used......) calculated from superior sagittal sinus and aortic blood sample co-oximetry with a fixed AV-ratio. Apparent changes in the AV-ratio and cerebral blood volume (CBV) were also calculated. The mean arterial blood pressure (MABP) range was 14 to 82 mmHg. PaCO2 and SaO2 were stable during measurements. rStO2,NIRS...

  17. Near-infrared spectroscopy (NIRS) in a piglet model

    DEFF Research Database (Denmark)

    Clausen, Nicola Groes; Spielmann, Nelly; Ringer, Simone K.

    2017-01-01

    Near-infrared spectroscopy (NIRS) in a piglet model: readings are influenced by the colour of the cover Clausen NG1,2, Spielmann N1,3, Weiss M1,3, Ringer SK4 1Children’s Research Center, University Children’s Hospital of Zurich, Switzerland; 2Department of Anaesthesiology and Intensive Care, Odense...... from rSO2-UC and rSO2-SC (rSO2-UC2: 57.4 ± 6.8; rSO2-SC: 57.5 ± 6.4; rSO2-SD: 52 ± 5.9 %) (preadings can be influenced by covering of the sensors. The colour of the cover seems to be of importance....... This variability is likely to reflect a source of error rather than an actual change in rSO2 and should be considered, when interpreting rSO2 in a clinical setting. We suggest application of a black sensor cover to avoid the influence of light. Acknowledgement: An INVOS Oximetry monitor was provided with courtesy...

  18. Near infrared spectroscopic imaging assessment of cartilage composition: Validation with mid infrared imaging spectroscopy.

    Science.gov (United States)

    Palukuru, Uday P; Hanifi, Arash; McGoverin, Cushla M; Devlin, Sean; Lelkes, Peter I; Pleshko, Nancy

    2016-07-05

    Disease or injury to articular cartilage results in loss of extracellular matrix components which can lead to the development of osteoarthritis (OA). To better understand the process of disease development, there is a need for evaluation of changes in cartilage composition without the requirement of extensive sample preparation. Near infrared (NIR) spectroscopy is a chemical investigative technique based on molecular vibrations that is increasingly used as an assessment tool for studying cartilage composition. However, the assignment of specific molecular vibrations to absorbance bands in the NIR spectrum of cartilage, which arise from overtones and combinations of primary absorbances in the mid infrared (MIR) spectral region, has been challenging. In contrast, MIR spectroscopic assessment of cartilage is well-established, with many studies validating the assignment of specific bands present in MIR spectra to specific molecular vibrations. In the current study, NIR imaging spectroscopic data were obtained for compositional analysis of tissues that served as an in vitro model of OA. MIR spectroscopic data obtained from the identical tissue regions were used as the gold-standard for collagen and proteoglycan (PG) content. MIR spectroscopy in transmittance mode typically requires a much shorter pathlength through the sample (≤10 microns thick) compared to NIR spectroscopy (millimeters). Thus, this study first addressed the linearity of small absorbance bands in the MIR region with increasing tissue thickness, suitable for obtaining a signal in both the MIR and NIR regions. It was found that the linearity of specific, small MIR absorbance bands attributable to the collagen and PG components of cartilage (at 1336 and 856 cm(-1), respectively) are maintained through a thickness of 60 μm, which was also suitable for NIR data collection. MIR and NIR spectral data were then collected from 60 μm thick samples of cartilage degraded with chondroitinase ABC as a model

  19. Application of Raman Spectroscopy and Infrared Spectroscopy in the Identification of Breast Cancer.

    Science.gov (United States)

    Depciuch, Joanna; Kaznowska, Ewa; Zawlik, Izabela; Wojnarowska, Renata; Cholewa, Marian; Heraud, Philip; Cebulski, Józef

    2016-02-01

    Raman spectroscopy and infrared (IR) spectroscopy are both techniques that allow for the investigation of vibrating chemical particles. These techniques provide information not only about chemical particles through the identification of functional groups and spectral analysis of so-called "fingerprints", these methods allow for the qualitative and quantitative analyses of chemical substances in the sample. Both of these spectral techniques are frequently being used in biology and medicine in diagnosing illnesses and monitoring methods of therapy. The type of breast cancer found in woman is often a malignant tumor, causing 1.38 million new cases of breast cancer and 458 000 deaths in the world in 2013. The most important risk factors for breast cancer development are: sex, age, family history, specific benign breast conditions in the breast, ionizing radiation, and lifestyle. The main purpose of breast cancer screening tests is to establish early diagnostics and to apply proper treatment. Diagnoses of breast cancer are based on: (1) physical techniques (e.g., ultrasonography, mammography, elastography, magnetic resonance, positron emission tomography [PET]); (2) histopathological techniques; (3) biological techniques; and (4) optical techniques (e.g., photo acoustic imaging, fluorescence tomography). However, none of these techniques provides unique or especially revealing answers. The aim of our study is comparative spectroscopic measurements on patients with the following: normal non-cancerous breast tissue; breast cancer tissues before chemotherapy; breast cancer tissues after chemotherapy; and normal breast tissues received around the cancerous breast region. Spectra collected from breast cancer patients shows changes in amounts of carotenoids and fats. We also observed changes in carbohydrate and protein levels (e.g., lack of amino acids, changes in the concentration of amino acids, structural changes) in comparison with normal breast tissues. This fact

  20. Infrared absorption spectroscopy and chemical kinetics of free radicals

    International Nuclear Information System (INIS)

    Curl, R.F.; Glass, G.P.

    1991-01-01

    A new channel producing ketenyl radical (HCCO) was discovered in the flash photolysis of ketene at 193 nm. H 2 CCO + hν(193 nm) → H + HCCO by observation near 2020 cm -1 of the infrared fundamental of ketenyl corresponding to the antisymmetric motion of the heavy atoms. This band has been partially rotationally analyzed and the rate constant for the reaction of ketenyl with NO has been determined. The OH stretching fundamental of hydroxymethyl radical (CH 2 OH) has been observed near 3600 cm -1 producing the radical either by the excimer flash photolysis of acetol (CH 3 COCH 2 OH) or by Cl atom abstraction of a methyl hydrogen from methanol. The assignment of the spectrum to CH 2 OH was confirmed by the agreement of the rate constant for the reaction of the species with O 2 with the literature value. The mechanism of the reaction of C 2 H with O 2 has been explored. There appear to be two channels producing CO product: a fast, direct one producing highly vibrationally excited CO up to v = 6 at the same rate C 2 H disappears and a slow, indirect one producing primarily ground state CO on a much longer timescale than the disappearance of C 2 H. The rate constants for the reactions of C 2 H with CH 4 , C 2 H 6 , C 2 H 4 , D 2 , and CO were determined by following the time decay of a C 2 H infrared transient absorption line originating from the ground vibronic state using diode laser spectroscopy creating the C 2 H by excimer laser flash photolysis (ArF, 193 nm) of CF 3 CCH. The branching ratio into OH of the reaction between NH 2 , and NO, which is the channel thought to propagate the radical chain of the Thermal deNOx process, has been measured up to 925 degree C. The OH yield thus obtained appears to be too small to maintain the process. 5 refs., 3 figs

  1. ARTIFICIAL NEURAL-NETWORK PREDICTIONS OF URINARY CALCULUS COMPOSITIONS ANALYZED WITH INFRARED-SPECTROSCOPY

    NARCIS (Netherlands)

    VOLMER, M; WOLTHERS, BG; METTING, HJ; DEHAAN, THY; COENEGRACHT, PMJ; VANDERSLIK, W

    Infrared (IR) spectroscopy is used to analyze urinary calculus (renal stone) constituents. However, interpretation of IR spectra for quantifying urinary calculus constituents in mixtures is difficult, requiring expert knowledge by trained technicians. In our laboratory IR spectra of unknown calculi

  2. Near-infrared spectroscopy in the routine diagnostic work-up of patients with leg ischaemia

    NARCIS (Netherlands)

    Ubbink, D. T.; Koopman, B.

    2006-01-01

    OBJECTIVE: To examine the reproducibility and clinical applicability of near-infrared spectroscopy (NIRS) in patients with leg ischaemia. DESIGN: Prospective comparative diagnostic study. MATERIALS AND METHODS: Routinely measured peripheral blood pressure and microcirculatory parameters were

  3. Photoselective discrimination of matrix isolated respiratory enzymes from E. coli by Fourier transform infrared spectroscopy

    Science.gov (United States)

    Hill, John J.; Gennis, R. B.; Alben, James O.

    1992-03-01

    Photodissociation of heme-CO complexes in bacterial membranes was measured by Fourier transform infrared spectroscopy. Wavelength of the photodissociating light and selected cryogenic temperatures were used to distinguish multiple forms of respiratory enzymes (cytochromes).

  4. Photon-Counting Microwave Kinetic Inductance Detectors (MKIDs) for High Resolution Far-Infrared Spectroscopy

    Data.gov (United States)

    National Aeronautics and Space Administration — We are developing ultrasensitive Microwave Kinetic Inductance Detectors (MKIDs) for high resolution far-infrared spectroscopy applications, with a long-term goal of...

  5. Cutaneous vasoconstriction affects near-infrared spectroscopy determined cerebral oxygen saturation during administration of norepinephrine

    DEFF Research Database (Denmark)

    Sørensen, Niels Henrik Breiner; Secher, Niels H; Siebenmann, Christoph

    2012-01-01

    Perioperative optimization of spatially resolved near-infrared spectroscopy determined cerebral frontal lobe oxygenation (scO2) may reduce postoperative morbidity. Norepinephrine is routinely administered to maintain cerebral perfusion pressure and, thereby, cerebral blood flow, but norepinephrin...

  6. Nonlinear optics in germanium mid-infrared fiber material: Detuning oscillations in femtosecond mid-infrared spectroscopy

    Directory of Open Access Journals (Sweden)

    M. Ordu

    2017-09-01

    Full Text Available Germanium optical fibers hold great promise in extending semiconductor photonics into the fundamentally important mid-infrared region of the electromagnetic spectrum. The demonstration of nonlinear response in fabricated Ge fiber samples is a key step in the development of mid-infrared fiber materials. Here we report the observation of detuning oscillations in a germanium fiber in the mid-infrared region using femtosecond dispersed pump-probe spectroscopy. Detuning oscillations are observed in the frequency-resolved response when mid-infrared pump and probe pulses are overlapped in a fiber segment. The oscillations arise from the nonlinear frequency resolved nonlinear (χ(3 response in the germanium semiconductor. Our work represents the first observation of coherent oscillations in the emerging field of germanium mid-infrared fiber optics.

  7. Effect of mechanical optical clearing on near-infrared spectroscopy.

    Science.gov (United States)

    Idelson, Christopher R; Vogt, William C; King-Casas, Brooks; LaConte, Stephen M; Rylander, Christopher G

    2015-08-01

    Near-infrared Spectroscopy (NIRS) is a broadly utilized technology with many emerging applications including clinical diagnostics, sports medicine, and functional neuroimaging, to name a few. For functional brain imaging NIR light is delivered at multiple wavelengths through the scalp and skull to the brain to enable spatial oximetry measurements. Dynamic changes in brain oxygenation are highly correlated with neural stimulation, activation, and function. Unfortunately, NIRS is currently limited by its low spatial resolution, shallow penetration depth, and, perhaps most importantly, signal corruption due to light interactions with superficial non-target tissues such as scalp and skull. In response to these issues, we have combined the non-invasive and rapidly reversible method of mechanical tissue optical clearing (MOC) with a commercially available NIRS system. MOC utilizes a compressive loading force on tissue, causing the lateral displacement of blood and water, while simultaneously thinning the tissue. A MOC-NIRS Breath Hold Test displayed a ∼3.5-fold decrease in the time-averaged standard deviation between channels, consequentially promoting greater channel agreement. A Skin Pinch Test was implemented to negate brain and muscle activity from affecting the recorded signal. These results displayed a 2.5-3.0 fold increase in raw signal amplitude. Existing NIRS instrumentation has been further integrated within a custom helmet device to provide a uniform force distribution across the NIRS sensor array. These results showed a gradual decrease in time-averaged standard deviation among channels with an increase in applied pressure. Through these experiments, and the development of the MOC-NIRS helmet device, MOC appears to provide enhancement of NIRS technology beyond its current limitations. © 2015 Wiley Periodicals, Inc.

  8. Near infrared spectroscopy: experience on esophageal atresia infants.

    Science.gov (United States)

    Conforti, Andrea; Giliberti, Paola; Mondi, Vito; Valfré, Laura; Sgro, Stefania; Picardo, Sergio; Bagolan, Pietro; Dotta, Andrea

    2014-07-01

    Near infrared spectroscopy (NIRS) gradually became the gold standard to guide anesthetic conduction during cardiac surgery, and nowadays, it is commonly utilized to monitor cerebral oxygenation during invasive procedures. Preterm babies also benefit from this non-invasive monitoring to prevent neurological sequelae. However, few data are available on NIRS perioperative changes in newborn operated on for major non-cardiac malformations. Aim of the present study is to evaluate the usefulness of NIRS assessment during and after esophageal atresia (EA) correction and its correlation with clinical behavior. All patients treated for EA from May 2011 were prospectively enrolled in the study. All infants underwent "open" correction of EA and cerebral and splanchnic NIRS was applied up to 48h after surgery. Body temperature, blood pressure, pH, paSO2, paCO2, and urine output, were recorded during NIRS registration. Mann-Whitney test and 1-way ANOVA (Kruskal-Wallis and Dunn's multiple comparison tests) were used as appropriate. Seventeen patients were enrolled into the study and 13 were available for the analysis. Four patients were excluded because of poor NIRS registration. Cerebral and renal NIRS values significantly decreased at 24h post-operatively (pNIRS remained stable during the study period. Urine output significantly decreased. Our data confirmed that perioperative monitoring of tissue oxygenation during neonatal esophageal surgery is feasible. Cerebral and renal NIRS evaluation, as for cardiac patients, may guide anesthetic conduction and postoperative care. Out data suggest a newly observed hemodynamic reorganization during esophageal surgery involving renal and, probably, splanchnic blood flow redistribution, demonstrated by the observed subsequent significant post-operative transitory decrease in urinary output. Reducing the decrement in cerebral and renal NIRS values may improve, and ideally eliminate, the well-known late sequelae linked to hemodynamic changes

  9. TATP and TNT detection by mid-infrared transmission spectroscopy

    Science.gov (United States)

    Herbst, Johannes; Hildenbrand, Jürgen; Wöllenstein, Jürgen; Lambrecht, Armin

    2009-05-01

    Sensitive and fast detection of explosives remains a challenge in many threat scenarios. Fraunhofer IPM works on two different detection methods using mid-infrared absorption spectroscopy in combination with quantum cascade lasers (QCL). 1. stand-off detection for a spatial distance of several meters and 2. contactless extractive sampling for short distance applications. The extractive method is based on a hollow fiber that works as gas cell and optical waveguide for the QCL light. The samples are membranes contaminated with the explosives and real background. The low vapor pressure of TNT requires a thermal desorbtion to introduce gaseous TNT and TATP into the heated fiber. The advantage of the hollow fiber setup is the resulting small sample volume. This enables a fast gas exchange rate and fast detection in the second range. The presented measurement setup achieves a detection limit of around 58 ng TNT and 26 ng TATP for 1 m hollow fiber. TATP - an explosive with a very high vapor pressure in comparison to TNT or other explosives - shows potential for an adequate concentration in gas phase under normal ambient conditions and thus the possibility of an explosive detection using open path absorption of TATP at 8 μm wavelength. In order to lower the cross sensitivities or interferents with substances with an absorption in the wavelength range of the TATP absorption the probe volume is checked synchronously by a second QCL emitting beside the target absorption wavelength. In laboratory measurements a detection limit of 5 ppm*m TATP are achieved.

  10. Effect of motion artifacts and their correction on near-infrared spectroscopy oscillation data

    DEFF Research Database (Denmark)

    Selb, Juliette; Yücel, Meryem A; Phillip, Dorte

    2015-01-01

    Functional near-infrared spectroscopy is prone to contamination by motion artifacts (MAs). Motion correction algorithms have previously been proposed and their respective performance compared for evoked rain activation studies. We study instead the effect of MAs on "oscillation" data which...... in the frequency band around 0.1 and 0.04 Hz, suggesting a physiological origin for the difference. We emphasize the importance of considering MAs as a confounding factor in oscillation-based functional near-infrared spectroscopy studies....

  11. 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).

  12. Understanding ion association states and molecular dynamics using infrared spectroscopy

    Science.gov (United States)

    Masser, Hanqing

    A molecular level understanding of the ion transport mechanism within polymer electrolytes is crucial to the further development for advanced energy storage applications. This can be achieved by the identification and quantitative measurement of different ion species in the system and further relating them to the ion conductivity. In the first part of this thesis, research is presented towards understanding the ion association states (free ions, ion pairs and ion aggregates) in ionomer systems, and the correlation of ion association states, ion conduction, polymer dynamics, and morphology. Ion conductivity in ionomers can be improved by lowering glass transition temperature, increasing polymer ion solvation ability, and adjusting ionomer structural variables such as ion content, cation type and side chain structure. These effects are studied in three ionomer systems respectively, using a combination of characterization methods. Fourier Transform Infrared Spectroscopy (FTIR) identifies and quantifies the ion association states. Dielectric Spectroscopy (DRS) characterizes ion conductivity and polymer and ion dynamics. X-ray scattering reveals changes in morphology. The influence of a cation solvating plasticizer on a polyester ionomer is systematically investigated with respect to ion association states, ion and polymer dynamics and morphology. A decrease in the number ratio of ion aggregates with increased plasticizer content and a slight increase at elevated temperature are observed in FTIR. Similar results are also detected by X-ray scattering. As determined from dielectric spectroscopy, ion conductivity increases with plasticizer content, in accordance with the decrease in glass transition temperature. Research on copolymer of poly(ethylene oxide) (PEO) and poly(tetramethylene oxide) (PTMO) based ionomers further develops an understanding of the trade-off between ion solvation and segmental dynamics. Upon the incorporation of PTMO, the majority of the PTMO

  13. Development of a neurofeedback protocol targeting the frontal pole using near-infrared spectroscopy.

    Science.gov (United States)

    Kinoshita, Akihide; Takizawa, Ryu; Yahata, Noriaki; Homae, Fumitaka; Hashimoto, Ryuichiro; Sakakibara, Eisuke; Kawasaki, Shingo; Nishimura, Yukika; Koike, Shinsuke; Kasai, Kiyoto

    2016-11-01

    Neurofeedback has been studied with the aim of controlling cerebral activity. Near-infrared spectroscopy is a non-invasive neuroimaging technique used for measuring hemoglobin concentration changes in cortical surface areas with high temporal resolution. Thus, near-infrared spectroscopy may be useful for neurofeedback, which requires real-time feedback of repeated brain activation measurements. However, no study has specifically targeted neurofeedback, using near-infrared spectroscopy, in the frontal pole cortex. We developed an original near-infrared spectroscopy neurofeedback system targeting the frontal pole cortex. Over a single day of testing, each healthy participant (n = 24) received either correct or incorrect (Sham) feedback from near-infrared spectroscopy signals, based on a crossover design. Under correct feedback conditions, significant activation was observed in the frontal pole cortex (P = 0.000073). Additionally, self-evaluation of control and metacognitive beliefs were associated with near-infrared spectroscopy signals (P = 0.006). The neurofeedback system developed in this study might be useful for developing control of frontal pole cortex activation. © 2016 The Authors. Psychiatry and Clinical Neurosciences © 2016 Japanese Society of Psychiatry and Neurology.

  14. Discriminating oat and groat kernels from other grains using near infrared spectroscopy

    Science.gov (United States)

    Oat and groats can be discriminated from other grains such as barley, wheat, rye, and triticale (non-oats) using near infrared spectroscopy. The two instruments tested were the manual version of the ARS-USDA Single Kernel Near Infrared (SKNIR) and the automated QualySense QSorter Explorer high-speed...

  15. 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-...

  16. 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.

  17. Infrared and Raman spectroscopy: principles and spectral interpretation

    National Research Council Canada - National Science Library

    Larkin, Peter

    2011-01-01

    .... The book reviews basic principles, instrumentation, sampling methods, quantitative analysis, origin of group frequencies and qualitative interpretation using generalized Infrared (IR) and Raman spectra...

  18. Infrared spectroscopy technique for the nondestructive measurement of fat content in milk powder.

    Science.gov (United States)

    Wu, D; Feng, S; He, Y

    2007-08-01

    The aim of this study was to investigate the potential of the infrared spectroscopy technique for nondestructive measurement of fat content in milk powder. Fat is an important component of milk powder. It is very important to be able to detect the fat content in milk powder using a rapid and nondestructive method. Near and mid infrared spectroscopy techniques were used to achieve this purpose. Least-squares support vector machine (LS-SVM) was applied to developing the fat-content prediction model based on the infrared spectral transmission values. The results based on LS-SVM were better than those of back-propagation artificial neural networks. The determination coefficient for prediction of the results predicted by the LS-SVM model was 0.9796 and the root mean square error was 0.836708. It was concluded that infrared spectroscopy technique could quantify the fat content in milk powder rapidly and nondestructively. The process is simple and easy to operate. Moreover, the prediction results were compared between near infrared and mid infrared spectral data. The results showed that the performances of model with both mid infrared and near infrared spectral data were a little worse than that of the whole infrared spectral data. The results could be beneficial for designing a simple and nondestructive spectral sensor for the quantification of fat content in milk powder.

  19. 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.

  20. 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.

  1. Recent advances in the use of non-destructive near infrared spectroscopy on intact olive fruits

    Science.gov (United States)

    The objective of this review is to illustrate the state of the art in the use of non-destructive near infrared (NIR) spectroscopy for quality evaluation of intact fruit in the olive industry. First, the most recent studies regarding the application of non-destructive NIR spectroscopy methods to asse...

  2. Species authentication and geographical origin discrimination of herbal medicines by near infrared spectroscopy: A review.

    Science.gov (United States)

    Wang, Pei; Yu, Zhiguo

    2015-10-01

    Near infrared (NIR) spectroscopy as a rapid and nondestructive analytical technique, integrated with chemometrics, is a powerful process analytical tool for the pharmaceutical industry and is becoming an attractive complementary technique for herbal medicine analysis. This review mainly focuses on the recent applications of NIR spectroscopy in species authentication of herbal medicines and their geographical origin discrimination.

  3. TIME-RESOLVED INFRARED SPECTROSCOPY IN THE U121R BEAMLINE AT THE NSLS

    Energy Technology Data Exchange (ETDEWEB)

    CARR,G.L.; LAVEIGNE,J.D.; LOBO,R.P.S.M.; REITZE,D.H.; TANNER,D.B.

    1999-07-19

    A facility for performing time-resolved infrared spectroscopy has been developed at the NSLS, primarily at beamline U12IR. The pulsed IR light from the synchrotron is used to perform pump-probe spectroscopy. The authors present here a description of the facility and results for the relaxation of photoexcitations in both a semiconductor and superconductor.

  4. TIME-RESOLVED INFRARED SPECTROSCOPY IN THE U121R BEAMLINE AT THE NSLS

    International Nuclear Information System (INIS)

    CARR, G.L.; LAVEIGNE, J.D.; LOBO, R.P.S.M.; REITZE, D.H.; TANNER, D.B.

    1999-01-01

    A facility for performing time-resolved infrared spectroscopy has been developed at the NSLS, primarily at beamline U12IR. The pulsed IR light from the synchrotron is used to perform pump-probe spectroscopy. The authors present here a description of the facility and results for the relaxation of photoexcitations in both a semiconductor and superconductor

  5. Far infrared and terahertz spectroscopy of ferroelectric soft modes in thin films: a review

    Czech Academy of Sciences Publication Activity Database

    Petzelt, Jan; Kamba, Stanislav

    2016-01-01

    Roč. 503, č. 1 (2016), s. 19-44 ISSN 0015-0193 R&D Projects: GA ČR GA15-08389S Institutional support: RVO:68378271 Keywords : soft mode * central mode * ferroelectric thin film * terahertz spectroscopy * far-infrared spectroscopy Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 0.551, year: 2016

  6. NEAR-INFRARED SPECTROSCOPY OF POST-AGB STARS

    NARCIS (Netherlands)

    OUDMAIJER, RD; WATERS, LBFM; VANDERVEEN, WECJ; GEBALLE, TR

    The results of a medium resolution near-infrared spectral survey of 18 post-AGB candidate stars are presented. Most of the stars have near-infrared hydrogen lines in absorption, which is normal for their spectral types. Three stars, HD 101584, HD 179821 and HD 170756 have the CO first overtone bands

  7. Laboratory Infrared Spectroscopy of Gaseous Negatively Charged Polyaromatic Hydrocarbons

    NARCIS (Netherlands)

    Gao, J.; Berden, G.; Oomens, J.

    2014-01-01

    Based largely on infrared spectroscopic evidence, polycyclic aromatic hydrocarbon (PAH) molecules are now widely accepted to occur abundantly in the interstellar medium. Laboratory infrared spectra have been obtained for a large variety of neutral and cationic PAHs, but data for anionic PAHs are

  8. Determination of plant silicon content with near infrared reflectance spectroscopy

    Directory of Open Access Journals (Sweden)

    Adriaan eSmis

    2014-09-01

    Full Text Available Silicon (Si is one of the most common elements in the earth bedrock, and its continental cycle is strongly biologically controlled. Yet, research on the biogeochemical cycle of Si in ecosystems is hampered by the time and cost associated with the currently used chemical analysis methods. Here, we assessed the suitability of Near Infrared Reflectance Spectroscopy (NIRS for measuring Si content in plant tissues. NIR spectra depend on the characteristics of the present bonds between H and N, C and O, which can be calibrated against concentrations of various compounds. Because Si in plants always occurs as hydrated condensates of orthosilicic acid (Si(OH4, linked to organic biomolecules, we hypothesized that NIRS is suitable for measuring Si content in plants across a range of plant species.We based our testing on 442 samples of 29 plant species belonging to a range of growth forms. We calibrated the NIRS method against a well-established plant Si analysis method by using partial least-squares regression. Si concentrations ranged from detection limit (0.24 ppmSi to 7.8% Si on dry weight and were well predicted by NIRS. The model fit with validation data was good across all plant species (n=141, R2=0.90, RMSEP=0.24, but improved when only graminoids were modeled (n=66, R2=0.95, RMSEP=0.10. A species specific model for the grass Deschampsia cespitosa showed even slightly better results than the model for all graminoids (n=16, R2=0.93, RMSEP=0.015.We show for the first time that NIRS is applicable for determining plant Si concentration across a range of plant species and growth forms, and represents a time- and cost-effective alternative to the chemical Si analysis methods. As NIRS can be applied concurrently to a range of plant organic constituents, it opens up unprecedented research possibilities for studying interrelations between Si and other plant compounds in vegetation, and for addressing the role of Si in ecosystems across a range of Si

  9. An Overview of the Evolution of Infrared Spectroscopy Applied to Bacterial Typing.

    Science.gov (United States)

    Quintelas, Cristina; Ferreira, Eugénio C; Lopes, João A; Sousa, Clara

    2018-01-01

    The sustained emergence of new declared bacterial species makes typing a continuous challenge for microbiologists. Molecular biology techniques have a very significant role in the context of bacterial typing, but they are often very laborious, time consuming, and eventually fail when dealing with very closely related species. Spectroscopic-based techniques appear in some situations as a viable alternative to molecular methods with advantages in terms of analysis time and cost. Infrared and mass spectrometry are among the most exploited techniques in this context: particularly, infrared spectroscopy emerged as a very promising method with multiple reported successful applications. This article presents a systematic review on infrared spectroscopy applications for bacterial typing, highlighting fundamental aspects of infrared spectroscopy, a detailed literature review (covering different taxonomic levels and bacterial species), advantages, and limitations of the technique over molecular biology methods and a comparison with other competing spectroscopic techniques such as MALDI-TOF MS, Raman, and intrinsic fluorescence. Infrared spectroscopy possesses a high potential for bacterial typing at distinct taxonomic levels and worthy of further developments and systematization. The development of databases appears fundamental toward the establishment of infrared spectroscopy as a viable method for bacterial typing. © 2017 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  10. 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.

  11. Infrared Spectroscopy of a Hyper-Velocity Shock

    National Research Council Canada - National Science Library

    Erdman, Peter

    2001-01-01

    .... We have developed the experimental techniques and the instruments necessary to expand those earlier experiments into the infrared portion of the spectrum where ground-state, molecular, ro-vibrational...

  12. Far-infrared spectroscopy of neutral interstellar clouds

    International Nuclear Information System (INIS)

    Watson, D.M.

    1984-01-01

    A summary is presented of airborne observations of the far-infrared fine structure lines of neutral atomic oxygen and singly-ionized carbon, and of the far-infrared rotational lines of CO, OH, NH 3 and HD, together with a brief description of the analysis and interpretation of the spectra. The 'state of the art' in instrument performance and the prospects for improved sensitivity and resolution are also surveyed. (Auth.)

  13. DNA Infrared Absorbency Detection using Photopyroelectric Technique and FTIR Spectroscopy

    OpenAIRE

    Ebu-TEİR, Musa; Abu-TAHA, Mohammad; Al-JAMAL, Atef; EİDEH, H.

    2008-01-01

    Absorbencies of different DNA samples were studied using the well known photopyroelectric (PPE) technique and Fourier Transform Infrared (FTIR) spectrometer. In the fi rst method, wideband radiation absorbance from an infrared (IR) pulsed wideband source (PWBS) by DNA samples were detected and compared with FTIR spectrum. It was shown that the PPE technique results are useful and comparable to FTIR in distinguishing different DNA samples of biological interests

  14. Far-infrared spectroscopy of thermally annealed tungsten silicide films

    International Nuclear Information System (INIS)

    Amiotti, M.; Borghesi, A.; Guizzetti, G.; Nava, F.; Santoro, G.

    1991-01-01

    The far-infrared transmittance spectrum of tungsten silicide has been observed for the first time. WSi 2 polycrystalline films were prepared by coevaporation and chemical-vapour deposition on silicon wafers, and subsequently thermally annealed at different temperatures. The observed structures are interpreted, on the basis of the symmetry properties of the crystal, such as infrared-active vibrational modes. Moreover, the marked lineshape dependence on annealing temperature enables this technique to analyse the formation of the solid silicide phases

  15. Broadband integrated mid infrared light sources as enabling technology for point of care mid-infrared spectroscopy

    Science.gov (United States)

    2017-08-20

    DD-MM-YYYY)      06-09-2017 2. REPORT TYPE Final 3. DATES COVERED (From - To) 01 Aug 2016 to 31 Jul 2017 4. TITLE AND SUBTITLE Broadband integrated ...AFRL-AFOSR-JP-TR-2017-0061 Broadband integrated mid-infrared light sources as enabling technology for point-of-care mid- infrared spectroscopy Alex...Fuerbach MACQUARIE UNIVERSITY Final Report 08/20/2017 DISTRIBUTION A: Distribution approved for public release. AF Office Of Scientific Research (AFOSR

  16. Identification of anisodamine tablets by Raman and near-infrared spectroscopy with chemometrics.

    Science.gov (United States)

    Li, Lian; Zang, Hengchang; Li, Jun; Chen, Dejun; Li, Tao; Wang, Fengshan

    2014-06-05

    Vibrational spectroscopy including Raman and near-infrared (NIR) spectroscopy has become an attractive tool for pharmaceutical analysis. In this study, effective calibration models for the identification of anisodamine tablet and its counterfeit and the distinguishment of manufacturing plants, based on Raman and NIR spectroscopy, were built, respectively. Anisodamine counterfeit tablets were identified by Raman spectroscopy with correlation coefficient method, and the results showed that the predictive accuracy was 100%. The genuine anisodamine tablets from 5 different manufacturing plants were distinguished by NIR spectroscopy using partial least squares discriminant analysis (PLS-DA) models based on interval principal component analysis (iPCA) method. And the results showed the recognition rate and rejection rate were 100% respectively. In conclusion, Raman spectroscopy and NIR spectroscopy combined with chemometrics are feasible and potential tools for rapid pharmaceutical tablet discrimination. Copyright © 2014 Elsevier B.V. All rights reserved.

  17. Infrared spectroscopy of solid hydrogen sulfide and deuterium sulfide.

    Science.gov (United States)

    Fathe, Kristin; Holt, Jennifer S; Oxley, Susan P; Pursell, Christopher J

    2006-09-21

    The infrared spectra of solid hydrogen sulfide (H2S) and deuterium sulfide (D2S) were collected at very low temperatures. Vapor deposition of thin films at the lowest temperature of 10 K produced amorphous solids while deposition at 70 K yielded the crystalline phase III. Infrared interference fringe patterns produced by the films during deposition were used to determine the film thickness. Careful measurement of the integrated absorbance peaks, along with the film thickness, allowed determination of the integrated band intensities. This report represents the first complete presentation of the infrared spectra of the amorphous solids. Observations of peaks near 3.915 and 1.982 microm (ca. 2554 and 5045 cm(-1), respectively) may be helpful in the conclusive identification of solid hydrogen sulfide on the surface of Io, a moon of Jupiter.

  18. New applications of near infrared spectroscopy in the food industry

    International Nuclear Information System (INIS)

    Groenewald, C.A.

    1984-01-01

    The near infrared spectroscopic method of analysis was initially developed for rapid analyses of protein in wheat. A brief explanation of the theory and history of near infrared spectroscopic analysis will be given. Research was done on the application of near infrared spectroscopic (NIR) in the food industry. Especially exciting was the breakthrough achieved in applying NIR to determine the dry solid content of bread. Such application could revolutionise the baking industry. Results will also be presented of research done on the application of NIR techniques for the determination of protein and fat in bread based on dry matter; hardness in wheat; absorption and sedimentation in pasta products; and use in process control in snack products manufacture. The limitations that were found in the application of NIR analysis will also be covered. The developments in NIR technology may result in these methods becoming standard practice in many food laboratories

  19. Atomic force microscope infrared spectroscopy of griseofulvin nanocrystals.

    Science.gov (United States)

    Harrison, Aaron J; Bilgili, Ecevit A; Beaudoin, Stephen P; Taylor, Lynne S

    2013-12-03

    The goal of this work was to evaluate the ability of photothermal-induced resonance (PTIR) to measure the local infrared absorption spectra of crystalline organic drug nanoparticles embedded within solid matrices. Herein, the first reports of the chemical characterization of sub-100 nm organic crystals are described; infrared spectra of 90 nm griseofulvin particles were obtained, confirming the chemical resolution of PTIR beyond the diffraction limit. Additionally, particle size distributions via dynamic light scattering and PTIR image analysis were found to be similar, suggesting that the PTIR measurements are not significantly affected by inhomogeneous infrared absorptivity of this system. Thus as medical applications increasingly emphasize localized drug delivery via micro/nanoengineered structures, PTIR can be used to unambiguously chemically characterize drug formulations at these length scales.

  20. High-resolution infrared spectroscopy of solid hydrogen

    OpenAIRE

    Chan, Man-Chor; Okumura, Mitchio; Gabrys, Charles M.; Xu, Li-Wei; Rehfuss, Brent D.; Oka, Takeshi

    1991-01-01

    A rich spectrum composed of hundreds of sharp features (HWHM ~< 20 MHz) has been observed in the fundamental Q branch of solid H2, representing the first case of solid phase linear spectroscopy in which the high-resolution capabilities of laser spectroscopy have been fully exploited. These features are interpreted as splittings of o-H2 pairs based on the work by Hardy, Berlinsky, and Harris.

  1. Background and state of the art of near infrared spectroscopy in the forest sector base

    International Nuclear Information System (INIS)

    Muñiz, G.I.B. de; Magalhães, W.L.E.; Carneiro, M.E.; Viana, L.C.

    2012-01-01

    The knowledge of wood properties is the fundamental importance for the indication of the potential and use of this material. In the search for new alternatives for a fast, simple and reliable characterization, there are the non-destructive evaluations of wood. The near infrared spectroscopy (NIRS) has been used as a non-destructive method that allows qualitative and quantitative information of the constituents of biomass through the interaction of electromagnetic waves with near-infrared next to the sample. This work aims to provide a review of the technique of near infrared spectroscopy and its application in forestry. The technique is used in virtually all areas due to the level of development that this technology has reached in recent years. NIR spectroscopy has proved a quick and efficient replacement of several tests that determine the quality of the wood. This is a literature review and state of the art on the theme [pt

  2. Near-Infrared Spectroscopy of Himalia An Irregular Jovian Satellite

    Science.gov (United States)

    Brown, R. H.; Baines, K.; Bellucci, G.; Bibring, J.-P.; Buratti, B.; Capaccioni, F.; Cerroni, P.; Clark, R.; Coradini, A.; Cruikshank, D.

    2002-01-01

    Spectra of the irregular Jovian satellite Himalia were obtained with the Visual and Infrared Mapping Spectrometer (VIMS) onboard Cassini during the Jupiter Flyby on December 18-19, 2000. These are the first spectral data of an irregular satellite beyond 2.5 microns. Additional information is contained in the original extended abstract.

  3. Thermal Infrared Spectroscopy of Saturn and Titan from Cassini

    Science.gov (United States)

    Jennings, Donald E.; Brasunas, J. C.; Carlson, R. C.; Flasar, F. M.; Kunde, V. G.; Mamoutkine, A. A.; Nixon, A.; Pearl, J. C.; Romani, P. N.; Simon-Miller, A. A.; hide

    2009-01-01

    The Cassini spacecraft completed its nominal mission at Saturn in 2008 and began its extended mission. Cassini carries the Composite Infrared Spectrometer (CIRS); a Fourier transform spectrometer that measures the composition, thermal structure and dynamics of the atmospheres of Saturn and Titan, and also the temperatures of other moons and the rings.

  4. Non-linear calibration models for near infrared spectroscopy

    DEFF Research Database (Denmark)

    Ni, Wangdong; Nørgaard, Lars; Mørup, Morten

    2014-01-01

    by ridge regression (RR). The performance of the different methods is demonstrated by their practical applications using three real-life near infrared (NIR) data sets. Different aspects of the various approaches including computational time, model interpretability, potential over-fitting using the non...

  5. Far infrared submillimeter spectroscopy with an optically pumped laser

    International Nuclear Information System (INIS)

    Bean, B.L.; Perkowitz, S.

    1979-01-01

    The pumped laser theory of operation is discussed along with the availability of submillimeter lines and media. Spectroscopic systems are described including a pump laser, far infrared laser, and system electronics for laser stabilization and FIR detection. Emphasis is placed on system performance and spectroscopic applications

  6. Lanthanum trilactate: Vibrational spectroscopic study - infrared/Raman spectroscopy

    Czech Academy of Sciences Publication Activity Database

    Švecová, M.; Novák, Vít; Bartůněk, V.; Člupek, M.

    2016-01-01

    Roč. 87, Nov (2016), s. 123-128 ISSN 0924-2031 Institutional support: RVO:61388963 Keywords : lanthanum trilactate * tris(2-hydroxypropanoato-O1,O2) * lanthanum tris[2-(hydroxy-kappa O)propanoato-kappa O] * Raman spectra * infrared spectra * DFT Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 1.740, year: 2016

  7. Spectroscopy

    DEFF Research Database (Denmark)

    Berg, Rolf W.

    This introductory booklet covers the basics of molecular spectroscopy, infrared and Raman methods, instrumental considerations, symmetry analysis of molecules, group theory and selection rules, as well as assignments of fundamental vibrational modes in molecules.......This introductory booklet covers the basics of molecular spectroscopy, infrared and Raman methods, instrumental considerations, symmetry analysis of molecules, group theory and selection rules, as well as assignments of fundamental vibrational modes in molecules....

  8. 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.

  9. 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....

  10. 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.

  11. [Effects of spectral pretreatment on the prediction of crystallinity of wood cellulose using near infrared spectroscopy].

    Science.gov (United States)

    Jiang, Ze-hui; Fei, Ben-hua; Yang, Zhong

    2007-03-01

    The crystallinity of wood has an important effect on the physical, mechanical and chemical properties of cellulose fibers. The aims of this study were to investigate the ability of near infrared spectroscopy (NIR) to predict the crystallinity of wood cellulose and the effect of spectral pretreatment on the prediction of crystallinity in wood cellulose using near infrared spectroscopy (NIR). Near infrared diffuse reflectance spectra were collected from wood powder with a fiber-optical probe and the crystallinity of wood was determined by X-ray diffractometer (XRD) in this experiment. The results showed that near infrared spectroscopy coupled with partial least square (PLS) regression could be correlated with the crystallinity of plantation wood, and the ability of NIR prediction based on original spectra was better than that based on the first derivative or second derivative treated spectra. There was a significant correlation between NIR spectra and XRD determined crystallinity with a correlationcoefficient of 0.950 and a low RMSEP. Near infrared spectroscopy coupled with multivariate data anlaysis has proven to be an accurate and fast method for rapid prediction of wood crystallinity.

  12. [Application of near-infrared diffuse reflectance spectroscopy to the detection and identification of transgenic corn].

    Science.gov (United States)

    Rui, Yu-kui; Luo, Yun-bo; Huang, Kun-lun; Wang, Wei-min; Zhang, Lu-da

    2005-10-01

    With the rapid development of the GMO, more and more GMO food has been pouring into the market. Much attention has been paid to GMO labeling under the controversy of GMO safety. Transgenic corns and their parents were scanned by continuous wave of near infrared diffuse reflectance spectroscopy range of 12000-4000 cm(-1); the resolution was 4 cm(-1); scanning was carried out for 64 times; BP algorithm was applied for data processing. The GMO food was easily resolved. Near-infrared diffuse reflectance spectroscopy is unpolluted and inexpensive compared with PCR and ELISA, so it is a very promising detection method for GMO food.

  13. Characterization of the functional near-infrared spectroscopy response to nociception in a pediatric population.

    Science.gov (United States)

    Olbrecht, Vanessa A; Jiang, Yifei; Viola, Luigi; Walter, Charlotte M; Liu, Hanli; Kurth, Charles D

    2018-02-01

    Near-infrared spectroscopy can interrogate functional optical signal changes in regional brain oxygenation and blood volume to nociception analogous to functional magnetic resonance imaging. This exploratory study aimed to characterize the near-infrared spectroscopy signals for oxy-, deoxy-, and total hemoglobin from the brain in response to nociceptive stimulation of varying intensity and duration, and after analgesic and neuromuscular paralytic in a pediatric population. We enrolled children 6 months-21 years during propofol sedation before surgery. The near-infrared spectroscopy sensor was placed on the forehead and nociception was produced from an electrical current applied to the wrist. We determined the near-infrared spectroscopy signal response to increasing current intensity and duration, and after fentanyl, sevoflurane, and neuromuscular paralytic. Heart rate and arm movement during electrical stimulation was also recorded. The near-infrared spectroscopy signals for oxy-, deoxy-, and total hemoglobin were calculated as optical density*time (area under curve). During electrical stimulation, nociception was evident: tachycardia and arm withdrawal was observed that disappeared after fentanyl and sevoflurane, whereas after paralytic, tachycardia persisted while arm withdrawal disappeared. The near-infrared spectroscopy signals for oxy-, deoxy-, and total hemoglobin increased during stimulation and decreased after stimulation; the areas under the curves were greater for stimulations 30 mA vs 15 mA (13.9 [5.6-22.2], P = .0021; 5.6 [0.8-10.5], P = .0254, and 19.8 [10.5-29.1], P = .0002 for HbO 2 , Hb, and Hb T , respectively), 50 Hz vs 1 Hz (17.2 [5.8-28.6], P = .0046; 7.5 [0.7-14.3], P = .0314, and 21.9 [4.2-39.6], P = .0177 for HbO 2 , Hb, and Hb T , respectively) and 45 seconds vs 15 seconds (16.3 [3.4-29.2], P = .0188 and 22.0 [7.5-36.5], P = .0075 for HbO 2 and Hb T , respectively); the areas under the curves were attenuated by

  14. Communication: Evidence of structural phase transitions in silicalite-1 by infrared spectroscopy

    Science.gov (United States)

    Ballandras, Anthony; Weber, Guy; Paulin, Christian; Bellat, Jean-Pierre; Rotger, Maud

    2013-09-01

    The adsorption of trichloroethylene, perchloroethylene, and p-xylene on a MFI (Mobile-FIve) zeolite is studied using in situ FTIR spectroscopy at 298 K. Spectra of self-supported zeolites in contact with increasing pressures of pure gas were recorded at equilibrium in the mid-infrared domain. Analysis of the evolution of the shape and location of vibrational bands of the zeolite as a function of the amount adsorbed allowed the observation of structural modifications of the adsorbent for the first time by infrared spectroscopy.

  15. Sensing cocaine in saliva with infrared laser spectroscopy

    Science.gov (United States)

    Hans, Kerstin M.-C.; Müller, Matthias; Gianella, Michele; Wägli, Ph.; Sigrist, Markus W.

    2013-02-01

    Increasing numbers of accidents caused by drivers under the influence of drugs, raise drug tests to worldwide interest. We developed a one-step extraction technique for cocaine in saliva and analyzed reference samples with laser spectroscopy employing two different schemes. The first is based on attenuated total reflection (ATR), which is applied to dried samples. The second scheme uses transmission measurements for the analysis of liquid samples. ATR spectroscopy achieved a limit of detection (LOD) of 3μg/ml. The LOD for the transmission approach in liquid samples is cocaine. An improved stabilization of the set-up should lower the limit of detection significantly.

  16. Comparing predictive ability of Laser-Induced Breakdown Spectroscopy to Near Infrared Spectroscopy for soil texture and organic carbon determination

    DEFF Research Database (Denmark)

    Knadel, Maria; Peng, Yi; Gislum, René

    and texture was tested and compared with near infrared spectroscopy (NIRS) technique and traditional laboratory analysis. Calibration models were developed on 50 topsoil samples. For all properties except silt, higher predictive ability of LIBS than NIRS models was obtained. Successful calibrations indicate......Soil organic carbon (SOC) and texture have a practical value for agronomy and the environment. Thus, alternative techniques to supplement or substitute for the expensive conventional analysis of soil are developed. Here the feasibility of laser-induced breakdown spectroscopy (LIBS) to determine SOC...

  17. Comparing predictive ability of laser-induced breakdown spectroscopy to visible near-infrared spectroscopy for soil property determination

    DEFF Research Database (Denmark)

    Knadel, Maria; Gislum, René; Hermansen, Cecilie

    2017-01-01

    Soil organic carbon (SOC) and particle size fractions have a practical value for agronomy and the environment. Thus, alternative techniques to replace the expensive conventional analyses of soil are needed. Visible near-infrared reflectance spectroscopy (viseNIRS) has already shown potential...... for becoming an alternative method for soil analysis since it is faster and cheaper than conventional methods. Laser-induced breakdown spectroscopy (LIBS) is another cost-effective technique with potential for rapid analysis of elements present in the soil. In this study, the feasibility of using LIBS...

  18. Discrimination of mineral waters using near infrared spectroscopy and aquaphotomics

    Directory of Open Access Journals (Sweden)

    Munćan Jelena S.

    2014-01-01

    Full Text Available Despite that water is one of the most studied materials today its dynamic properties are still not well understood. Water state in human organism is of high importance for normal healthy functioning of human body. Different kinds of water are usually classified according to its present solutes, and concentrations of these solutes, but though it is known that water molecules can form clusters around present solutes, classification of waters based on types of water molecular organization and present clusters is not present in current literature. In this study we used multivariate analysis for classification of commercial mineral waters based on their near infrared spectra (NIR. Further, we applied Aquaphotomics, a new approach for interpretation of near infrared spectra of water, which gives insight into organization of water molecules in each of these waters.

  19. The importance of spectroscopy for infrared multiphoton excitation

    International Nuclear Information System (INIS)

    Fuss, W.; Kompa, K.L.

    1980-07-01

    It is substantiated by examples that the infrared spectra of molecules in high vibrational states are similar in width to those of the ground states. Therefore in order to explain collisionless infrared multiphoton excitation, the existence of resonance has to be checked, not only for the first three steps, but for all of them. That is, their (low resolution) spectra should be studied. This review summarizes the spectroscopic mechanisms contributing to multiphoton excitation, which have been suggested to date, including several kinds of rotational compensation and of vibrational level splitting, which cooperate to overcome the anharmonic shift. The spectral quasicontinuum, generated by intensity borrowing, must neither be very broad nor dense, and collisionless vibrational relaxation is only important at very high energies. Knowledge of relatively few spectroscopic detailes helps to understand many details and many differences in multiphoton excitatio. (orig.)

  20. Diagnosis with near infrared spectroscopy during minimally invasive procedures

    NARCIS (Netherlands)

    R. Nachabé (Rami)

    2012-01-01

    textabstractThe goal of this dissertation is to present the potential of diffuse optical spectroscopy technique to characterize and differentiate types of tissue, including dysplastic and cancerous tissues, when measuring the tissue spectra during a surgical or an interventional procedure under

  1. Infrared photon-echo spectroscopy of water : The thermalization effects

    NARCIS (Netherlands)

    Pshenichnikov, Maxim S.; Yeremenko, Sergey; Wiersma, Douwe A.; Kobayashi, Takayoshi; Kobayashi, Tetsuro; Nelson, Keith A.; Okada, Tadashi; Silvestri, Sandro De

    2005-01-01

    The larger part of the nonlinear response in IR photon-echo and transient-grating spectroscopy on HDO-D2O mixtures at > 1-ps delays is found to originate from the D2O refractive index modulation due to local volume thermalization.

  2. High resolution mid-infrared spectroscopy based on frequency upconversion

    DEFF Research Database (Denmark)

    Dam, Jeppe Seidelin; Hu, Qi; Tidemand-Lichtenberg, Peter

    2013-01-01

    signals can be analyzed. The obtainable frequency resolution is usually in the nm range where sub nm resolution is preferred in many applications, like gas spectroscopy. In this work we demonstrate how to obtain sub nm resolution when using upconversion. In the presented realization one object point...... high resolution spectral performance by observing emission from hot water vapor in a butane gas burner....

  3. Airborne measurement of aircraft emissions using passive infrared FT spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Haschberger, P.; Lindermeir, E.; Tank, V. [Deutsche Forschungsanstalt fuer Luft- und Raumfahrt e.V. (DLR), Wessling (Germany). Inst. fuer Optoelektronik

    1997-12-01

    For the first time emissions from aircraft jet engines where measured inflight by use of a Fourier transform infrared spectrometer. The instrument works in a non-intrusive mode observing the plume from the cabin and detecting the emitted infrared radiation. Applying nonlinear inversion techniques the concentrations and emission indices of the infrared active gas components are calculated. Besides CO, CO{sub 2}, and water vapor the separate acquisition of NO and NO{sub 2} is of special interest. For the ATTAS research aircraft as a first carrier the emission index of NO{sub x}, EI(NO{sub x}), is in the range of 5-7.5 g(NO{sub 2})/(kg fuel) with a ratio NO{sub 2}/NO{sub x} of 12-22%. The precision of the measurement system is better than 5%, the estimated accuracy depends on the species and ranges between 5-25%. This report presents a summary of the results including a comparison of measured data and ground-to-altitude correlation models. (orig.) 144 figs., 42 tabs., 497 refs.

  4. Infrared Multiple Photon Dissociation Spectroscopy Of Metal Cluster-Adducts

    Science.gov (United States)

    Cox, D. M.; Kaldor, A.; Zakin, M. R.

    1987-01-01

    Recent development of the laser vaporization technique combined with mass-selective detection has made possible new studies of the fundamental chemical and physical properties of unsupported transition metal clusters as a function of the number of constituent atoms. A variety of experimental techniques have been developed in our laboratory to measure ionization threshold energies, magnetic moments, and gas phase reactivity of clusters. However, studies have so far been unable to determine the cluster structure or the chemical state of chemisorbed species on gas phase clusters. The application of infrared multiple photon dissociation IRMPD to obtain the IR absorption properties of metal cluster-adsorbate species in a molecular beam is described here. Specifically using a high power, pulsed CO2 laser as the infrared source, the IRMPD spectrum for methanol chemisorbed on small iron clusters is measured as a function of the number of both iron atoms and methanols in the complex for different methanol isotopes. Both the feasibility and potential utility of IRMPD for characterizing metal cluster-adsorbate interactions are demonstrated. The method is generally applicable to any cluster or cluster-adsorbate system dependent only upon the availability of appropriate high power infrared sources.

  5. Evaluation of different grades of ginseng using 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

    Ginseng is one of the most widely used herbal medicines which have many kinds of pharmaceutical values. The discrimination of grades of ginseng includes the cultivation types and the growth years herein. To evaluate the different grades of ginseng, the fibrous roots and rhizome roots of ginseng were analyzed by Fourier-transform infrared and two-dimensional infrared correlation spectroscopy in this paper. The fibrous root and rhizome root of ginseng have different content of starch, calcium oxalate and other components. For the fibrous roots of ginseng, mountain cultivation ginseng (MCG), garden cultivation ginseng (GCG) and transplanted cultivation ginseng (TCG) have clear difference in the infrared spectra and second derivative spectra in the range of 1800-400 cm -1, and clearer difference was observed in the range of 1045-1160 and 1410-1730 cm -1 in 2D synchronous correlation spectra. Three kinds of ginseng can be clustered very well by using SIMCA analysis on the basis of PCA as well. For the rhizome roots, the content of calcium oxalate and starch change with growth years in the IR spectra, and some useful procedure can be obtained by the analysis of 2D IR synchronous spectra in the range of 1050-1415 cm -1. Also, ginsengs cultivated in different growth years were clustered perfectly by using SIMCA analysis. The results suggested that different grades of ginseng can be well recognized using the mid-infrared spectroscopy assisted by 2D IR correlation spectroscopy, which provide the macro-fingerprint characteristics of ginseng in different parts and supplied a rapid, effective approach for the evaluation of the quality of ginseng.

  6. Follow-up observations for the Asteroid Catalog using AKARI Spectroscopic Observations

    Science.gov (United States)

    Hasegawa, Sunao; Kuroda, Daisuke; Yanagisawa, Kenshi; Usui, Fumihiko

    2017-12-01

    In the 1-2.5 μm range, spectroscopic observations are made on the AcuA-spec asteroids, the spectra of which were obtained in a continuous covered mode between 2.5-5.0 μm by AKARI. Based on the Bus-DeMeo taxonomy (DeMeo et al. 2009, Icarus, 202, 160), all the AcuA-spec asteroids are classified, using both published and our observational data. Additionally, taking advantage of the Bus-DeMeo taxonomy characteristics, we constrain the characteristic of each spectral type by combining the taxonomy results with the other physical observational data from colorimetry, polarimetry, radar, and radiometry. As a result, it is suggested that certain C-, Cb-, B-type, dark X-, and D-complex asteroids have spectral properties compatible with those of anhydrous interplanetary dust particles with tiny bright material, such as water ice. This supports the proposal regarding the C-complex asteroids (Vernazza et al. 2015, ApJ, 806, 204; 2017, AJ, 153, 72). A combination of the Bus-DeMeo taxonomy for AcuA-spec asteroids with other physical clues, such as the polarimetric inversion angle, radar albedo, and mid-infrared spectroscopic spectra, will be beneficial for surface material constraints from the AcuA-spec asteroid observations.

  7. 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.

  8. Spectroscopy

    CERN Document Server

    Walker, S

    1976-01-01

    The three volumes of Spectroscopy constitute the one comprehensive text available on the principles, practice and applications of spectroscopy. By giving full accounts of those spectroscopic techniques only recently introduced into student courses - such as Mössbauer spectroscopy and photoelectron spectroscopy - in addition to those techniques long recognised as being essential in chemistry teaching - sucha as e.s.r. and infrared spectroscopy - the book caters for the complete requirements of undergraduate students and at the same time provides a sound introduction to special topics for graduate students.

  9. Surface enhanced infrared absorption spectroscopy for graphene functionalization on copper

    Czech Academy of Sciences Publication Activity Database

    Matulková, I.; Kovaříček, Petr; Šlouf, Miroslav; Němec, I.; Kalbáč, Martin

    2017-01-01

    Roč. 124, NOV 2017 (2017), s. 250-255 ISSN 0008-6223 R&D Projects: GA ČR(CZ) GA15-01953S; GA MŠk LL1301; GA MŠk(CZ) LM2015073 Grant - others:AVČR PPPLZ(CZ) L200401551; GA MŠk(CZ) CZ.02.1.01/0.0/0.0/16_013/0001821 Institutional support: RVO:61388955 ; RVO:61389013 Keywords : chemical-vapor-deposition * diazonium salts * raman-spectroscopy * covalent functionalization * seira spectroscopy * grown graphene Subject RIV: CF - Physical ; Theoretical Chemistry; CD - Macromolecular Chemistry (UMCH-V) OBOR OECD: Physical chemistry; Polymer science (UMCH-V) Impact factor: 6.337, year: 2016

  10. Surface enhanced infrared absorption spectroscopy for graphene functionalization on copper

    Czech Academy of Sciences Publication Activity Database

    Matulková, I.; Kovaříček, Petr; Šlouf, Miroslav; Němec, I.; Kalbáč, Martin

    2017-01-01

    Roč. 124, NOV 2017 (2017), s. 250-255 ISSN 0008-6223 R&D Projects: GA ČR(CZ) GA15-01953S; GA MŠk LL1301; GA MŠk(CZ) LM2015073 Grant - others:AVČR PPPLZ(CZ) L200401551; GA MŠk(CZ) CZ.02.1.01/0.0/0.0/16_013/0001821 Institutional support: RVO:61388955 ; RVO:61389013 Keywords : chemical -vapor-deposition * diazonium salts * raman-spectroscopy * covalent functionalization * seira spectroscopy * grown graphene Subject RIV: CF - Physical ; Theoretical Chemistry; CD - Macromolecular Chemistry (UMCH-V) OBOR OECD: Physical chemistry; Polymer science (UMCH-V) Impact factor: 6.337, year: 2016

  11. Infrared Spectroscopy with a Cavity Ring-Down Spectrometer

    Science.gov (United States)

    2014-08-01

    excitation source wavelength. This relationship is the Beer - Lambert law that describes electromagnetic radiation spectroscopy: (2) We can...absorption coefficient on the right. The modified Beer - Lambert law in Eq. 6 is used in the numerical analysis of data collected by the CRDS. The...take Beer - Lambert and express the fraction of transmitted light (I/I0) on the left-hand side of Eq. 2 as a function of time. This expression is

  12. Infrared and NIR Raman spectroscopy in medical microbiology

    Science.gov (United States)

    Naumann, Dieter

    1998-04-01

    FTIR and FT-NIR Raman spectra of intact microbial cells are highly specific, fingerprint-like signatures which can be used to (i) discriminate between diverse microbial species and strains, (ii) detect in situ intracellular components or structures such as inclusion bodies, storage materials or endospores, (iii) detect and quantify metabolically released CO2 in response to various different substrate, and (iv) characterize growth-dependent phenomena and cell-drug interactions. The characteristic information is extracted from the spectral contours by applying resolution enhancement techniques, difference spectroscopy, and pattern recognition methods such as factor-, cluster-, linear discriminant analysis, and artificial neural networks. Particularly interesting applications arise by means of a light microscope coupled to the spectrometer. FTIR spectra of micro-colonies containing less than 103 cells can be obtained from colony replica by a stamping technique that transfers micro-colonies growing on culture plates to a special IR-sample holder. Using a computer controlled x, y- stage together with mapping and video techniques, the fundamental tasks of microbiological analysis, namely detection, enumeration, and differentiation of micro- organisms can be integrated in one single apparatus. FTIR and NIR-FT-Raman spectroscopy can also be used in tandem to characterize medically important microorganisms. Currently novel methodologies are tested to take advantage of the complementary information of IR and Raman spectra. Representative examples on medically important microorganisms will be given that highlight the new possibilities of vibrational spectroscopies.

  13. Infrared spectroscopy for geologic interpretation of TIMS data

    Science.gov (United States)

    Bartholomew, Mary Jane

    1986-01-01

    The Portable Field Emission Spectrometer (PFES) was designed to collect meaningful spectra in the field under climatic, thermal, and sky conditions that approximate those at the time of the overflight. The specifications and procedures of PFES are discussed. Laboratory reflectance measurements of rocks and minerals were examined for the purpose of interpreting Thermal Infrared Multispectral Scanner (TIMS) data. The capability is currently being developed to perform direct laboratory measurement of the normal spectral radiance of Earth surface materials at low temperatures (20 to 30 C) at the Jet Propulsion Laboratory.

  14. Screening suspected counterfeit Viagra and imitations of Viagra with near-infrared spectroscopy.

    NARCIS (Netherlands)

    Vredenbregt, M J; Blok-Tip, L; Hoogerbrugge, Ronald; Barends, D M; Kaste, D de

    2006-01-01

    We describe a near-infrared spectroscopy (NIRS) method for fast-screening Viagra tablets, counterfeit Viagra tablets, and imitations of Viagra. The method can (1) check the homogeneity of a batch; (2) distinguish counterfeits and imitations from authentic Viagra; (3) screen for the presence of

  15. Potential use of visible and near-infrared spectroscopy for pine ...

    African Journals Online (AJOL)

    The correct identification of pine species is necessary for proper application of wood in forest-based industries, since the quality of each species' wood depends on factors intrinsic to the material. The aim of this study was to evaluate the potential use of near-infrared and visible spectroscopy in the discrimination of pine ...

  16. Infrared multiple-photon dissociation spectroscopy of group II metal complexes with salicylate

    NARCIS (Netherlands)

    Dain, R.P.; Gresham, G.; Groenewold, G.S.; Steill, J.D.; Oomens, J.; van Stipdonk, M.J.

    2011-01-01

    Ion trap tandem mass spectrometry with collision-induced dissociation, and the combination of infrared multiple-photon dissociation (IRMPD) spectroscopy and density functional theory (DFT) calculations, were used to characterize singly charged, 1:1 complexes of Ca2+, Sr2+ and Ba2+ with salicylate.

  17. Infrared multiple-photon dissociation spectroscopy of group II metal complexes with salicylate

    NARCIS (Netherlands)

    Dain, R. P.; Gresham, G.; Groenewold, G. S.; Steill, J. D.; Oomens, J.; van Stipdonk, M. J.

    2011-01-01

    Ion trap tandem mass spectrometry with collision-induced dissociation, and the combination of infrared multiple-photon dissociation (IRMPD) spectroscopy and density functional theory (DFT) calculations, were used to characterize singly charged, 1: 1 complexes of Ca2+, Sr2+ and Ba2+ with salicylate.

  18. Infrared and ESR spectroscopy of KTaO.sub.3./sub.:Er

    Czech Academy of Sciences Publication Activity Database

    Skvortsov, A.; Trepakov, V.; Nuzhnyy, Dmitry; Laguta, Valentyn; Jastrabík, Lubomír

    2012-01-01

    Roč. 54, č. 5 (2012), s. 972-974 ISSN 1063-7834 R&D Projects: GA TA ČR TA01010517; GA ČR GAP108/12/1941 Keywords : KTaO 3 :Er 3+ * infrared and EPR spectroscopy Subject RIV: BH - Optics, Masers, Lasers Impact factor: 0.769, year: 2012

  19. Prefrontal Dysfunction in Attention-Deficit/Hyperactivity Disorder as Measured by Near-Infrared Spectroscopy

    Science.gov (United States)

    Negoro, Hideki; Sawada, Masayuki; Iida, Junzo; Ota, Toyosaku; Tanaka, Shohei; Kishimoto, Toshifumi

    2010-01-01

    Recent developments in near-infrared spectroscopy (NIRS) have enabled non-invasive clarification of brain functions in psychiatric disorders with measurement of hemoglobin concentrations as cerebral blood volume. Twenty medication-naive children with attention-deficit/hyperactivity disorder (ADHD) and 20 age- and sex-matched healthy control…

  20. Abdominal near-infrared spectroscopy measurements are lower in preterm infants at risk for necrotizing enterocolitis

    Science.gov (United States)

    Near-infrared spectroscopy is a noninvasive method of measuring local tissue oxygenation (StO[2]). Abdominal StO[2] measurements in preterm piglets are directly correlated with changes in intestinal blood flow and markedly reduced by necrotizing enterocolitis. The objectives of this study were to us...

  1. Functional Near-Infrared Spectroscopy for the Assessment of Speech Related Tasks

    Science.gov (United States)

    Dieler, A. C.; Tupak, S. V.; Fallgatter, A. J.

    2012-01-01

    Over the past years functional near-infrared spectroscopy (fNIRS) has substantially contributed to the understanding of language and its neural correlates. In contrast to other imaging techniques, fNIRS is well suited to study language function in healthy and psychiatric populations due to its cheap and easy application in a quiet and natural…

  2. Examination of Bond Properties through Infrared Spectroscopy and Molecular Modeling in the General Chemistry Laboratory

    Science.gov (United States)

    Csizmar, Clifford M.; Force, Dee Ann; Warner, Don L.

    2012-01-01

    A concerted effort has been made to increase the opportunities for undergraduate students to address scientific problems employing the processes used by practicing chemists. As part of this effort, an infrared (IR) spectroscopy and molecular modeling experiment was developed for the first-year general chemistry laboratory course. In the…

  3. Application of near-infrared spectroscopy to preservative-treated wood

    Science.gov (United States)

    Chi-Leung So; Stan T. Lebow; Thomas L. Eberhardt; Leslie H. Groom; Todd F. Shupe

    2009-01-01

    Near infrared (NIR) spectroscopy is now a widely-used technique in the field of forest products, especially for physical and mechanical property determinations. This technique is also ideal for the chemical analysis of wood. There has been a growing need to find a rapid, inexpensive and reliable method to distinguish between preservative-treated and untreated waste...

  4. Near infrared spectroscopy and aquaphotomics analysis of serum from mares exposed to the fungal mycotoxin zearalenone

    Science.gov (United States)

    Aquaphotomics is a branch of near infrared spectroscopy (NIR) in which bond vibrations from organic molecules and water create unique spectral absorbance patterns to profile complex aqueous mixtures. Aquaphotomics has been shown to detect virus infected soybean plants from extracts, classify probiot...

  5. Monitoring tissue oxygen availability with near infrared spectroscopy (NIRS) in health and disease

    DEFF Research Database (Denmark)

    Boushel, Robert Christopher; Langberg, H; Olesen, J

    2001-01-01

    Near infrared spectroscopy (NIRS) is becoming a widely used research instrument to measure tissue oxygen (O2) status non-invasively. Continuous-wave spectrometers are the most commonly used devices, which provide semi-quantitative changes in oxygenated and deoxygenated hemoglobin in small blood...

  6. Development of near-infrared spectroscopy calibrations to measure quality characteristics in intact Brassicaceae germplasm

    Science.gov (United States)

    Determining seed quality parameters is an integral part of cultivar improvement and germplasm screening. However, quality tests are often time cnsuming, seed destructive, and can require large seed samples. This study describes the development of near-infrared spectroscopy (NIRS) calibrations to mea...

  7. Review of multidimensional data processing approaches for Raman and infrared spectroscopy

    NARCIS (Netherlands)

    Gautam, R.; Vanga, S.; Ariese, F.

    2015-01-01

    Raman and Infrared (IR) spectroscopies provide information about the structure, functional groups and environment of the molecules in the sample. In combination with a microscope, these techniques can also be used to study molecular distributions in heterogeneous samples. Over the past few decades

  8. Atmospheric and surface properties of Mars obtained by infrared spectroscopy on Mariner 9

    Science.gov (United States)

    Conrath, B.; Curran, R.; Hanel, R.; Kunde, V.; Maguire, W.; Pearl, J.; Pirraglia, J.; Welker, J.; Burke, T.

    1973-01-01

    The infrared spectroscopy experiment on Mariner 9 obtained data over much of Mars. Interpretation of the thermal emission of Mars in terms of atmospheric temperatures, wind fields and dynamics, surface temperatures, surface pressure and topography, mineral composition, and minor atmospheric constituents including isotopic ratios, as well as a search for unexpected phenomena are reported.

  9. 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

  10. Dissociation routes of protonated toluene probed by infrared spectroscopy in the gas phase

    Czech Academy of Sciences Publication Activity Database

    Schröder, Detlef; Schwarz, H.; Milko, Petr; Roithová, Jana

    2006-01-01

    Roč. 110, č. 27 (2006), s. 8346-8353 ISSN 1089-5639 R&D Projects: GA AV ČR(CZ) KJB4040302 Institutional research plan: CEZ:AV0Z40550506 Keywords : density functional theory * hydrogen migration * infrared spectroscopy * mass spectrometry * rearrangements Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 3.047, year: 2006

  11. Targeted and Untargeted Detection of Skim Milk Powder Adulteration by Near-Infrared Spectroscopy

    NARCIS (Netherlands)

    Capuano, Edoardo; Boerrigter-Eenling, Rita; Koot, Alex; Ruth, van S.M.

    2015-01-01

    In the present study, near-infrared spectroscopy (NIRS) was explored as a fast and reliable screening method for the detection of adulteration of skim milk powder (SMP). Sixty genuine SMP were adulterated with acid whey (1–25 % w/w), starch (2 and 5 %) and maltodextrin (2 and 5 %) for a total of

  12. Authentication of Organic Feed by Near-Infrared Spectroscopy Combined with Chemometrics A Feasibilily Study

    NARCIS (Netherlands)

    Tres, A.; Veer, van der J.C.; Perez-Marin, M.D.; Ruth, van S.M.; Garrido-Varo, A.

    2012-01-01

    Organic products tend to retail at a higher price than their conventional counterparts, which makes them susceptible to fraud. In this study we evaluate the application of near-infrared spectroscopy (NIRS) as a rapid, cost-effective method to verify the organic identity of feed for laying hens. For

  13. Advances in near-infrared spectroscopy to study the brain of the preterm and term neonate

    DEFF Research Database (Denmark)

    Wolf, Martin; Greisen, Gorm

    2009-01-01

    This article reviews tissue oximetry and imaging to study the preterm and newborn infant brain by near-infrared spectroscopy. These two technologies are now advanced; nearly 100 reports on their use in newborn infants have been published, and commercial instruments are available. The precision...

  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. 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 ...

  16. Use of near infrared spectroscopy to measure the chemical and mechanical properties of solid wood

    Science.gov (United States)

    Stephen S. Kelley; Timothy G. Rials; Rebecca Snell; Leslie H. Groom; Amie Sluiter

    2004-01-01

    Near infrared (NIR) spectroscopy (500 nm-2400 nm), coupled with multivariate analytic (MVA) statistical techniques, have been used to predict the chemical and mechanical properties of solid loblolly pine wood. The samples were selected from different radial locations and heights of three loblolly pine trees grown in Arkansas. The chemical composition and mechanical...

  17. Alkali metal ion binding to glutamine and glutamine derivatives investigated by infrared action spectroscopy and theory

    NARCIS (Netherlands)

    Bush, M. F.; Oomens, J.; Saykally, R. J.; Williams, E. R.

    2008-01-01

    The gas-phase structures of alkali-metal cationized glutamine are investigated by using both infrared multiple photon dissociation (TRMPD) action spectroscopy, utilizing light generated by a free electron laser, and theory. The IRMPD spectra contain many similarities that are most consistent with

  18. Chemical structure of wood charcoal by infrared spectroscopy and multivariate analysis

    Science.gov (United States)

    Nicole Labbe; David Harper; Timothy Rials; Thomas Elder

    2006-01-01

    In this work, the effect of temperature on charcoal structure and chemical composition is investigated for four tree species. Wood charcoal carbonized at various temperatures is analyzed by mid infrared spectroscopy coupled with multivariate analysis and by thermogravimetric analysis to characterize the chemical composition during the carbonization process. The...

  19. Near infrared spectroscopy (NIRS) to monitor tissue haemoglobin (and myoglobin) oxygenation

    NARCIS (Netherlands)

    Scheeren, T. W. L.

    2010-01-01

    Introduction: Tissue oxygenation may be monitored noninvasively by near infrared spectroscopy (NIRS) both on the thenar eminescence (muscle) and on the forehead (brain). Thenar measurement have been used to guide therapy in trauma patients ( 1 ) and to determine the prognosis of septic patients ( 2

  20. Screening for Breast Cancer Using Near Field Infrared Spectroscopy of a Single Strand of Hair

    National Research Council Canada - National Science Library

    Erramilli, Shyamsunder

    2001-01-01

    ... predisposition to breast cancer because of the breast of a mutation of the BRCA1 gene. We would like to develop a new method for the screening of breast cancer based on infrared spectroscopy of a single strand of human hair...

  1. Characterization and differentiation of kaolins from selected Czech deposits using infrared spectroscopy and thermal analysis

    Czech Academy of Sciences Publication Activity Database

    Vaculíková, Lenka; Plevová, Eva

    2007-01-01

    Roč. 3, č. 1 (2007), s. 181-181 ISSN 1336-7242. [Zjazd chemikov /59./. 02.09.2007-06.09.2007, Tatranské Matliare] Institutional research plan: CEZ:AV0Z30860518 Keywords : kaolinite * infrared spectroscopy * thermal analysis (TG/DTA) Subject RIV: CB - Analytical Chemistry, Separation

  2. The use of near infra-red reflectance spectroscopy for the ...

    African Journals Online (AJOL)

    The applicability of the NIRS ryegrass calibration to other species was briefly examined by estimating the N content of Kikuyu (Penisetum clandestinum) (r = 0, 97 and SEP = 0, 277). Keywords: italian ryegrass; kikuyu; lolium multiflorum; near infra-red spectroscopy; nitrogen; plant physiology; protein; regression analysis; ...

  3. Nondestructive detection of zebra chip disease in potatoes using near-infrared spectroscopy

    Science.gov (United States)

    Near-Infrared (NIR) spectroscopy in the wavelength region from 900 nm to 2600 nm was evaluated as the basis for a rapid, non-destructive method for the detection of Zebra Chip disease in potatoes and the measurement of sugar concentrations in affected tubers. Using stepwise regression in conjunction...

  4. The use of near infrared spectroscopy (NIRS) to predict the chemical ...

    African Journals Online (AJOL)

    The wet chemical analysis of feed samples is time consuming and expensive. Near infrared spectroscopy (NIRS) was developed as a rapid technique to predict the chemical composition of feeds. The prediction of accuracy of NIRS relies heavily on obtaining a calibration set which represents the variation in the main ...

  5. Intact neurovascular coupling during executive function in migraine without aura: interictal near-infrared spectroscopy study

    DEFF Research Database (Denmark)

    Schytz, H W; Ciftçi, K; Akin, A

    2010-01-01

    An altered neurovascular coupling has been proposed in migraine. We aimed to investigate neurovascular coupling during a mental task interictally in patients with migraine without aura (MO) by near-infrared spectroscopy (NIRS). Twelve migraineurs and 12 healthy controls were included. Using NIRS,...

  6. Measurement of soy contents in ground beef using near-infrared spectroscopy

    Science.gov (United States)

    Models for determining contents of soy products in ground beef were developed using near-infrared (NIR) spectroscopy. Samples were prepared by mixing four kinds of soybean protein products (Arconet, toasted soy grits, Profam and textured vegetable protein (TVP)) with ground beef (content from 0%–100...

  7. Regional calibration models for predicting loblolly pine tracheid properties using near-infrared spectroscopy

    Science.gov (United States)

    Mohamad Nabavi; Joseph Dahlen; Laurence Schimleck; Thomas L. Eberhardt; Cristian Montes

    2018-01-01

    This study developed regional calibration models for the prediction of loblolly pine (Pinus taeda) tracheid properties using near-infrared (NIR) spectroscopy. A total of 1842 pith-to-bark radial strips, aged 19–31 years, were acquired from 268 trees from 109 stands across the southeastern USA. Diffuse reflectance NIR spectra were collected at 10-mm...

  8. Near-infrared spectroscopy used to predict soybean seed germination and vigor

    Science.gov (United States)

    The potential of using near-infrared (NIR) spectroscopy for differentiating levels in germination, vigor, and electrical conductivity of soybean seeds was investigated. For the 243 spectral data collected using the Perten DA7200, stratified sampling was used to obtain three calibration sets consisti...

  9. Fast determination of the resin and rubber content in Parthenium argentatum biomass using near infrared spectroscopy

    NARCIS (Netherlands)

    Suchat, S.; Pioch, D.; Palu, S.; Tardan, E.; Loo, van E.N.; Davrieux, F.

    2013-01-01

    Guayule (Parthenium argentatum), a plant native of semi-arid regions of northern Mexico and southern Texas, United States, is an under-used source of hypoallergenic latex, a solution to the serious latex allergy IgE problem worldwide. This study aimed to develop near infrared spectroscopy (NIRS)

  10. Photochemical Degradation Of Polymer Films On Metals As Studied By Fourier Transform Infrared (FTIR) Spectroscopy

    Science.gov (United States)

    Webb, John D.; Schissel, Paul; Czanderna, Alvin; Chughtai, Abdul R.; Smith, Dwight M.

    1981-10-01

    An experimental approach to the study of polymer film photodegradation by Fourier transform infrared (FT-IR) spectroscopy, with simultaneous UV irradiation under varying thermal and environmental parameters, has been developed. Reflection spectra from metal-backed polycarbonate films undergoing irradiation in a test chamber illustrate the system's capability. Early degradative events in polycarbonate are revealed by differences in these spectra.

  11. Near-infrared spectroscopy determined cerebral oxygenation with eliminated skin blood flow in young males

    DEFF Research Database (Denmark)

    Hirasawa, Ai; Kaneko, Takahito; Tanaka, Naoki

    2016-01-01

    We estimated cerebral oxygenation during handgrip exercise and a cognitive task using an algorithm that eliminates the influence of skin blood flow (SkBF) on the near-infrared spectroscopy (NIRS) signal. The algorithm involves a subtraction method to develop a correction factor for each subject. ...

  12. Does depth of the frontal sinus affect near-infrared spectroscopy measurement?

    DEFF Research Database (Denmark)

    Holmgaard, Frederik; Vedel, Anne G; Langkilde, Annika

    2016-01-01

    Near-infrared spectroscopy (NIRS) is a non-invasive method that reflects real-time cerebral oxygenation (rSO2) by the use of two adhesive optodes placed on the forehead of the patient. Frontal sinuses vary anatomically and a large frontal sinus might compromise the NIRS signal since the NIRS...

  13. Investigation of vegetation history of buried chernozem soils using near-infrared spectroscopy (NIRS)

    Czech Academy of Sciences Publication Activity Database

    Vysloužilová, B.; Ertlen, D.; Šefrna, L.; Novák, T.; Virágh, K.; Rué, M.; Campaner, A.; Dreslerová, Dagmar; Schwartz, D.

    2015-01-01

    Roč. 365, 16 April (2015), s. 203-211 ISSN 1040-6182 Institutional support: RVO:67985912 Keywords : Holocene * paleopedology * paleoecology * near-infrared spectroscopy * chernozem * buried paleosol Subject RIV: DF - Soil Science Impact factor: 2.067, year: 2015

  14. Cerebral hemodynamics measured with simultaneous PET and near-infrared spectroscopy in humans

    DEFF Research Database (Denmark)

    Rostrup, Egill; Law, Ian; Pott, Frank

    2002-01-01

    Near-infrared spectroscopy (NIRS) enables continuous non-invasive quantification of blood and tissue oxygenation, and may be useful for quantification of cerebral blood volume (CBV) changes. In this study, changes in cerebral oxy- and deoxyhemoglobin were compared to corresponding changes in CBF ...

  15. Cerebral near infrared spectroscopy oximetry in extremely preterm infants : Phase II randomised clinical trial

    NARCIS (Netherlands)

    Hyttel-Sorensen, Simon; Pellicer, Adelina; Alderliesten, Thomas; Austin, Topun; Van Bel, Frank; Benders, Manon; Claris, Olivier; Dempsey, Eugene; Franz, Axel R.; Fumagalli, Monica; Gluud, Christian; Grevstad, Berit; Hagmann, Cornelia; Lemmers, Petra; Van Oeveren, Wim; Pichler, Gerhard; Plomgaard, Anne Mette; Riera, Joan; Sanchez, Laura; Winkel, Per; Wolf, Martin; Greisen, Gorm

    2015-01-01

    Objective: To determine if it is possible to stabilise the cerebral oxygenation of extremely preterm infants monitored by cerebral near infrared spectroscopy (NIRS) oximetry. Design: Phase II randomised, single blinded, parallel clinical trial. Setting Eight tertiary neonatal intensive care units in

  16. Near-infrared spectroscopy can reveal increases in brain activity related to animal-assisted therapy.

    Science.gov (United States)

    Morita, Yuka; Ebara, Fumio; Morita, Yoshimitsu; Horikawa, Etsuo

    2017-08-01

    [Purpose] Previous studies have indicated that animal-assisted therapy can promote recovery of psychological, social, and physiological function in mental disorders. This study was designed as a pilot evaluation of the use of near-infrared spectroscopy to objectively identify changes in brain activity that could mediate the effect of animal-assisted therapy. [Subjects and Methods] The participants were 20 healthy students (10 males and 10 females; age 19-21 years) of the Faculty of Agriculture, Saga University. Participants were shown a picture of a Tokara goat or shack (control) while prefrontal cortical oxygenated haemoglobin levels (representing neural activity) were measured by near-infrared spectroscopy. [Results] The prefrontal cortical near-infrared spectroscopy signal was significantly higher during viewing of the animal picture than during a rest condition or during viewing of the control picture. [Conclusion] Our results suggest that near-infrared spectroscopy can be used to objectively identify brain activity changes during human mentation regarding animals; furthermore, these preliminary results suggest the efficacy of animal-assisted therapy could be related to increased activation of the prefrontal cortex.

  17. Citrus species and hybrids depicted by near- and mid-infrared spectroscopy.

    Science.gov (United States)

    Páscoa, Ricardo Nmj; Moreira, Silvana; Lopes, João A; Sousa, Clara

    2018-01-31

    Citrus trees are among the most cultivated plants in the world, with a high economic impact. The wide sexual compatibility among relatives gave rise to a large number of hybrids that are difficult to discriminate. This work sought to explore the ability of infrared spectroscopy to discriminate among Citrus species and/or hybrids and to contribute to the elucidation of its relatedness. Adult leaves of 18 distinct Citrus plants were included in this work. Near- and mid-infrared (NIR and FTIR) spectra were acquired from leaves after harvesting and a drying period of 1 month. Spectra were modelled by principal component analysis and partial least squares discriminant analysis. Both techniques revealed a high discrimination potential (78.5-95.9%), being the best results achieved with NIR spectroscopy and air-dried leaves (95.9%). Infrared spectroscopy was able to successfully discriminate several Citrus species and/or hybrids. Our results contributed also to enhance insights regarding the studied Citrus species and/or hybrids. Despite the benefit of including additional samples, the results herein obtained clearly pointed infrared spectroscopy as a reliable technique for Citrus species and/or hybrid discrimination. © 2018 Society of Chemical Industry. © 2018 Society of Chemical Industry.

  18. Near-Infrared Spectroscopy: A Promising Prehospital Tool for Management of Traumatic Brain Injury

    NARCIS (Netherlands)

    Peters, J.H.; Wageningen, B. van; Hoogerwerf, N.; Tan, E.C.T.H.

    2017-01-01

    Introduction Early identification of traumatic brain injury (TBI) is essential. Near-infrared spectroscopy (NIRS) can be used in prehospital settings for non-invasive monitoring and the diagnosis of patients who may require surgical intervention. METHODS: The handheld NIRS Infrascanner (InfraScan

  19. Process analytical chemistry in the distillation industry using near-infrared spectroscopy

    NARCIS (Netherlands)

    vandenBerg, F. W. J.; vanOsenbruggen, W. A.; Smilde, A. K.

    1997-01-01

    Process analytical chemistry is a subdiscipline of analytical chemistry devoted to chemical measurements on processes. This paper reports the results of a feasibility study on ethanol determination during the production of alcoholic beverages. In this study near-infrared spectroscopy will be used to

  20. Polyaniline: The infrared spectroscopy of conducting polymer nanotubes (IUPAC Technical Report)

    Czech Academy of Sciences Publication Activity Database

    Trchová, Miroslava; Stejskal, Jaroslav

    2011-01-01

    Roč. 83, č. 10 (2011), s. 1803-1817 ISSN 0033-4545 R&D Projects: GA MŠk LA09028 Institutional research plan: CEZ:AV0Z40500505 Keywords : aniline oligomers * fourier transform infrared (FTIR) spectroscopy * IUPAC Polymer Division Subject RIV: CD - Macromolecular Chemistry Impact factor: 2.789, year: 2011

  1. Characterisation of structure-dependent functional properties of lignin with infrared spectroscopy

    NARCIS (Netherlands)

    Boeriu, C.G.; Bravo, D.; Gosselink, R.J.A.; Dam, van J.E.G.

    2004-01-01

    Fourier-transformed infrared spectroscopy (FT-IR) was evaluated as an analytical technique for the estimation of the chemical composition and functional properties of lignin. A sample set containing various non-wood, hardwood and softwood lignins isolated by different processing technologies was

  2. Identification and classification of silks using infrared spectroscopy

    Science.gov (United States)

    Boulet-Audet, Maxime; Vollrath, Fritz; Holland, Chris

    2015-01-01

    ABSTRACT Lepidopteran silks number in the thousands and display a vast diversity of structures, properties and industrial potential. To map this remarkable biochemical diversity, we present an identification and screening method based on the infrared spectra of native silk feedstock and cocoons. Multivariate analysis of over 1214 infrared spectra obtained from 35 species allowed us to group silks into distinct hierarchies and a classification that agrees well with current phylogenetic data and taxonomies. This approach also provides information on the relative content of sericin, calcium oxalate, phenolic compounds, poly-alanine and poly(alanine-glycine) β-sheets. It emerged that the domesticated mulberry silkmoth Bombyx mori represents an outlier compared with other silkmoth taxa in terms of spectral properties. Interestingly, Epiphora bauhiniae was found to contain the highest amount of β-sheets reported to date for any wild silkmoth. We conclude that our approach provides a new route to determine cocoon chemical composition and in turn a novel, biological as well as material, classification of silks. PMID:26347557

  3. Kinetic inductance detectors for far-infrared spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Barlis, A., E-mail: abarlis@physics.upenn.edu [University of Pennsylvania Department of Physics and Astronomy, Philadelphia, Pennsylvania (United States); Aguirre, J. [University of Pennsylvania Department of Physics and Astronomy, Philadelphia, Pennsylvania (United States); Stevenson, T. [NASA Goddard Space Flight Center, Greenbelt, Maryland (United States)

    2016-07-11

    The star formation mechanisms at work in the early universe remain one of the major unsolved problems of modern astrophysics. Many of the luminous galaxies present during the period of peak star formation (at redshift of about 2.5) were heavily enshrouded in dust, which makes observing their properties difficult at optical wavelengths. However, many spectral lines exist at far-infrared wavelengths that serve as tracers of star formation. Here, we describe a detector system suitable for a balloon-borne spectroscopic intensity mapping experiment at far-infrared wavelengths. The system uses lumped-element kinetic inductance detectors (KIDs), which have the potential to achieve high sensitivity and low noise levels. KIDs consist of separate capacitive and inductive elements, and use the inductive element as the radiation absorber. We describe the design considerations, fabrication process, and readout scheme for a prototype LEKID array of 1600 pixels. - Highlights: • We describe a concept for a balloon-borne telescope for far-IR wavelengths. • Telescope would use high-sensitivity kinetic inductance detectors. • Design considerations and fabrication process for prototype detectors.

  4. [The research progress in determining lignocellulosic content by near infrared reflectance spectroscopy technology].

    Science.gov (United States)

    Du, Juan; An, Dong; Xia, Tian; Huang, Yan-Hua; Li, Hong-Chao; Zhang, Yun-Wei

    2013-12-01

    Near infrared reflectance spectroscopy technology, as a new analytic method, can be used to determine the content of lignin, cellulose and hemi-cellulose which is faster, effective, easier to operate, and more accurate than the traditional wet chemical methods. Nowadays it has been widely used in measuring the composition of lignocelluloses in woody plant and herbaceous plant. The domestic and foreign research progress in determining the lignin, cellulose and hemi-cellulose content in woody plant ( wood and bamboo used as papermaking raw materials and wood served as potential biomass energy) and herbaceous plant (forage grass and energy grass) by near infrared reflectance spectroscopy technology is comprehensively summarized and the advances in method studies of measuring the composition of lignocelluloses by near infrared reflectance spectroscopy technology are summed up in three aspects, sample preparation, spectral data pretreatment and wavelength selection methods, and chemometric analysis respectively. Four outlooks are proposed combining the development statues of wood, forage grass and energy grass industry. First of all, the authors need to establish more feasible and applicable models for a variety of uses which can be used for more species from different areas, periods and anatomical parts. Secondly, comprehensive near infrared reflectance spectroscopy data base of grass products quality index needs to be improved to realize on-line quality and process control in grassproducts industry, which can guarantee the quality of the grass product. Thirdly, the near infrared reflectance spectroscopy quality index model of energy plant need to be built which can not only contribute to breed screening, but also improve the development of biomass industry. Besides, modeling approaches are required to be explored and perfected any further. Finally, the authors need to try our best to boost the advancement in the determination method of lignin, cellulose and hemi

  5. Updated Overview of Infrared Spectroscopy Methods for Detecting Mycotoxins on Cereals (Corn, Wheat, and Barley)

    Science.gov (United States)

    2018-01-01

    Each year, mycotoxins cause economic losses of several billion US dollars worldwide. Consequently, methods must be developed, for producers and cereal manufacturers, to detect these toxins and to comply with regulations. Chromatographic reference methods are time consuming and costly. Thus, alternative methods such as infrared spectroscopy are being increasingly developed to provide simple, rapid, and nondestructive methods to detect mycotoxins. This article reviews research conducted over the last eight years into the use of near-infrared and mid-infrared spectroscopy to monitor mycotoxins in corn, wheat, and barley. More specifically, we focus on the Fusarium species and on the main fusariotoxins of deoxynivalenol, zearalenone, and fumonisin B1 and B2. Quantification models are insufficiently precise to satisfy the legal requirements. Sorting models with cutoff levels are the most promising applications. PMID:29320435

  6. 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.

  7. Application of infrared reflection and Raman spectroscopy for quantitative determination of fat in potato chips

    Science.gov (United States)

    Mazurek, Sylwester; Szostak, Roman; Kita, Agnieszka

    2016-12-01

    Potato chips are important products in the snack industry. The most significant parameter monitored during their quality control process is fat content. The Soxhlet method, which is applied for this purpose, is time consuming and expensive. We demonstrate that both infrared and Raman spectroscopy can effectively replace the extraction method. Raman, mid-infrared (MIR) and near-infrared (NIR) spectra of the homogenised laboratory-prepared chips were recorded. On the basis of obtained spectra, partial least squares (PLS) calibration models were constructed. They were characterised by the values of relative standard errors of prediction (RSEP) in the 1.0-1.9% range for both calibration and validation data sets. Using the developed models, six commercial products were successfully quantified with recovery in the 98.5-102.3% range against the AOAC extraction method. The proposed method for fat quantification in potato chips based on Raman spectroscopy can be easily adopted for on-line product analysis.

  8. Applications of Infrared and Raman Spectroscopies to Probiotic Investigation

    Directory of Open Access Journals (Sweden)

    Mauricio I. Santos

    2015-07-01

    Full Text Available In this review, we overview the most important contributions of vibrational spectroscopy based techniques in the study of probiotics and lactic acid bacteria. First, we briefly introduce the fundamentals of these techniques, together with the main multivariate analytical tools used for spectral interpretation. Then, four main groups of applications are reported: (a bacterial taxonomy (Subsection 4.1; (b bacterial preservation (Subsection 4.2; (c monitoring processes involving lactic acid bacteria and probiotics (Subsection 4.3; (d imaging-based applications (Subsection 4.4. A final conclusion, underlying the potentialities of these techniques, is presented.

  9. Applications of Infrared and Raman Spectroscopies to Probiotic Investigation

    Science.gov (United States)

    Santos, Mauricio I.; Gerbino, Esteban; Tymczyszyn, Elizabeth; Gomez-Zavaglia, Andrea

    2015-01-01

    In this review, we overview the most important contributions of vibrational spectroscopy based techniques in the study of probiotics and lactic acid bacteria. First, we briefly introduce the fundamentals of these techniques, together with the main multivariate analytical tools used for spectral interpretation. Then, four main groups of applications are reported: (a) bacterial taxonomy (Subsection 4.1); (b) bacterial preservation (Subsection 4.2); (c) monitoring processes involving lactic acid bacteria and probiotics (Subsection 4.3); (d) imaging-based applications (Subsection 4.4). A final conclusion, underlying the potentialities of these techniques, is presented. PMID:28231205

  10. Infrared absorption spectroscopy of single particles using photophoresis

    International Nuclear Information System (INIS)

    Lin, H.

    1985-01-01

    In situ absorption spectroscopy was performed on a single suspended salt particle using photophoresis. The charged ammonium sulfate particle was levitated in an electric-quadrpole field and illuminated by a CO 2 laser. The size-dependent absorption spectrum of ammonium sulfate particles was observed for the first time to our knowledge at 930-1080 cm -1 . The effects of gas pressure and laser power were also determined. For particles approximately 10 μm in diameter, the photophoretic force was observed to be negative

  11. Prediction of tablets disintegration times using near-infrared diffuse reflectance spectroscopy as a nondestructive method.

    Science.gov (United States)

    Donoso, M; Ghaly, Evone S

    2005-01-01

    The goals of this study are to user near-infrared reflectance (NIR) spectroscopy to measure the disintegration time of a series of tablets compacted at different compressional forces, calibrate NIR data vs. laboratory equipment data, develop a model equation, validate the model, and test the model's predictive ability. Seven theophylline tablet formulations of the same composition but with different disintegration time values (0.224, 1.141, 2.797, 5.492, 9.397, 16.8, and 30.092 min) were prepared along with five placebo tablet formulations with different disintegration times. Laboratory disintegration time was compared to near-infrared diffuse reflectance data. Linear regression, quadratic, cubic, and partial least square techniques were used to determine the relationship between disintegration time and near-infrared spectra. The results demonstrated that an increase in disintegration time produced an increase in near-infrared absorbance. Series of model equations, which depended on the mathematical technique used for regression, were developed from the calibration of disintegration time using laboratory equipment vs. the near-infrared diffuse reflectance for each formulation. The results of NIR disintegration time were similar to laboratory tests. The near-infrared diffuse reflectance spectroscopy method is an alternative nondestructive method for measurement of disintegration time of tablets.

  12. Versatile silicon-waveguide supercontinuum for coherent mid-infrared spectroscopy

    Science.gov (United States)

    Nader, Nima; Maser, Daniel L.; Cruz, Flavio C.; Kowligy, Abijith; Timmers, Henry; Chiles, Jeff; Fredrick, Connor; Westly, Daron A.; Nam, Sae Woo; Mirin, Richard P.; Shainline, Jeffrey M.; Diddams, Scott

    2018-03-01

    Laser frequency combs, with their unique combination of precisely defined spectral lines and broad bandwidth, are a powerful tool for basic and applied spectroscopy. Here, we report offset-free, mid-infrared frequency combs and dual-comb spectroscopy through supercontinuum generation in silicon-on-sapphire waveguides. We leverage robust fabrication and geometrical dispersion engineering of nanophotonic waveguides for multi-band, coherent frequency combs spanning 70 THz in the mid-infrared (2.5 μm-6.2 μm). Precise waveguide fabrication provides significant spectral broadening with engineered spectra targeted at specific mid-infrared bands. We characterize the relative-intensity-noise of different bands and show that the measured levels do not pose any limitation for spectroscopy applications. Additionally, we use the fabricated photonic devices to demonstrate dual-comb spectroscopy of a carbonyl sulfide gas sample at 5 μm. This work forms the technological basis for applications such as point sensors for fundamental spectroscopy, atmospheric chemistry, trace and hazardous gas detection, and biological microscopy.

  13. Far-Infrared Imaging Spectroscopy with SAFIRE on SOFIA

    Science.gov (United States)

    Shafer, Richard A.; Benford, D. J.; Irwin, K. D.; Moseley, S. H.; Pajot, F.; Stacey, G. J.; Staguhn, J. G.; Fisher, Richard R. (Technical Monitor)

    2001-01-01

    The SOFIA airborne observatory will provide a high spatial resolution, low background telescope for far-infrared astrophysical investigations. Selected as a PI instrument for SOFIA, SAFIRE is an imaging Fabry-Perot spectrograph covering 100 micrometers - 655 micrometers, with spectral resolving power of approx. 1500 (200 kilometers per second). This resolution is well matched to extragalactic emission lines and yields the greatest sensitivity for line detection. SAFIRE will make important scientific contributions to the study of the powering of ULIRGs and AGN, the role of CII cooling in extragalactic star formation, the evolution of matter in the early Universe, and the energetics of the Galactic center. SAFIRE will employ a two-dimensional pop-up barometer array in a 16 x 32 format to provide background-limited imaging spectrometry. Superconducting transition edge barometers and SQUID amplifiers have been developed for these detectors.

  14. 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

  15. The Electric Field Standing Wave Effect in Infrared Transmission Spectroscopy.

    Science.gov (United States)

    Mayerhöfer, Thomas G; Mutschke, Harald; Popp, Jürgen

    2017-10-19

    When band ratios in infrared absorbance spectra of films are compared (which had been converted from transmittance spectra), it can be noted that even after background correction and removal of interference fringes these band ratios change with the thickness of the films. The main goal of this work is to show that this effect is a consequence of an electric field standing wave based on the coherent superposition of light waves in the film. We further investigate how transmittance and reflectance, as well as absorbance and the (from absorbance) regained index of absorption, depend on the thickness of the film and how these parameters influence the positions of bands. We compare the results with those for the incoherent case and the case where a single pass of light through the film without reflection loss is assumed. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

  16. On-Line Monitoring of Fermentation Processes by Near Infrared and Fluorescence Spectroscopy

    DEFF Research Database (Denmark)

    Svendsen, Carina

    Monitoring and control of fermentation processes is important to ensure high product yield, product quality and product consistency. More knowledge on on-line analytical techniques such as near infrared and fluorescence spectroscopy is desired in the fermentation industry to increase the efficiency...... of on-line monitoring systems. The primary aim of this thesis is to elucidate and explore the dynamics in fermentation processes by spectroscopy. Though a number of successful on-line lab-scale monitoring systems have been reported, it seems that several challenges are still met, which limits the number......-time monitoring of bioprocesses and it also highlights that the applied techniques with different measurement orders deliver specific but also complementary sources of information. Furthermore, it was shown that valuable process information can be obtained both by near infrared spectroscopy and fluorescence...

  17. Investigation of the phase separation of PNIPAM using infrared spectroscopy together with multivariate data analysis

    DEFF Research Database (Denmark)

    Munk, Tommy; Baldursdottir, Stefania G.; Hietala, S.

    2013-01-01

    The use of vibrational spectroscopy to investigate complex structural changes in polymers yields chemically rich data, but interpretation can be challenging and subtle but meaningful spectral changes may be missed through visual inspection alone. Multivariate analysis is an efficient approach...... to gain an oversight of small but systematic spectral differences anywhere within the spectra, providing further insight into structural changes and associated transformation mechanisms. In this study, the novel analytical approach of infrared spectroscopy combined with principal component analysis...... a complex re-organization of the hydrogen bonds and change of the hydration layer. The changes agreed with existing results from other techniques, and new insights were gained into the effect of controlled tacticity on phase transformation behaviour. The study demonstrates that infrared spectroscopy...

  18. Quality control of tablets by Near Infrared (NIR)-Spectroscopy.

    Science.gov (United States)

    Petri, J; Kaunzinger, A; Niemöller, A; Karas, M

    2005-10-01

    Today, NIR-spectroscopy is an established analytical technique not only in the identification of raw materials but also in the quantification of active ingredients in tablets. In this work calibration models were set up with tablets of the same active ingredient but of miscellaneous origin and manufacturess. Consequently the tablets had different excipients and appearance. The pharmaceutical preparations used included atenolol 100 mg tablets, enalapril 20 mg tablets and acetylsalicylic acid (ASS) tablets of different dosage units. In order to proof if the calibration models set up are generally feasible the assay declared by the manufacturer was used to calculate the partial least square (PLS) calibration. With respect to enalapril tablets simultaneous analysis by HPLC, according to USP 26 was carried out. It was investigated if such methods allow a determination of active ingredients in tablets within limits of +/- 10% of declaration. It was shown that it is possible to set up calibration models to quantify active ingredients in tablets independent of adjuvants or optical appearance. Additionally it could be shown that NIR-spectroscopy is also applicable to determine the concentration of active ingredients in blister-packed tablets.

  19. Mesenteric near-infrared spectroscopy and risk of gastrointestinal complications in infants undergoing surgery for congenital heart disease.

    Science.gov (United States)

    Iliopoulos, Ilias; Branco, Ricardo G; Brinkhuis, Nadine; Furck, Anke; LaRovere, Joan; Cooper, David S; Pathan, Nazima

    2016-04-01

    We hypothesised that lower mesenteric near-infrared spectroscopy values would be associated with a greater incidence of gastrointestinal complications in children weighing infrared spectroscopy, central venous oxygen saturation, and arterial blood gases for 48 hours post-operatively. Enteral feeding intake, gastrointestinal complications, and markers of organ dysfunction were monitored for 7 days. A total of 50 children, with median age of 16.7 (3.2-31.6) weeks, were studied. On admission, the average mesenteric near-infrared spectroscopy value was 71±18%, and the systemic oxygen saturation was 93±7.5%. Lower admission mesenteric near-infrared spectroscopy correlated with longer time to establish enteral feeds (r=-0.58, pinfrared spectroscopy (58±18% versus 73±17%, p=0.01) and higher mesenteric arteriovenous difference of oxygen at admission [39 (23-47) % versus 19 (4-27) %, p=0.02]. Based on multiple logistic regression, admission mesenteric near-infrared spectroscopy was independently associated with gastrointestinal complications (Odds ratio, 0.95; 95% confidence interval, 0.93-0.97; p=0.03). Admission mesenteric near-infrared spectroscopy showed an area under the receiver operating characteristic curve of 0.76 to identify children who developed gastrointestinal complications, with a suggested cut-off value of 72% (78% sensitivity, 68% specificity). In this pilot study, we conclude that admission mesenteric near-infrared spectroscopy is associated with gastrointestinal complications and enteral feeding tolerance in children after cardiac surgery.

  20. Chinese vinegar classification via volatiles using long-optical-path infrared spectroscopy and chemometrics.

    Science.gov (United States)

    Dong, D; Zheng, W; Jiao, L; Lang, Y; Zhao, X

    2016-03-01

    Different brands of Chinese vinegar are similar in appearance, color and aroma, making their discrimination difficult. The compositions and concentrations of the volatiles released from different vinegars vary by raw material and brewing process and thus offer a means to discriminate vinegars. In this study, we enhanced the detection sensitivity of the infrared spectrometer by extending its optical path. We measured the infrared spectra of the volatiles from 5 brands of Chinese vinegar and observed the spectral characteristics corresponding to alcohols, esters, acids, furfural, etc. Different brands of Chinese vinegar had obviously different infrared spectra and could be classified through chemometrics analysis. Furthermore, we established classification models and demonstrated their effectiveness for classifying different brands of vinegar. This study demonstrates that long-optical-path infrared spectroscopy has the ability to discriminate Chinese vinegars with the advantages that it is fast and non-destructive and eliminates the need for sampling. Copyright © 2015 Elsevier Ltd. All rights reserved.

  1. A GAS TEMPERATURE PROFILE BY INFRARED EMISSION-ABSORPTION SPECTROSCOPY

    Science.gov (United States)

    Buchele, D. R.

    1994-01-01

    This computer program calculates the temperature profile of a flame or hot gas. Emphasis is on profiles found in jet engine or rocket engine exhaust streams containing water vapor or carbon dioxide as radiating gases. The temperature profile is assumed to be axisymmetric with a functional form controlled by two variable parameters. The parameters are calculated using measurements of gas radiation at two wavelengths in the infrared spectrum. Infrared emission and absorption measurements at two or more wavelengths provide a method of determining a gas temperature profile along a path through the gas by using a radiation source and receiver located outside the gas stream being measured. This permits simplified spectral scanning of a jet or rocket engine exhaust stream with the instrumentation outside the exhaust gas stream. This program provides an iterative-cyclic computation in which an initial assumed temperature profile is altered in shape until the computed emission and absorption agree, within specified limits, with the actual instrument measurements of emission and absorption. Temperature determination by experimental measurements of emission and absorption at two or more wavelengths is also provided by this program. Additionally, the program provides a technique for selecting the wavelengths to be used for determining the temperature profiles prior to the beginning of the experiment. By using this program feature, the experimenter has a higher probability of selecting wavelengths which will result in accurate temperature profile measurements. This program provides the user with a technique for determining whether this program will be sufficiently accurate for his particular application, as well as providing a means of finding the solution. The input to the program consists of four types of data: (1) computer program control constants, (2) measurements of gas radiance and transmittance at selected wavelengths, (3) tabulations from the literature of gas

  2. The application of near infrared spectroscopy (NIR technique for

    Directory of Open Access Journals (Sweden)

    Sandor Barabassy

    2001-06-01

    Full Text Available The production of cow’s milk in Hungary fluctuates by 15-20 % annualy. Surplus milk is dried into powder and can also be converted to modified milk powders using techniques such as ultra filtration. From approximetely 20.000 tonnes, of all milk powder types, 3.000 tonnes, is converted using ultra filtration technology. Multivariable near infrared (NIR calibration was performed on powder mixtures of whole milk, skimmed milk, whey, retenate (protein concentrate and lactose for rapid fat, protein, lactose, water and ash content determination. More than 150 samples were prepared and measured in two NIRS labs (Scottish Agriculture College – SAC – Aberdeen and University of Horticulture and Food Science - UHFS – Budapest. The results obtained from the same samples were compared. The aims of the study were: 1. Rapid quantitative and qualitative determination of mixtures of milk powder products using NIR technique. 2. Comparison of the results achieved in Aberdeen (SAC and Budapest (UHFS institutes. The mass per cent varied between 0.0-2.8% for fat, 0.0-80% for protein, 6.6-100 % for lactose, 0.0-5.0 % for water and 0.0-8.0 % for ash. High correlation coefficients (0.97-0.99 were found for all five components.

  3. Ribosomal DNA Nanoprobes studied by Fourier Transform Infrared spectroscopy

    Science.gov (United States)

    Fagundes, Jaciara; Castilho, Maiara L.; Téllez Soto, Claudio A.; Vieira, Laís de Souza; Canevari, Renata A.; Fávero, Priscila P.; Martin, Airton A.; Raniero, Leandro

    2014-01-01

    Paracoccidioides brasiliensis (P. brasiliensis) is a thermo-dimorphic fungus that causes paracoccidioidomycosis. Brazil epidemiological data shows that endemic areas are the subtropical regions, especially where agricultural activities predominate such as the Southeast, South, and Midwest. There are several tests to diagnose paracoccidioidomycosis, but they have many limitations such as low sensitivity, high cost, and a cross-reacting problem. In this work, gold nanoprobes were used to identify P. brasiliensis as an alternative diagnostic technique, which is easier to apply, costs less, and has great potential for application. The specific Ribosomal sequence of P. brasiliensis DNA was amplified and used to design the nanoprobes using a thiol-modified oligonucleotide. The results of positive and negative tests were done by UV-visible and Fourier Transform Infrared (FT-IR) measurements. The deconvolution of FT-IR sample spectra showed differences in the vibrational modes from the hydrogen bridge NHN and NHO bands that form the double helix DNA for samples matching the DNA sequence of nanoprobes that could be used to classify the samples.

  4. Quantitative analysis of ice films by near-infrared spectroscopy

    Science.gov (United States)

    Keiser, Joseph T.

    1990-01-01

    One of the outstanding problems in the Space Transportation System is the possibility of the ice buildup on the external fuel tank surface while it is mounted on the launch pad. During the T-2 hours (and holding) period, the frost/ice thickness on the external tank is monitored/measured. However, after the resumption of the countdown time, the tank surface can only be monitored remotely. Currently, remote sensing is done with a TV camera coupled to a thermal imaging device. This device is capable of identifying the presence of ice, especially if it is covered with a layer of frost. However, it has difficulty identifying transparent ice, and, it is not capable of determining the thickness of ice in any case. Thus, there is a need for developing a technique for measuring the thickness of frost/ice on the tank surface during this two hour period before launch. The external tank surface is flooded with sunlight (natural or simulated) before launch. It may be possible, therefore, to analyze the diffuse reflection of sunlight from the external tank to determine the presence and thickness of ice. The purpose was to investigate the feasibility of this approach. A near-infrared spectrophotometer was used to record spectra of ice. It was determined that the optimum frequencies for monitoring the ice films were 1.03 and 1.255 microns.

  5. Near-Infrared Spectroscopy of Small Protonated Water Clusters

    Science.gov (United States)

    Wagner, J. Philipp; McDonald, David C., II; McCoy, Anne B.; Duncan, Michael A.

    2017-06-01

    Small protonated water clusters and their argon tagged analogues of the general formula H^{+}(H_{2}O)_{n}Ar_{m} have been generated in a pulsed electric discharge source. Clusters containing n=1-8 water molecules were mass-selected and their absorptions in the near-infrared were probed with a tunable Nd/colonYAG pumped OPA/OPA laser system in the region from 4850-7350 cm^{-1}. A doublet corresponding to overtones of the free O-H stretches of the external waters was observed around 7200 cm^{-1} that was continuously decreasing in intensity with increasing cluster size. Broad, mostly featureless absorptions were found around 5300 cm^{-1} associated with stretch/bend combinations and with the hydrogen bonded waters in the core of the clusters. Vibrational assignments were substantiated by comparison to anharmonic frequency computations via second-order vibrational perturbation theory (VPT2) at the MP2/aug-cc-pVTZ level of theory.

  6. Moisture determination of tritium tracers utilizing near-infrared spectroscopy.

    Science.gov (United States)

    Marques, Rosemary; Waterhouse, David J; Helmy, Roy

    2016-06-15

    Tritium tracers are frequently used in biological assays during the drug discovery process because of their high specific activity and relative ease of synthesis. However, this high specific activity, along with other contributing factors, can lead to an increased rate of radiolytic decomposition. As a result, following long-term storage tritium tracers often require purification. Understanding the elements that cause radiolytic decomposition is extremely important to extend the storage life, and consequently reduce unnecessary inventory purifications. One of these elements is the presence of water in tritium tracers. Upon investigation, it was discovered that aside from the relatively common tritium/water exchange that could occur, residual water could also contribute significantly to the decomposition of tritium tracers. A near-infrared method was developed utilizing a portable device to measure the water content in tritium tracers rapidly and without sample destruction. This method proved to be quick, efficient, and achieved an error less than 5% compared to that of traditional Karl Fischer titration. Method validation was performed and good accuracy, linearity, limit of detection and quantitation were all established. Copyright © 2016 John Wiley & Sons, Ltd.

  7. Identification of different forms of cocaine and substances used in adulteration using near-infrared Raman spectroscopy and infrared absorption spectroscopy.

    Science.gov (United States)

    Penido, Ciro A F O; Pacheco, Marcos Tadeu T; Zângaro, Renato A; Silveira, Landulfo

    2015-01-01

    Identification of cocaine and subsequent quantification immediately after seizure are problems for the police in developing countries such as Brazil. This work proposes a comparison between the Raman and FT-IR techniques as methods to identify cocaine, the adulterants used to increase volume, and possible degradation products in samples seized by the police. Near-infrared Raman spectra (785 nm excitation, 10 sec exposure time) and FT-IR-ATR spectra were obtained from different samples of street cocaine and some substances commonly used as adulterants. Freebase powder, hydrochloride powder, and crack rock can be distinguished by both Raman and FT-IR spectroscopies, revealing differences in their chemical structure. Most of the samples showed characteristic peaks of degradation products such as benzoylecgonine and benzoic acid, and some presented evidence of adulteration with aluminum sulfate and sodium carbonate. Raman spectroscopy is better than FT-IR for identifying benzoic acid and inorganic adulterants in cocaine. © 2014 American Academy of Forensic Sciences.

  8. Advances in Contactless Silicon Defect and Impurity Diagnostics Based on Lifetime Spectroscopy and Infrared Imaging

    Directory of Open Access Journals (Sweden)

    Jan Schmidt

    2007-01-01

    Full Text Available This paper gives a review of some recent developments in the field of contactless silicon wafer characterization techniques based on lifetime spectroscopy and infrared imaging. In the first part of the contribution, we outline the status of different lifetime spectroscopy approaches suitable for the identification of impurities in silicon and discuss—in more detail—the technique of temperature- and injection-dependent lifetime spectroscopy. The second part of the paper focuses on the application of infrared cameras to analyze spatial inhomogeneities in silicon wafers. By measuring the infrared signal absorbed or emitted from light-generated free excess carriers, high-resolution recombination lifetime mappings can be generated within seconds to minutes. In addition, mappings of non-recombination-active trapping centers can be deduced from injection-dependent infrared lifetime images. The trap density has been demonstrated to be an important additional parameter in the characterization and assessment of solar-grade multicrystalline silicon wafers, as areas of increased trap density tend to deteriorate during solar cell processing.

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

    Science.gov (United States)

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

    2018-01-01

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

  10. Infrared Spectroscopy of Parent Volatiles in Comets: Implications for Astrobiology

    Science.gov (United States)

    DiSanti, Michael A.

    2010-01-01

    Current cometary orbits provide information on their recent dynamical history. However, determining a given comet's formation region from its current dynamical state alone is complicated by radial migration in the proto-planetary disk and by dynamical interactions with the growing giant planets. Because comets reside for long periods of time in the outer Solar System, the ices contained in their nuclei (native ices) retain a relatively well-preserved footprint of when and where they formed, and this in turn can provide clues to conditions in the formation epoch. As a comet approaches the Sun, sublimation of its native ices releases parent volatiles into the coma where they can be measured spectroscopically. The past to - 15 years have seen the advent of infrared spectrometers with high sensitivity between about 2.8 and 5.0 micron, enabling a taxonomy among comets based on abundances of parent volatiles (e.g., H2O, CO, CH4, C2H6, HCN, CH30H, H2CO, NH3). Such molecules are of keen interest to Astrobiology, as they include important pre-biotic species that likely were required for the emergence of life on Earth and perhaps elsewhere. Approximately 20 comets have thus far been characterized, beginning with C/1996 82 (Hyakutake) in 1996. Molecular production rates are established through comparison of observed emission line intensities with those predicted by quantum mechanical fluorescence models. Abundances of parent volatiles (relative to H2O) vary among even the relatively small number of comets sampled, with the most volatile species (CO and CH4) displaying the largest variations. Techniques developed for measuring parent volatile abundances in comets will be discussed, as will possible implications for their formation.

  11. Formation and Thermal Infrared Spectroscopy of Halite Crusts

    Science.gov (United States)

    Baldridge, A. M.; Christensen, P. R.

    2003-12-01

    Efflorescent salt crusts form as groundwater evaporates from capillary updraw of brine through sediment. Salts precipitate at the surface, coating and cementing the upper few layers of sediment. If enough brine is present to completely saturate and pond on top of the surface, halite will precipitate at the surface of the brine and settle out as layers of crystalline salt on top of the sediment. In playa environments, salts such as sulfates, carbonates and halides, and forms such crusts. In remote sensing studies of such surfaces, it is important to understand how the presence of salt crusts affects the spectral features of the surrounding sediment. This is especially true when the crusts form from a non-absorbing salt such as halite. Halite has been observed to exhibit unusual spectral properties in the thermal infrared. Specifically, granular mixtures of minerals with halite produced spectra in which the spectral features inverted form reflectivity, shifted to shorter wavelengths and the spectral contrast increased near absorption bands. However, in crusted surfaces, in which the halite cements, coats or overlays the mineral grains, the presence of halite has a different affect on the spectra. This work will examine the precipitation of halite and the formation of salt crusts for several sediment and brine mixtures. Laboratory measurements of thermal emission spectra for the crusts will be compared to previous studies for particulate mixtures of halite with minerals and well as to natural surface crusts. Detailed knowledge of such surfaces will allow for their discrimination and identification in terrestrial playa settings as well as in paleo-environments on Mars.

  12. Probing reaction mechanisms with time resolved infrared spectroscopy

    International Nuclear Information System (INIS)

    Jina, Omar S.

    2002-01-01

    Chapter 1 Introduction. A brief introduction to the study of reactive intermediates at both low and ambient temperatures is given. This includes a description of the techniques commonly employed to probe these intermediates, with a particular emphasis on TRIR spectroscopy. Many reactions investigated in this thesis have been performed in supercritical fluids, allowing the opportunity to study reactive species in solution at room temperature. Therefore, a brief explanation of supercritical fluids has been given. The experimental methods used within this thesis are also briefly described. Chapter 2 The Characterisation of Organometallic Noble Gas Complexes. A review of the previous studies concerning transition metal noble gas complexes is presented. A combination of TRIR spectroscopy and supercritical noble gas solvents has allowed the characterisation of the complexes, Cp'Rh(CO)(L) (Cp' = Cp or Cp*; L = Xe or Kr) in solution at room temperature. The decay rates of these complexes have been measured and compared with similar noble gas complexes. The activation parameters have been calculated and provide an insight into the reaction mechanism. These suggest that the reaction of the xenon complexes with CO proceeds with associative behaviour. Chapter 3 The Formation of Transition Metal Alkane Complexes. The co-ordination of an alkane to a transition metal complex is thought to be the key intermediate in the C-H activation reaction. This chapter introduces previous work reported on alkane complexes, including detailed investigations into the factors governing the reactivity of these complexes. Using supercritical fluids, the complexes, CpRe(CO) 2 (alkane) (alkane = CH 4 or C 2 H 6 ) have been characterised in solution at room temperature. The interaction of cyclopropane with the CpRe(CO) 2 fragment is investigated, where C-C bond cleavage is thought to occur. Chapter 4 An Investigation into the C-H Activation of Methane and Ethane in Solution at Room Temperature. The C

  13. Infrared Spectroscopy in Cancer Diagnosis and Chemotherapy Monitoring

    Science.gov (United States)

    Tolstorozhev, G. B.; Bel'kov, M. V.; Skornyakov, I. V.; Butra, V. A.; Pekhnyo, V. I.; Kozachkova, A. N.; Tsarik, N. I.; Kutsenko, I. P.; Sharykina, N. I.

    2014-07-01

    We demonstrate that IR spectroscopic analysis can be used in diagnosis and chemotherapy monitoring for cancers of various organs at the molecular level. We used Fourier transform IR spectroscopy to study human breast and thyroid tumor tissues which were removed during surgery. The characteristic frequencies of C = O stretching vibrations in the IR spectra of tissues of pathological foci were compared with data from histological examination. In the IR spectra of healthy tissues or for benign tumors, the most intense absorption bands ν(C = O) are located in the interval 1675-1650 cm-1. When malignant neoplasms are present in the organs, the intensity of the bands in this range of the spectrum is reduced, while the intensities of the absorption bands in the 1710-1680 cm-1 interval increase. We also studied lung tissue for mice of the C57B1/6 line for healthy tissue and after implantation of B-16 melanoma tumor. The IR spectra of healthy mouse lung tissue and mouse lung tissue with B-16 melanoma metastases in the region of the C = O stretching vibrations display the same differences. We found that when lung malignancy was treated with the optimal dose of a synthesized drug based on palladium complexes of methylenediphosphonic acid, the spectroscopic signs of the presence of metastases in the lungs disappear, and the IR spectrum of the lung tissue after treatment practically coincides with the spectrum of healthy lung tissue.

  14. Multipitched Diffraction Gratings for Surface Plasmon Resonance-Enhanced Infrared Reflection Absorption Spectroscopy.

    Science.gov (United States)

    Petefish, Joseph W; Hillier, Andrew C

    2015-11-03

    We demonstrate the application of metal-coated diffraction gratings possessing multiple simultaneous pitch values for surface enhanced infrared absorption (SEIRA) spectroscopy. SEIRA increases the magnitude of vibrational signals in infrared measurements by one of several mechanisms, most frequently involving the enhanced electric field associated with surface plasmon resonance (SPR). While the majority of SEIRA applications to date have employed nanoparticle-based plasmonic systems, recent advances have shown how various metals and structures lead to similar signal enhancement. Recently, diffraction grating couplers have been demonstrated as a highly tunable platform for SEIRA. Indeed, gratings are an experimentally advantageous platform due to the inherently tunable nature of surface plasmon excitation at these surfaces since both the grating pitch and incident angle can be used to modify the spectral location of the plasmon resonance. In this work, we use laser interference lithography (LIL) to fabricate gratings possessing multiple pitch values by subjecting photoresist-coated glass slides to repetitive exposures at varying orientations. After metal coating, these gratings produced multiple, simultaneous plasmon peaks associated with the multipitched surface, as identified by infrared reflectance measurements. These plasmon peaks could then be coupled to vibrational modes in thin films to provide localized enhancement of infrared signals. We demonstrate the flexibility and tunability of this platform for signal enhancement. It is anticipated that, with further refinement, this approach might be used as a general platform for broadband enhancement of infrared spectroscopy.

  15. Bio-analytical applications of mid-infrared spectroscopy using silver halide fiber-optic probes

    International Nuclear Information System (INIS)

    Heise, H.M.; Kuepper, L.; Butvina, L.N.

    2002-01-01

    Infrared-spectroscopy has proved to be a powerful method for the study of various biomedical samples, in particular for in-vitro analysis in the clinical laboratory and for non-invasive diagnostics. In general, the analysis of biofluids such as whole blood, urine, microdialysates and bioreactor broth media takes advantage of the fact that a multitude of analytes can be quantified simultaneously and rapidly without the need for reagents. Progress in the quality of infrared silver halide fibers enabled us to construct several flexible fiber-optic probes of different geometries, which are particularly suitable for the measurement of small biosamples. Recent trends show that dry film measurements by mid-infrared spectroscopy could revolutionize analytical tools in the clinical chemistry laboratory, and an example is given. Infrared diagnostic tools show a promising potential for patients, and minimal-invasive blood glucose assays or skin tissue pathology in particular cannot be left out using mid-infrared fiber-based probes. Other applications include the measurement of skin samples including penetration studies of vitamins and constituents of cosmetic cream formulations. A further field is the micro-domain analysis of biopsy samples from bog mummified corpses, and recent results on the chemistry of dermis and hair samples are reported. Another field of application, for which results are reported, is food analysis and bio-reactor monitoring

  16. Milk freezing point determination with infrared spectroscopy and thermistor cryoscopy method

    Directory of Open Access Journals (Sweden)

    Nataša Pintić Pukec

    2009-09-01

    Full Text Available Two analytical methods were used for determination of the freezing point on identical test raw milk samples. The aim of this research was to investigate possibility of usage infrared spectrometry method, with MilcoScan FT 6000 milk analyzer for determination of milk freezing point, comparing to results obtained by using a reference thermistor cryoscopy method with Cryoscope 4C3 analyzer. During period of four months, total of 320 milk samples were analyzed. Once a week milk samples were sampled at collection reservoirs from twenty milk producers. Milk freezing point was analyzed with each of investigated methods in three consecutive testing respectively repetition. The results of freezing point were recorded as higher by reference in comparison to infrared spectroscopy method. Mean difference from 1.31 to 5.28 m°C respectively 3.43 m°C was determined between results obtained with infrared spectroscopy and reference method. Mean repeatability results for both investigated methods showed slight difference, sr%=0.194 for the reference method and sr%=0.193 for the infrared spectrometry method. Statistically significant difference between the means of the obtained results with two different investigated methods (P>0.05; P>0,01 was not determined. The results indicate the conclusion that infrared spectroscopy method can be used for detecting adulteration of milk with water addition as screening method. Based upon the obtained results usage of infrared spectrometry method in determination of raw milk freezing point is recommended because it is faster and can be carried out with current analyzers used for determination of other milk quality parameters, for example analyzer MilkoScan FT 6000.

  17. TNP-AMP Binding to the Sarcoplasmic Reticulum Ca2+-ATPase Studied by Infrared Spectroscopy

    OpenAIRE

    Liu, Man; Barth, Andreas

    2003-01-01

    Infrared spectroscopy was used to monitor the conformational change of 2′,3′-O-(2,4,6-trinitrophenyl)adenosine 5′-monophosphate (TNP-AMP) binding to the sarcoplasmic reticulum Ca2+-ATPase. TNP-AMP binding was observed in a competition experiment: TNP-AMP is initially bound to the ATPase but is then replaced by β,γ-iminoadenosine 5′-triphosphate (AMPPNP) after AMPPNP release from P3-1-(2-nitrophenyl)ethyl AMPPNP (caged AMPPNP). The resulting infrared difference spectra are compared to those of...

  18. Quantification of changes in skin hydration and sebum after tape stripping using infrared spectroscopy

    Science.gov (United States)

    Ezerskaia, A.; Pereira, S. F.; Urbach, H. P.; Varghese, B.

    2017-02-01

    Skin barrier function relies on well balanced water and lipid system of stratum corneum. Optimal hydration and oiliness levels are indicators of skin health and integrity. We demonstrate an accurate and sensitive depth profiling of stratum corneum sebum and hydration levels using short wave infrared spectroscopy in the spectral range around 1720 nm. We demonstrate that short wave infrared spectroscopic technique combined with tape stripping can provide morequantitative and more reliable skin barrier function information in the low hydration regime, compared to conventional biophysical methods.

  19. Far-infrared spectroscopy of lanthanide-based molecular magnetic materials

    Energy Technology Data Exchange (ETDEWEB)

    Haas, Sabrina

    2015-05-13

    This thesis demonstrates the applicability of far-infrared spectroscopy for the study of the crystal-field splitting of lanthanides in single-molecular magnetic materials. The far-infrared studies of three different kinds of single-molecular-magnetic materials, a single-ion magnet, a single-chain magnet and an exchange-coupled cluster, yielded a deeper understanding of the crystal-field splitting of the lanthanides in these materials. In addition, our results offered the opportunity to gain a deeper insight into the relaxation processes of these materials.

  20. Differentiation of neotropical fish species with statistical analysis of fourier transform infrared photoacoustic spectroscopy data.

    Science.gov (United States)

    Almeida, Francylaine S; Lima, Sandro M; Andrade, Luis H C; Súarez, Yzel R

    2012-07-01

    Fourier transform infrared photoacoustic spectroscopy (FTIR-PAS) was applied to nineteen fish species in Brazil's Upper Paraná River basin to identify differences in the structural composition of their scales. To differentiate the species, a canonical discriminant analysis was used to indicate the most important absorption peaks in the mid-infrared region. Significant differences were found in the chemical composition of scales among the studied fish species, with Wilk's lambda = 5.2 × 10(-6), F((13,18,394)) = 37.57, and P absorbance is related to the biological traits of each species. This procedure can also be used to complement evolutionary studies.

  1. Intensity-modulated near-infrared spectroscopy: instrument design issues

    Science.gov (United States)

    Alford, Ken; Wickramasinghe, Yappa A.

    2000-05-01

    Tissue oxygenation instruments which rely on phase sensitive detection suffer form phase-amplitude crosstalk, i.e. the phase of the detected signal with respect to a reference signal is dependent on the average intensity of the light entering the photomultiplier tube (PMT). If an instrument that detects the phase of the scattered signal is to yield the phase accuracy required in order to provide useful clinical parameters, quantitative haemoglobin and oxy- haemoglobin concentrations (Hb), and (HbO2) and mixed arterial-venous saturation all sources of phase-amplitude effects must be understood. The phase-amplitude effect has in the past been attributed to the fact that the rise time of the detector decreases with increasing light intensity. In this work an additional phase-amplitude effect in intensity modulated near IR spectroscopy (IMNIRS) instrumentation is studied. The presence of a coherent interfering signal due to low level RF coupling at the detector output will corrupt the phase of the signal of interest and cause a phase-amplitude effect. Under certain conditions a relatively low level interfering RF signal can introduce a significant error in the slope of the phase per unit distance plot. A comparison between measured and modeled phase distortion is presented and ways to reduce the effect discussed. In addition to phase-amplitude effects, the final accuracy of the quantitative measurements made by an IMNIRS instrument depends heavily on the calibration. Calibration of the measured phase and the AC and DC components of the detected light must take into account distortions due to, (a) phase-amplitude crosstalk and system phase offset, (b) detector non-linearities, (c) variation in laser source intensity and phase with time and temperature, (d) optical probe light loss and (e) variations in detector sensitivity. Current instrument performance will be presented and discussed.

  2. Ultrasound tagged near infrared spectroscopy does not detect hyperventilation-induced reduction in cerebral blood flow

    DEFF Research Database (Denmark)

    Lund, Anton; Secher, Niels H.; Hirasawa, Ai

    2016-01-01

    Introduction: Continuous non-invasive monitoring of cerebral blood flow (CBF) may be important during anaesthesia and several options are available. We evaluated the CerOx monitor that employs ultrasound tagged near infrared spectroscopy to estimate changes in a CBF index (CFI).Methods: Seven...... by transcranial Doppler. Blood flow in the internal and external carotid artery (ICAf and ECAf) was determined using duplex ultrasonography and forehead skin blood flow (SkBF) and oxygenation (SskinO2) by laser Doppler and white light spectroscopy.Results: During hyperventilation MCAvmean and ICAf decreased by 44...

  3. Dynamical interactions between solute and solvent studied by nonlinear infrared spectroscopy

    International Nuclear Information System (INIS)

    Ohta, K.; Tominaga, K.

    2006-01-01

    Interactions between solute and solvent play an important role in chemical reaction dynamics and in many relaxation processes in condensed phases. Recently third-order nonlinear infrared (IR) spectroscopy has shown to be useful to investigate solute-solvent interaction and dynamics of the vibrational transition. These studies provide detailed information on the energy relaxation of the vibrationally excited state, and the time scale and the magnitude of the time correlation functions of the vibrational frequency fluctuations. In this work we have studied vibrational energy relaxation (VER) of solutions and molecular complexes by nonlinear IR spectroscopy, especially IR pump-probe method, to understand the microscopic interactions in liquids. (authors)

  4. Predicting the ethanol potential of wheat straw using near-infrared spectroscopy and chemometrics

    DEFF Research Database (Denmark)

    Rinnan, Åsmund; Bruun, Sander; Lindedam, Jane

    2017-01-01

    The combination of NIR spectroscopy and chemometrics is a powerful correlation method for predicting the chemical constituents in biological matrices, such as the glucose and xylose content of straw. However, difficulties arise when it comes to predicting enzymatic glucose and xylose release...... of using near-infrared spectroscopy to evaluate the ethanol potential of wheat straw by analyzing more than 1000 samples from different wheat varieties and growth conditions. During the calibration model development, the prime emphasis was to investigate the correlation structure between the two major...

  5. Moessbauer and infrared spectroscopy as a diagnostic tool for the characterization of ferric tannates

    Energy Technology Data Exchange (ETDEWEB)

    Jaen, Juan A., E-mail: jjaen@ancon.up.ac.p [Universidad de Panama, Depto. de Quimica Fisica, CITEN, Lab. No. 105, Edificio de Laboratorios Cientificos-VIP (Panama); Navarro, Cesar [Universidad de Panama, Escuela de Quimica, Facultad de Ciencias Naturales, Exactas y Tecnologia (Panama)

    2009-07-15

    Fourier transform infrared spectroscopy and Moessbauer spectroscopy are use for the characterization and qualitative analysis of hydrolysable and condensed tannates. The two classes of tannates may be differentiated from the characteristic IR pattern. Moessbauer proof that a mixture of mono- and bis-type ferric tannate complexes, and an iron(II)-tannin complex are obtained from the interaction of hydrolysable tannins (tannic acid and chestnut tannin) and condensed tannins (mimosa and quebracho) with a ferric nitrate solution. At pH 7, a partially hydrolyzed ferric tannate complex was also obtained.

  6. Moessbauer and infrared spectroscopy as a diagnostic tool for the characterization of ferric tannates

    International Nuclear Information System (INIS)

    Jaen, Juan A.; Navarro, Cesar

    2009-01-01

    Fourier transform infrared spectroscopy and Moessbauer spectroscopy are use for the characterization and qualitative analysis of hydrolysable and condensed tannates. The two classes of tannates may be differentiated from the characteristic IR pattern. Moessbauer proof that a mixture of mono- and bis-type ferric tannate complexes, and an iron(II)-tannin complex are obtained from the interaction of hydrolysable tannins (tannic acid and chestnut tannin) and condensed tannins (mimosa and quebracho) with a ferric nitrate solution. At pH 7, a partially hydrolyzed ferric tannate complex was also obtained.

  7. Catalytic oxidation of phosphorus on MoO3 as studied by infrared spectroscopy

    International Nuclear Information System (INIS)

    Paul, D.K.; Rao, L.F.; Yates, J.T. Jr.

    1992-01-01

    Transmission infrared spectroscopy and mass spectroscopy were used to study the decomposition and oxidation of phosphine on an MoO 3 /Al 2 O 3 supported catalyst at 300-800 K. At 573 K, phosphine decomposes and is oxidized to a HP=O surface species. At 673 K, further oxidation forms (HO) x P=O that desorbs from the surface around 773 K. This suggests that the MoO 3 /Al 2 O 3 catalyst may be useful for continuous organophosphorous catalytic oxidation. 30 refs., 12 figs., 1 tab

  8. Characterization of Modified and Polymer Coated Alumina Surfaces by Infrared Spectroscopy

    Directory of Open Access Journals (Sweden)

    Ashraf Yehia El-Naggar

    2013-01-01

    Full Text Available The prepared, modified, and coated alumina surfaces were characterized by infrared spectroscopy (FTIR to investigate the surface properties of the individual and double modified samples. FTIR helps in reporting the changes occurred in hydroxyl groups as well as the structure changes as a result of thermal treating, hydrothermal treating, silylation treating, alkali metal treating, coating, and bonding with polymer. FTIR spectroscopy represents the strength and abundance of surface acidic OH which determine the adsorption properties of polar and nonpolar sorbents. Generally, all treated samples exhibit decrease of OH groups compared with those of parent ones producing alumina surfaces of different adsorptive powers.

  9. Production of high temperature superconductors and characteristics by infrared and Raman spectroscopy

    International Nuclear Information System (INIS)

    Thomsen, C.

    1991-01-01

    This final report, which is partly kept short, is concerned with electron/phonon interaction and the determination of the band gap in high temperature superconductors (YBa 2 Cu 3 O 7 ). The final report is divided into four parts, which reflect the individual working groups: 1. Raman spectroscopy, 2. IR spectroscopy (reflection measurements, isotope effect, superconducting energy gap, behaviour of infrared active phonons), 3. Magnetic field measurements, and 4. Theory (initial calculation of the metal/isolator transfer in BaBiO 3 ). (MM) [de

  10. Infrared

    Science.gov (United States)

    Vollmer, M.

    2013-11-01

    underlying physics. There are now at least six different disciplines that deal with infrared radiation in one form or another, and in one or several different spectral portions of the whole IR range. These are spectroscopy, astronomy, thermal imaging, detector and source development and metrology, as well the field of optical data transmission. Scientists working in these fields range from chemists and astronomers through to physicists and even photographers. This issue presents examples from some of these fields. All the papers—though some of them deal with fundamental or applied research—include interesting elements that make them directly applicable to university-level teaching at the graduate or postgraduate level. Source (e.g. quantum cascade lasers) and detector development (e.g. multispectral sensors), as well as metrology issues and optical data transmission, are omitted since they belong to fundamental research journals. Using a more-or-less arbitrary order according to wavelength range, the issue starts with a paper on the physics of near-infrared photography using consumer product cameras in the spectral range from 800 nm to 1.1 µm [1]. It is followed by a series of three papers dealing with IR imaging in spectral ranges from 3 to 14 µm [2-4]. One of them deals with laboratory courses that may help to characterize the IR camera response [2], the second discusses potential applications for nondestructive testing techniques [3] and the third gives an example of how IR thermal imaging may be used to understand cloud cover of the Earth [4], which is the prerequisite for successful climate modelling. The next two papers cover the vast field of IR spectroscopy [5, 6]. The first of these deals with Fourier transform infrared spectroscopy in the spectral range from 2.5 to 25 µm, studying e.g. ro-vibrational excitations in gases or optical phonon interactions within solids [5]. The second deals mostly with the spectroscopy of liquids such as biofuels and special

  11. Identification of Chinese medicinal fungus Cordyceps sinensis by depth-profiling mid-infrared photoacoustic spectroscopy

    Science.gov (United States)

    Du, Changwen; Zhou, Jianmin; Liu, Jianfeng

    2017-02-01

    With increased demand for Cordyceps sinensis it needs rapid methods to meet the challenge of identification raised in quality control. In this study Cordyceps sinensis from four typical natural habitats in China was characterized by depth-profiling Fourier transform infrared photoacoustic spectroscopy. Results demonstrated that Cordyceps sinensis samples resulted in typical photoacoustic spectral appearance, but heterogeneity was sensed in the whole sample; due to the heterogeneity Cordyceps sinensis was represented by spectra of four groups including head, body, tail and leaf under a moving mirror velocity of 0.30 cm s- 1. The spectra of the four groups were used as input of a probabilistic neural network (PNN) to identify the source of Cordyceps sinensis, and all the samples were correctly identified by the PNN model. Therefore, depth-profiling Fourier transform infrared photoacoustic spectroscopy provides novel and unique technique to identify Cordyceps sinensis, which shows great potential in quality control of Cordyceps sinensis.

  12. [Research progress and application prospect of near infrared spectroscopy in soil nutrition analysis].

    Science.gov (United States)

    Ding, Hai-quan; Lu, Qi-peng

    2012-01-01

    "Digital agriculture" or "precision agriculture" is an important direction of modern agriculture technique. It is the combination of the modern information technique and traditional agriculture and becomes a hotspot field in international agriculture research in recent years. As a nondestructive, real-time, effective and exact analysis technique, near infrared spectroscopy, by which precision agriculture could be carried out, has vast prospect in agrology and gradually gained the recognition. The present paper intends to review the basic theory of near infrared spectroscopy and its applications in the field of agrology, pointing out that the direction of NIR in agrology should based on portable NIR spectrograph in order to acquire qualitative or quantitative information from real-time measuring in field. In addition, NIRS could be combined with space remote sensing to macroscopically control the way crop is growing and the nutrition crops need, to change the current state of our country's agriculture radically.

  13. 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...... and differences in these cells lines utilizing FTIR spectroscopy. We have used the chemometrical and statistical method principal component analysis (PCA) to investigate the spectral differences. We have been able to identify certain bands in the spectra which are so-called biomarkers for two types of cell lines......, three groups for the 5637 human bladder carcinoma cell line (5637A, 5637B and 5637C), and another one for the HeLa human cervix carcinoma cell line. The vibrational modes can be assigned to specific bands involving characteristic motions of the protein backbone. This work shows that infrared vibrational...

  14. Rapid Detection of Volatile Oil inMentha haplocalyxby Near-Infrared Spectroscopy and Chemometrics.

    Science.gov (United States)

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

    2017-01-01

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

  15. Phase Transition in Trans and Cis-1,2-Cyclohexanediol Studied by Infrared Spectroscopy

    OpenAIRE

    Leitão, M.; Nobre, C.; Jesus, J.; Redinha, J.

    1999-01-01

    Abstract The study of trans- and cis-1,2-cyclohexanediol by infrared spectroscopy was performed. The variation of the maximum frequency and of the bandwidth of the OH stretching vibration give evidence of the role played by hydrogen bonding in the solid and liquid phases of both isomers and allows to follow the phase transitions. A solid rotator phase is shown for the cis compound. http://dx.doi.org/10.1023/A:1010124928198

  16. Characterization and Differentiation of Kaolins from selected Czech Deposites using infrared spectroscopy and differential thermal analysis

    Czech Academy of Sciences Publication Activity Database

    Vaculíková, Lenka; Plevová, Eva; Vallová, S.; Koutník, I.

    2011-01-01

    Roč. 8, č. 1 (2011), s. 59-67 ISSN 1214-9705 R&D Projects: GA ČR GA105/08/1398; GA ČR GP105/07/P416 Institutional research plan: CEZ:AV0Z30860518 Keywords : kaolins * infrared spectroscopy * thermal analysis Subject RIV: DB - Geology ; Mineralogy Impact factor: 0.530, year: 2011 http://www.irsm.cas.cz/abstracts/AGG/01_11/5_Vaculikova.pdf

  17. 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...

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

    OpenAIRE

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

    2017-01-01

    Near-infrared spectroscopy combined with partial least squares regression (PLSR) and support vector machine (SVM) was applied for the rapid determination of chemical component of volatile oil content in Mentha haplocalyx. The effects of data pre-processing methods on the accuracy of the PLSR calibration models were investigated. The performance of the final model was evaluated according to the correlation coefficient (R) and root mean square error of prediction (RMSEP). For PLSR model, the be...

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

    OpenAIRE

    Ravipat Lapcharoensuk; Natrapee Nakawajana

    2018-01-01

    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 w...

  20. Neonatal hemodynamic response to visual cortex activity: high-density near-infrared spectroscopy study

    OpenAIRE

    Liao, Steve M.; Gregg, Nick M.; White, Brian R.; Zeff, Benjamin W.; Bjerkaas, Katelin A.; Inder, Terrie E.; Culver, Joseph P.

    2010-01-01

    The neurodevelopmental outcome of neonatal intensive care unit (NICU) infants is a major clinical concern with many infants displaying neurobehavioral deficits in childhood. Functional neuroimaging may provide early recognition of neural deficits in high-risk infants. Near-infrared spectroscopy (NIRS) has the advantage of providing functional neuroimaging in infants at the bedside. However, limitations in traditional NIRS have included contamination from superficial vascular dynamics in the s...

  1. Near-infrared spectroscopy can reveal increases in brain activity related to animal-assisted therapy

    OpenAIRE

    Morita, Yuka; Ebara, Fumio; Morita, Yoshimitsu; Horikawa, Etsuo

    2017-01-01

    [Purpose] Previous studies have indicated that animal-assisted therapy can promote recovery of psychological, social, and physiological function in mental disorders. This study was designed as a pilot evaluation of the use of near-infrared spectroscopy to objectively identify changes in brain activity that could mediate the effect of animal-assisted therapy. [Subjects and Methods] The participants were 20 healthy students (10 males and 10 females; age 19?21 years) of the Faculty of Agricultur...

  2. Quantitative near-infrared spectroscopy on patients with peripheral vascular disease

    OpenAIRE

    Franceschini, MA; Fantini, S; Palumbo, R; Pasqualini, L; Vaudo, G; Franceschini, E; Gratton, E; Palumbo, B; Innocente, S; Mannarino, E

    1997-01-01

    We have used near-infrared spectroscopy to measure the hemoglobin saturation at rest and during exercise on patients affected by peripheral vascular disease (PVD). The instrument used in our study is a frequency-domain tissue oximeter which employs intensity modulated (110 MHz) laser diodes. We examined 9 subjects, 3 of which were controls and 6 were patients affected by stage II PVD. The optical probe was located on the calf muscle of the subjects. The measurement protocol consisted of: (1) ...

  3. Multivariate Calibration Models for Sorghum Composition using Near-Infrared Spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Wolfrum, E.; Payne, C.; Stefaniak, T.; Rooney, W.; Dighe, N.; Bean, B.; Dahlberg, J.

    2013-03-01

    NREL developed calibration models based on near-infrared (NIR) spectroscopy coupled with multivariate statistics to predict compositional properties relevant to cellulosic biofuels production for a variety of sorghum cultivars. A robust calibration population was developed in an iterative fashion. The quality of models developed using the same sample geometry on two different types of NIR spectrometers and two different sample geometries on the same spectrometer did not vary greatly.

  4. How useful is the mid-infrared spectroscopy in the assessment of black carbon in soils

    OpenAIRE

    Rosa Arranz, José M. de la; González-Vila, Francisco Javier; González-Pérez, José Antonio; Almendros Martín, Gonzalo; Hernández, Zulimar; López Martín, María; Knicker, Heike

    2013-01-01

    Black carbon (BC), the recalcitrant continuum of products from incomplete combustion, includes char, charcoal and soot, being considered an important component of the global C cycle. However due to measurement uncertainties, the magnitude and distribution of BC is hardly known. In this study, a rapid and inexpensive spectroscopic technique, as it is mid-infrared spectroscopy in combination with oxidation procedures is proposed to quantify the recalcitrant aromatic fraction res...

  5. Direct Determination of Moisture in Powder Milk Using Near Infrared Spectroscopy

    OpenAIRE

    Nagarajan, R.; Singh, Parul; Mehrotra, Ranjana

    2006-01-01

    Moisture content in commercially available milk powder was investigated using near infrared (NIR) diffuse reflectance spectroscopy with an Indian low-cost dispersive NIR spectrophotometer. Different packets of milk powder of the same batch were procured from the market. Forty-five samples with moisture range 4–10% were prepared in the laboratory. Spectra of the samples were collected in the wavelength region 800–2500 nm. Moisture values of all the samples were simultaneously determined by Kar...

  6. Near infrared reflectance spectroscopy for the determination of free gossypol in cottonseed meal

    OpenAIRE

    Lordelo, M.M.; Shaaban, S.A.; Dale, N.M.; Calhoun, M.C.; Vendrel, P.F.; Davis, A.J.

    2008-01-01

    Gossypol is a toxic polyphenolic compound produced by the pigment glands of the cotton plant. The free gossypol content of cottonseed meal (CSM) is commonly determined by the American Oil Chemists’ Society (AOCS) wet chemistry method. The AOCS method, however, laboratory-intensive, time-consuming, and therefore, not practical for quick field analyses. To determine if the free gossypol content of CSM could be predicted by near infrared reflectance spectroscopy (NIRS), CSM sample...

  7. Study on evaluation of gamma oryzanol of germinated brown rice by near infrared spectroscopy

    OpenAIRE

    Kannapot Kaewsorn; Panmanas Sirisomboon

    2014-01-01

    Germinated brown rice (GBR) is rich in gamma oryzanol which increase its consumption popularity, particularly in the health food market. The objective of this research was to apply the near infrared spectroscopy (NIRS) for evaluation of gamma oryzanol of the germinated brown rice. The germinated brown rice samples were prepared from germinated rough rice (soaked for 24 and 48 h, incubated for 0, 6, 12, 18, 24, 30 and 36 h) and purchased from local supermarkets. The germinated brown rice sampl...

  8. Infrared spectroscopy for studying structure and aging effects in rhamnolipid biosurfactants

    OpenAIRE

    Kiefer, Johannes; Radzuan, Mohd Nazren; Winterburn, James

    2017-01-01

    Biosurfactants are produced by microorganisms and represent amphiphilic compounds with polar and non-polar moieties; hence they can be used to stabilize emulsions, e.g. in the cosmetic and food sectors. Their structure and its changes when exposed to light and elevated temperature are yet to be fully understood. In this study, we demonstrate that attenuated total reflection infrared (ATR-IR) spectroscopy is a useful tool for the analysis of biosurfactants, using rhamnolipids produced by ferme...

  9. Balloon-borne Infrared Telescope (BIRT) for far-infrared spectroscopy

    Science.gov (United States)

    Shibai, Hiroshi; Okuda, Haruyuki; Nakagawa, Takao; Yajima, Nobuyuki; Maihara, Toshinori; Mizutani, Kohei; Matsuhara, Hideo; Kobayashi, Yukiyasu; Hiromoto, Norihisa; Takami, Hideki

    1990-07-01

    The Japanese-made Balloon-borne Infrared Telescope (BIRT) designed for FIR astronomy is described. The BIRT system includes a 50-cm-diam telescope; an attitude-control system consisting of an attitude stabilization and a pointing and tracking subsystems; the ground support system consisting of four personal-computer systems; and electronics consisting of three small computer systems, servo circuits, power amplifiers, and other small circuits. Between 1985 and 1988, the BIRT has flown eight times, demonstrating that it is able to provide a suitable telescope observations on a stable platform with a long integration time. Structural diagrams of the BIRT overall system, the optical system, and the wobbling mechanism are presented along with a block diagram of the on-board electronics.

  10. Recent Advances in Laboratory Infrared Spectroscopy of Polycyclic Aromatic Hydrocarbons: PAHs in the Far Infrared

    Science.gov (United States)

    Mattioda, Andrew L.; Ricca, Alessandra; Tucker, Jonathan; Boersma, Christiaan; Bauschlicher, Charles, Jr.; Allamandola, Louis J.

    2010-01-01

    Over 25 years of observations and laboratory work have shown that the mid-IR spectra of a majority of astronomical sources are dominated by emission features near 3.3, 6.2, 7.7, and 11.2 microns, which originate in free polycyclic aromatic hydrocarbon (PAH) molecules. PAHs dominate the mid-IR emission from many galactic and extragalactic objects. As such, this material tracks a wide variety of astronomical processes, making this spectrum a powerful probe of the cosmos Apart from bands in the mid-IR, PAHs have bands spanning the Far-IR (FIR) and emission from these FIR features should be present in astronomical sources showing the Mid-IR PAH bands. However, with one exception, the FIR spectral characteristics are known only for a few neutral small PAHs trapped in salt pellets or oils at room temperature, data which is not relevant to astrophysics. Furthermore, since most emitting PAHs responsible for the mid-IR astronomical features are ionized, the absence of any experimental or theoretical PAH ion FIR spectra will make it impossible to correctly interpret the FIR data from these objects. In view of the upcoming Herschel space telescope mission and SOFIA's FIR airborne instrumentation, which will pioneer the FIR region, it is now urgent to obtain PAH FIR spectra. This talk will present an overview recent advances in the laboratory spectroscopy of PAHs, Highlighting the FIR spectroscopy along with some quantum calculations.

  11. Determination of fluidized bed granulation end point using near-infrared spectroscopy and phenomenological analysis.

    Science.gov (United States)

    Findlay, W Paul; Peck, Garnet R; Morris, Kenneth R

    2005-03-01

    Simultaneous real-time monitoring of particle size and moisture content by near-infrared spectroscopy through a window into the bed of a fluidized bed granulator is used to determine the granulation end point. The moisture content and particle size determined by the near-infrared monitor correlates well with off-line moisture content and particle size measurements. The measured particle size is modeled using a population balance approach, and the moisture content is shown to follow accepted models during drying. Given a known formulation, with predefined parameters for peak moisture content, final moisture content, and final granule size, the near-infrared monitoring system can be used to control a fluidized bed granulation by determining when binder addition should be stopped and when drying of the granules is complete. Copyright 2005 Wiley-Liss, Inc. and the American Pharmacists Association.

  12. Investigation of carbonates in the Sutter's Mill meteorite grains with hyperspectral infrared imaging micro-spectroscopy

    Science.gov (United States)

    Yesiltas, Mehmet

    2018-04-01

    Synchrotron-based high spatial resolution hyperspectral infrared imaging technique provides thousands of infrared spectra with high resolution, thus allowing us to acquire detailed spatial maps of chemical molecular structures for many grains in short times. Utilizing this technique, thousands of infrared spectra were analyzed at once instead of inspecting each spectrum separately. Sutter's Mill meteorite is a unique carbonaceous type meteorite with highly heterogeneous chemical composition. Multiple grains from the Sutter's Mill meteorite have been studied using this technique and the presence of both hydrous and anhydrous silicate minerals have been observed. It is observed that the carbonate mineralogy varies from simple to more complex carbonates even within a few microns in the meteorite grains. These variations, the type and distribution of calcite-like vs. dolomite-like carbonates are presented by means of hyperspectral FTIR imaging spectroscopy with high resolution. Various scenarios for the formation of different carbonate compositions in the Sutter's Mill parent body are discussed.

  13. Dataset of Near-infrared spectroscopy measurement for amylose determination using PLS algorithms

    Directory of Open Access Journals (Sweden)

    P. Sampaio

    2017-12-01

    Full Text Available In the dataset presented in this article, 168 rice samples comprising sixteen rice varieties (including Indica and Japonica sub species from a Portuguese Rice Breeding Program obtained from three different sites along four seasons, and 11 standard rice varieties from International Rice Research Institute were characterised. The amylose concentration was evaluated based on iodine method, and the near infrared (NIR spectra were determined. To assess the advantage of Near infrared spectroscopy, different rice varieties and specific algorithms based on Matlab software such as Standard Normal Variate (SNV, Multiple Scatter Calibration (MSC and Savitzky-Golay filter were used for NIR spectra pre-processing. Keywords: Amylose, Chemometrics, Near-infrared, PLS, Rice

  14. Infrared spectroscopy and thermal analysis of prepared cation exchangers from cellulosic materials

    International Nuclear Information System (INIS)

    Nada, A.M.A.; EI-Sherief, S.; Nasr, A.; Kamel, M.

    2005-01-01

    Different cation exchangers were prepared by incorporation of phosphate and sulfate groups into acid or alkali treated wood pulp. The molecular structure of these cation exchangers were followed by infrared spectroscopy and thermal degradation analysis technique. From infrared spectra, a new bands are seen at 1200 and 980 cm-1 in phosphorylated wood pulp due to the formation of C-O-P bond. Another bands were seen at 1400, 1200 and 980 cm-1 in phospho sulfonated wood pulp due to the formation of CO- P and C-O-S bonds. Also, it is seen from infrared spectra that the crystallinity index for acid treated wood pulp has a higher value than untreated and alkali treated wood pulp. On the other hand, the acid treated and phosphorylated acid treated wood pulp have a higher activation energy than untreated and phosphorylated alkali treated wood pulp

  15. How useful is the mid-infrared spectroscopy in the assessment of black carbon in soils

    Directory of Open Access Journals (Sweden)

    J.M. de la Rosa

    2013-09-01

    Full Text Available Black carbon (BC, the recalcitrant continuum of products from incomplete combustion, includes char, charcoal and soot, being considered an important component of the global C cycle. However due to measurement uncertainties, the magnitude and distribution of BC is hardly known. In this study, a rapid and inexpensive spectroscopic technique, as it is mid-infrared spectroscopy in combination with oxidation procedures is proposed to quantify the recalcitrant aromatic fraction resistant, which can effectively determine the proportion of BC in soils. This method was tested by using a wide variety soil samples of various origin, composition and properties. Results were contrasted by those obtained by applying solid-state Nuclear Magnetic Resonance (NMR spectroscopy. Mid-infrared spectroscopy showed a very high predicting potential in the case of samples with large concentrations of BC by taking advantage of the relative optical density of the 2920 cm-1 C–H stretching band. In the case of soils with low BC contents, the application of Partial Least Square Regression to baseline-subtracted, second-derivative Fourier-Transformed Infra-red (FT-IR spectra lead to significant (P<0.05 cross-validation models. By this procedure a considerable improvement in forecasting the aromatic fraction resistant to the chemical oxidation steps (BC-like material was obtained.

  16. Noncontact blood species identification method based on spatially resolved near-infrared transmission spectroscopy

    Science.gov (United States)

    Zhang, Linna; Sun, Meixiu; Wang, Zhennan; Li, Hongxiao; Li, Yingxin; Li, Gang; Lin, Ling

    2017-09-01

    The inspection and identification of whole blood are crucially significant for import-export ports and inspection and quarantine departments. In our previous research, we proved Near-Infrared diffuse transmitted spectroscopy method was potential for noninvasively identifying three blood species, including macaque, human and mouse, with samples measured in the cuvettes. However, in open sampling cases, inspectors may be endangered by virulence factors in blood samples. In this paper, we explored the noncontact measurement for classification, with blood samples measured in the vacuum blood vessels. Spatially resolved near-infrared spectroscopy was used to improve the prediction accuracy. Results showed that the prediction accuracy of the model built with nine detection points was more than 90% in identification between all five species, including chicken, goat, macaque, pig and rat, far better than the performance of the model built with single-point spectra. The results fully supported the idea that spatially resolved near-infrared spectroscopy method can improve the prediction ability, and demonstrated the feasibility of this method for noncontact blood species identification in practical applications.

  17. BACKGROUND AND STATE OF THEE ART OF NEAR INFRARED SPECTROSCOPY IN THE FOREST SECTOR BASE

    Directory of Open Access Journals (Sweden)

    Graciela Inês Bolzon de Muñiz

    2012-12-01

    Full Text Available http://dx.doi.org/10.5902/198050987567The knowledge of wood properties is the fundamental importance for the indication of the potential and use of this material. In the search for new alternatives for a fast, simple and reliable characterization, there are the non-destructive evaluations of wood. The near infrared spectroscopy (NIRS has been used as a non-destructive method that allows qualitative and quantitative information of the constituents of biomass through the interaction of electromagnetic waves with near-infrared next to the sample. This work aims to provide a review of the technique of near infrared spectroscopy and its application in forestry. The technique is used in virtually all areas due to the level of development that this technology has reached in recent years. NIR spectroscopy has proved a quick and efficient replacement of several tests that determine the quality of the wood. This is a literature review and state of the art on the theme.

  18. Near-infrared spectroscopy and microstructure of the scales of Sabethes ( Sabethes albiprivus (Diptera: Culicidae

    Directory of Open Access Journals (Sweden)

    Betina Westphal-Ferreira

    Full Text Available ABSTRACT Near-infrared spectroscopy and microstructure of the scales of Sabethes (Sabethes albiprivus (Diptera: Culicidae. Sabethes (Sabethes albiprivus Theobald individuals vary considerably in size and color of the reflections of the scales on their thorax, abdomen, antepronotal lobes and occiput. The goal of this study was to investigate and to characterize the differences in the color of the scales among preserved specimens and to analyze the differences in the microstructures of the scales that cover their bodies using near-infrared spectroscopy, and to evaluate whether the latter is efficient in distinguishing the populations. A total of 201 adult females were analyzed for the characterization of color patterns. In addition, absorbance spectra and scanning electron microscope images were obtained from them. As a result of color analysis, two variations were identified, one represented by specimens with yellow or green scales and the other with blue or purple scales. The same two variations were corroborated using NIRS. Analysis of the microstructure of the scales lining the mesonotum, occiput and antepronotal lobes resulted in the same variations. The three methodologies, near-infrared spectroscopy, scanning electron microscopy and coloration of the reflections of the scales revealed two variations within Sa. albiprivus.

  19. Determination of melamine of milk based on two-dimensional correlation infrared spectroscopy

    Science.gov (United States)

    Yang, Ren-jie; Liu, Rong; Xu, Kexin

    2012-03-01

    The adulteration of milk with harmful substances is a threat to public health and beyond question a serious crime. In order to develop a rapid, cost-effective, high-throughput analysis method for detecting of adulterants in milk, the discriminative analysis of melamine is established in milk based on the two-dimensional (2D) correlation infrared spectroscopy in present paper. Pure milk samples and adulterated milk samples with different content of melamine were prepared. Then the Fourier Transform Infrared spectra of all samples were measured at room temperature. The characteristics of pure milk and adulterated milk were studied by one-dimensional spectra. The 2D NIR and 2D IR correlation spectroscopy were calculated under the perturbation of adulteration concentration. In the range from 1400 to 1800 cm-1, two strong autopeaks were aroused by melamine in milk at 1464 cm-1 and 1560 cm-1 in synchronous spectrum. At the same time, the 1560 cm-1 band does not share cross peak with the 1464 cm-1 band, which further confirm that the two bands have the same origin. Also in the range from 4200 to 4800 cm-1, the autopeak was shown at 4648 cm-1 in synchronous spectrum of melamine in milk. 2D NIR-IR hetero-spectral correlation analysis confirmed that the bands at 1464, 1560 and 4648 cm-1 had the same origin. The results demonstrated that the adulterant can be discriminated correctly by 2D correlation infrared spectroscopy.

  20. Towards a Low-Cost Mobile Subcutaneous Vein Detection Solution Using Near-Infrared Spectroscopy

    Directory of Open Access Journals (Sweden)

    Simon Juric

    2014-01-01

    Full Text Available Excessive venipunctures are both time- and resource-consuming events, which cause anxiety, pain, and distress in patients, or can lead to severe harmful injuries. We propose a low-cost mobile health solution for subcutaneous vein detection using near-infrared spectroscopy, along with an assessment of the current state of the art in this field. The first objective of this study was to get a deeper overview of the research topic, through the initial team discussions and a detailed literature review (using both academic and grey literature. The second objective, that is, identifying the commercial systems employing near-infrared spectroscopy, was conducted using the PubMed database. The goal of the third objective was to identify and evaluate (using the IEEE Xplore database the research efforts in the field of low-cost near-infrared imaging in general, as a basis for the conceptual model of the upcoming prototype. Although the reviewed commercial devices have demonstrated usefulness and value for peripheral veins visualization, other evaluated clinical outcomes are less conclusive. Previous studies regarding low-cost near-infrared systems demonstrated the general feasibility of developing cost-effective vein detection systems; however, their limitations are restricting their applicability to clinical practice. Finally, based on the current findings, we outline the future research direction.

  1. [Analysis of soil humus and components after 26 years' fertilization by infrared spectroscopy method].

    Science.gov (United States)

    Zhang, Yu-Lan; Sun, Cai-Xia; Chen, Zhen-Hua; Li, Dong-Po; Liu, Xing-Bin; Chen, Li-Jun; Wu, Zhi-Jie; Du, Jian-Xiong

    2010-05-01

    The infrared spectrum was used to discuss structure change of soil humus and components of chemical groups in soil humic acids (HA) and fulvic acids (FA) isolated from soils in different fertilization treatment after 26 year's fertilization. The result indicated that using the infrared spectroscopy method for the determination of humus, humus fractions (HA and FA) and their structure is feasible. Fertilization affected the structure and content of soil humus and aromatization degree. After 26 years' fertilization, the infrared spectrum shapes with different treatments are similar, but the characteristic peak intensity is obviously different, which reflects the effects of different fertilization treatments on the structure and amounts of soil humus or functional groups. Compared with no fertilization, little molecule saccharides decreased and aryl-groups increased under application of inorganic fertilizer or combined application of organic and chemical fertilizer. The effect was greater in Treatment NPK and M+NPK than in Treatment M1 N and M2 N. Organic and NPK fertilizer increased the development of soil and increased soil quality to a certain extent. Results showed that organic fertilization increased aromatization degree of soil humus and humus fractions distinctly. The authors could estimate soil humus evolvement of different fertilization with infrared spectroscopy.

  2. Fourier transform infrared spectroscopy as a tool to study farmed and wild sea bass lipid composition.

    Science.gov (United States)

    Vidal, Natalia P; Goicoechea, Encarnación; Manzanos, María J; Guillén, María D

    2014-05-01

    The lipids of 16 farmed and wild European sea bass (Dicentrarchus labrax) samples were studied by Fourier transform infrared (FTIR) spectroscopy. The spectroscopic parameters which would be useful when distinguishing between both fish origins were analysed. It was shown, for the first time, that the frequency and the ratio between the absorbance of certain bands are efficient and reliable authentication tools for the origin of sea bass. Furthermore, relationships between infrared data and fish lipids composition referring to the molar percentage or concentration of certain acyl groups were also studied. It was proved that some infrared spectroscopic data (the frequency of certain bands or the ratio of the absorbance of others), are very closely related to the composition of sea bass lipids. It was shown for the first time that certain infrared spectroscopic data could predict, with a certain degree of approximation, the molar percentage, or concentration, of omega-3, docosahexaenoic (DHA) and di-unsaturated omega-6 (linoleic) in sea bass lipids. The consistency of the results confirms the usefulness of FTIR spectroscopy to detect frauds regarding sea bass origin, and to provide important compositional data about sea bass lipids from the nutritional and technological point of view. © 2013 Society of Chemical Industry.

  3. Discrimination of wild-growing and cultivated Lentinus edodes by tri-step infrared spectroscopy

    Science.gov (United States)

    Lin, Haojian; Liu, Gang; Yang, Weimei; An, Ran; Ou, Quanhong

    2018-01-01

    It's not easy to discriminate dried wild-growing Lentinus edodes (WL) and cultivated Lentinus edodes (CL) by conventional method based on the morphological inspection of fruiting bodies. In this paper, fruiting body samples of WL and CL are discriminated by a tri-step IR spectroscopy method, including Fourier transform infrared (FT-IR) spectroscopy, second derivatives infrared (SD-IR) spectroscopy and two-dimensional correlation infrared (2D-IR) spectroscopy under thermal perturbation. The results show that the FT-IR spectra of WL and CL are similar in holistic spectral profile. More significant differences are exhibited in their SD-IR spectra in the range of 1700 - 900 cm-1. Furthermore, more evident differences have been observed in their synchronous 2D-IR spectra in the range of 2970 - 2900, 1678 - 1390, 1250 -1104 and 1090 - 1030 cm-1. The CL has thirteen auto-peaks at 2958, 2921, 1649, 1563, 1450, 1218, 1192, 1161, 1140, 1110, 1082, 1065 and 1047 cm-1, in which the four strongest auto-peaks are at 2921, 1563, 1192 and 1082 cm-1. The WL shows fifteen auto-peaks at 2960, 2937, 2921, 1650, 1615, 1555, 1458, 1219, 1190, 1138, 1111, 1084, 1068, 1048 and 1033 cm-1, in which the four strongest auto-peaks are at 2921, 1650, 1190 and 1068 cm-1. This study shows the potential of FT-IR spectroscopy and 2D correlation analysis in a simple and quick distinction of wild-growing and cultivated mushrooms.

  4. Gasoline classification using near infrared (NIR) spectroscopy data: Comparison of multivariate techniques

    International Nuclear Information System (INIS)

    Balabin, Roman M.; Safieva, Ravilya Z.; Lomakina, Ekaterina I.

    2010-01-01

    Near infrared (NIR) spectroscopy is a non-destructive (vibrational spectroscopy based) measurement technique for many multicomponent chemical systems, including products of petroleum (crude oil) refining and petrochemicals, food products (tea, fruits, e.g., apples, milk, wine, spirits, meat, bread, cheese, etc.), pharmaceuticals (drugs, tablets, bioreactor monitoring, etc.), and combustion products. In this paper we have compared the abilities of nine different multivariate classification methods: linear discriminant analysis (LDA), quadratic discriminant analysis (QDA), regularized discriminant analysis (RDA), soft independent modeling of class analogy (SIMCA), partial least squares (PLS) classification, K-nearest neighbor (KNN), support vector machines (SVM), probabilistic neural network (PNN), and multilayer perceptron (ANN-MLP) - for gasoline classification. Three sets of near infrared (NIR) spectra (450, 415, and 345 spectra) were used for classification of gasolines into 3, 6, and 3 classes, respectively, according to their source (refinery or process) and type. The 14,000-8000 cm -1 NIR spectral region was chosen. In all cases NIR spectroscopy was found to be effective for gasoline classification purposes, when compared with nuclear magnetic resonance (NMR) spectroscopy or gas chromatography (GC). KNN, SVM, and PNN techniques for classification were found to be among the most effective ones. Artificial neural network (ANN-MLP) approach based on principal component analysis (PCA), which was believed to be efficient, has shown much worse results. We hope that the results obtained in this study will help both further chemometric (multivariate data analysis) investigations and investigations in the sphere of applied vibrational (infrared/IR, near-IR, and Raman) spectroscopy of sophisticated multicomponent systems.

  5. Gasoline classification using near infrared (NIR) spectroscopy data: Comparison of multivariate techniques

    Energy Technology Data Exchange (ETDEWEB)

    Balabin, Roman M., E-mail: balabin@org.chem.ethz.ch [Department of Chemistry and Applied Biosciences, ETH Zurich, 8093 Zurich (Switzerland); Safieva, Ravilya Z. [Gubkin Russian State University of Oil and Gas, 119991 Moscow (Russian Federation); Lomakina, Ekaterina I. [Faculty of Computational Mathematics and Cybernetics, Lomonosov Moscow State University, 119992 Moscow (Russian Federation)

    2010-06-25

    Near infrared (NIR) spectroscopy is a non-destructive (vibrational spectroscopy based) measurement technique for many multicomponent chemical systems, including products of petroleum (crude oil) refining and petrochemicals, food products (tea, fruits, e.g., apples, milk, wine, spirits, meat, bread, cheese, etc.), pharmaceuticals (drugs, tablets, bioreactor monitoring, etc.), and combustion products. In this paper we have compared the abilities of nine different multivariate classification methods: linear discriminant analysis (LDA), quadratic discriminant analysis (QDA), regularized discriminant analysis (RDA), soft independent modeling of class analogy (SIMCA), partial least squares (PLS) classification, K-nearest neighbor (KNN), support vector machines (SVM), probabilistic neural network (PNN), and multilayer perceptron (ANN-MLP) - for gasoline classification. Three sets of near infrared (NIR) spectra (450, 415, and 345 spectra) were used for classification of gasolines into 3, 6, and 3 classes, respectively, according to their source (refinery or process) and type. The 14,000-8000 cm{sup -1} NIR spectral region was chosen. In all cases NIR spectroscopy was found to be effective for gasoline classification purposes, when compared with nuclear magnetic resonance (NMR) spectroscopy or gas chromatography (GC). KNN, SVM, and PNN techniques for classification were found to be among the most effective ones. Artificial neural network (ANN-MLP) approach based on principal component analysis (PCA), which was believed to be efficient, has shown much worse results. We hope that the results obtained in this study will help both further chemometric (multivariate data analysis) investigations and investigations in the sphere of applied vibrational (infrared/IR, near-IR, and Raman) spectroscopy of sophisticated multicomponent systems.

  6. 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...

  7. Nondestructive determination of nutritional information in oilseed rape leaves using visible/near infrared spectroscopy and multivariate calibrations

    NARCIS (Netherlands)

    Liu Fei, [No Value; Nie PengCheng, [No Value; Huang Min, [No Value; Kong WenWen, [No Value; He Yong, [No Value

    Nitrogen, phosphorus and potassium content are the three most important nutritional parameters for growing oilseed rape. We investigated visible and near infrared (Vis/NIR) spectroscopy combined with chemometrics for the fast and nondestructive determination of nutritional information in oilseed

  8. Effects of alkaline earth metal ion complexation on amino acid zwitterion stability: Results from infrared action spectroscopy

    NARCIS (Netherlands)

    Bush, M. F.; Oomens, J.; Saykally, R. J.; Williams, E. R.

    2008-01-01

    The structures of isolated alkaline earth metal cationized amino acids are investigated using infrared multiple photon dissociation (IRMPD) spectroscopy and theory. These results indicate that arginine, glutamine, proline, serine, and valine all adopt zwitterionic structures when complexed with

  9. Combination of optical coherence tomography and near infrared spectroscopy enhances determination of articular cartilage composition and structure

    NARCIS (Netherlands)

    Sarin, Jaakko K; Rieppo, Lassi; Brommer, Harold; Afara, Isaac O.; Saarakkala, Simo; Töyräs, Juha

    2017-01-01

    Conventional arthroscopic evaluation of articular cartilage is subjective and poorly reproducible. Therefore, implementation of quantitative diagnostic techniques, such as near infrared spectroscopy (NIRS) and optical coherence tomography (OCT), is essential. Locations (n = 44) with various

  10. Brain oxygen saturation assessment in neonates using T2-prepared blood imaging of oxygen saturation and near-infrared spectroscopy

    DEFF Research Database (Denmark)

    Alderliesten, Thomas; De Vis, Jill B; Lemmers, Petra Ma

    2017-01-01

    Although near-infrared spectroscopy is increasingly being used to monitor cerebral oxygenation in neonates, it has a limited penetration depth. The T2-prepared Blood Imaging of Oxygen Saturation (T2-BIOS) magnetic resonance sequence provides an oxygen saturation estimate on a voxel-by-voxel basis......, without needing a respiratory calibration experiment. In 15 neonates, oxygen saturation measured by T2-prepared blood imaging of oxygen saturation and near-infrared spectroscopy were compared. In addition, these measures were compared to cerebral blood flow and venous oxygen saturation in the sagittal...... sinus. A strong linear relation was found between the oxygen saturation measured by magnetic resonance imaging and the oxygen saturation measured by near-infrared spectroscopy (R(2 )= 0.64, p infrared spectroscopy oxygen saturation...

  11. Near-infrared-excited confocal Raman spectroscopy advances in vivo diagnosis of cervical precancer.

    Science.gov (United States)

    Duraipandian, Shiyamala; Zheng, Wei; Ng, Joseph; Low, Jeffrey J H; Ilancheran, Arunachalam; Huang, Zhiwei

    2013-06-01

    Raman spectroscopy is a unique optical technique that can probe the changes of vibrational modes of biomolecules associated with tissue premalignant transformation. This study evaluates the clinical utility of confocal Raman spectroscopy over near-infrared (NIR) autofluorescence (AF) spectroscopy and composite NIR AF/Raman spectroscopy for improving early diagnosis of cervical precancer in vivo at colposcopy. A rapid NIR Raman system coupled with a ball-lens fiber-optic confocal Raman probe was utilized for in vivo NIR AF/Raman spectral measurements of the cervix. A total of 1240 in vivo Raman spectra [normal (n=993), dysplasia (n=247)] were acquired from 84 cervical patients. Principal components analysis (PCA) and linear discriminant analysis (LDA) together with a leave-one-patient-out, cross-validation method were used to extract the diagnostic information associated with distinctive spectroscopic modalities. The diagnostic ability of confocal Raman spectroscopy was evaluated using the PCA-LDA model developed from the significant principal components (PCs) [i.e., PC4, 0.0023%; PC5, 0.00095%; PC8, 0.00022%, (pspectroscopy coupled with PCA-LDA modeling yielded the diagnostic accuracy of 84.1% (a sensitivity of 81.0% and a specificity of 87.1%) for in vivo discrimination of dysplastic cervix. The receiver operating characteristic curves further confirmed that the best classification was achieved using confocal Raman spectroscopy compared to the composite NIR AF/Raman spectroscopy or NIR AF spectroscopy alone. This study illustrates that confocal Raman spectroscopy has great potential to improve early diagnosis of cervical precancer in vivo during clinical colposcopy.

  12. Cancer Discrimination Using Fourier Transform Near-Infrared Spectroscopy with Chemometric Models

    Directory of Open Access Journals (Sweden)

    Hui Chen

    2015-01-01

    Full Text Available Near-infrared (NIR spectroscopy technique offers many potential advantages as tool for biomedical analysis since it enables the subtle biochemical signatures related to pathology to be detected and extracted. In conjunction with advanced chemometrics, NIR spectroscopy opens the possibility of their use in cancer diagnosis. The study focuses on the application of near-infrared (NIR spectroscopy and classification models for discriminating colorectal cancer. A total of 107 surgical specimens and a corresponding NIR diffuse reflection spectral dataset were prepared. Three preprocessing methods were attempted and least-squares support vector machine (LS-SVM was used to build a classification model. The hybrid preprocessing of first derivative and principal component analysis (PCA resulted in the best LS-SVM model with the sensitivity and specificity of 0.96 and 0.96 for the training and 0.94 and 0.96 for test sets, respectively. The similarity performance on both subsets indicated that overfitting did not occur, assuring the robustness and reliability of the developed LS-SVM model. The area of receiver operating characteristic (ROC curve was 0.99, demonstrating once again the high prediction power of the model. The result confirms the applicability of the combination of NIR spectroscopy, LS-SVM, PCA, and first derivative preprocessing for cancer diagnosis.

  13. High resolution spectroscopy of six SOCl2 isotopologues from the microwave to the far-infrared

    Science.gov (United States)

    Martin-Drumel, M. A.; Roucou, A.; Brown, G. G.; Thorwirth, S.; Pirali, O.; Mouret, G.; Hindle, F.; McCarthy, M. C.; Cuisset, A.

    2016-02-01

    Despite its potential role as an atmospheric pollutant, thionyl chloride, SOCl2, remains poorly characterized in the gas phase. In this study, the pure rotational and ro-vibrational spectra of six isotopologues of this molecule, all detected in natural abundance, have been extensively studied from the cm-wave band to the far-infrared region by means of three complementary techniques: chirped-pulse Fourier transform microwave spectroscopy, sub-millimeter-wave spectroscopy using frequency multiplier chain, and synchrotron-based far-infrared spectroscopy. Owing to the complex line pattern which results from two nuclei with non-zero spins, new, high-level quantum-chemical calculations of the hyperfine structure played a crucial role in the spectroscopic analysis. From the combined experimental and theoretical work, an accurate semi-experimental equilibrium structure (reSE) of SOCl2 has been derived. With the present data, spectroscopy-based methods can now be applied with confidence to detect and monitor this species, either by remote sensing or in situ.

  14. 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

    2016-01-05

    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. Copyright © 2015 Elsevier B.V. All rights reserved.

  15. spectroscopy

    African Journals Online (AJOL)

    Aghomotsegin

    2015-10-14

    Oct 14, 2015 ... Full Length Research Paper. Determination of lactic acid bacteria in Kaşar cheese and identification by Fourier transform infrared (FTIR) spectroscopy. İlkay Turhan1* and Zübeyde Öner2. 1Department of Nutrition and Dietetic, School of Health Sciences, T.C.Istanbul Arel University, 34537 Buyukcekmece /.

  16. Rapid Quantitative Analysis of the Major Components in Soymilk Using Fourier-Transform Infrared Spectroscopy (FT-IR)

    OpenAIRE

    NAKASATO, Katsuhiko; ONO, Tomotada; ISHIGURO, Takahiro; TAKAMATSU, Michihiko; TSUKAMOTO, Chigen; MIKAMI, Masayuki

    2004-01-01

    Fourier-transform infrared spectroscopy (FT-IR) on attenuated total reflectance (ATR) sampling was used for the quantitative analysis of the major components (protein, lipid, and sugar) in soymilk. Since mid-infrared spectroscopy shows specific absorption of each functional group of each molecule, it is possible to determine the amount of each component without complicated statistical computation. The determination of protein content was performed by using amide II absorbance at wavenumber 15...

  17. Systematic review of clinical applications of monitoring muscle tissue oxygenation with near-infrared spectroscopy in vascular disease

    NARCIS (Netherlands)

    Boezeman, Reinout P E; Moll, Frans L.; Ünlü, Çağdaş; de Vries, Jean Paul P M

    2016-01-01

    Background: The use of wavelengths of the near-infrared region by near-infrared spectroscopy (NIRS) has been studied for several applications in vascular disease. This systematic review aims to explore the clinical relevance of monitoring muscle tissue oxygenation in vascular disease with NIRS.

  18. [Rapid determination of fatty acids in soybean oils by transmission reflection-near infrared spectroscopy].

    Science.gov (United States)

    Song, Tao; Zhang, Feng-ping; Liu, Yao-min; Wu, Zong-wen; Suo, You-rui

    2012-08-01

    In the present research, a novel method was established for determination of five fatty acids in soybean oil by transmission reflection-near infrared spectroscopy. The optimum conditions of mathematics model of five components (C16:0, C18:0, C18:1, C18:2 and C18:3) were studied, including the sample set selection, chemical value analysis, the detection methods and condition. Chemical value was analyzed by gas chromatography. One hundred fifty eight samples were selected, 138 for modeling set, 10 for testing set and 10 for unknown sample set. All samples were placed in sample pools and scanned by transmission reflection-near infrared spectrum after sonicleaning for 10 minute. The 1100-2500 nm spectral region was analyzed. The acquisition interval was 2 nm. Modified partial least square method was chosen for calibration mode creating. Result demonstrated that the 1-VR of five fatty acids between the reference value of the modeling sample set and the near infrared spectrum predictive value were 0.8839, 0.5830, 0.9001, 0.9776 and 0.9596, respectively. And the SECV of five fatty acids between the reference value of the modeling sample set and the near infrared spectrum predictive value were 0.42, 0.29, 0.83, 0.46 and 0.21, respectively. The standard error of the calibration (SECV) of five fatty acids between the reference value of testing sample set and the near infrared spectrum predictive value were 0.891, 0.790, 0.900, 0.976 and 0.942, respectively. It was proved that the near infrared spectrum predictive value was linear with chemical value and the mathematical model established for fatty acids of soybean oil was feasible. For validation, 10 unknown samples were selected for analysis by near infrared spectrum. The result demonstrated that the relative standard deviation between predict value and chemical value was less than 5.50%. That was to say that transmission reflection-near infrared spectroscopy had a good veracity in analysis of fatty acids of soybean oil.

  19. Unraveling the unknown areas of the human metabolome: the role of infrared ion spectroscopy.

    Science.gov (United States)

    Martens, Jonathan; Berden, Giel; Bentlage, Herman; Coene, Karlien L M; Engelke, Udo F; Wishart, David; van Scherpenzeel, Monique; Kluijtmans, Leo A J; Wevers, Ron A; Oomens, Jos

    2018-03-19

    The identification of molecular biomarkers is critical for diagnosing and treating patients and for establishing a fundamental understanding of the pathophysiology and underlying biochemistry of inborn errors of metabolism. Currently, liquid chromatography/high-resolution mass spectrometry and nuclear magnetic resonance spectroscopy are the principle methods used for biomarker research and for structural elucidation of small molecules in patient body fluids. While both are powerful techniques, several limitations exist that often make the identification of unknown compounds challenging. Here, we describe how infrared ion spectroscopy has the potential to be a valuable orthogonal technique that provides highly-specific molecular structure information while maintaining ultra-high sensitivity. Here, we characterize and distinguish two well-known biomarkers of inborn errors of metabolism, glutaric acid for glutaric aciduria and ethylmalonic acid for short-chain acyl-CoA dehydrogenase deficiency, using infrared ion spectroscopy. In contrast to tandem mass spectra, in which ion fragments can hardly be predicted, we show that the prediction of an IR spectrum allows reference-free identification in the case that standard compounds are either commercially or synthetically unavailable. Finally, we illustrate how functional group information can be obtained from an IR spectrum for an unknown and how this is valuable information to, for example, narrow down a list of candidate structures resulting from a database query. Early diagnosis in inborn errors of metabolism is crucial for enabling treatment and depends on the identification of biomarkers specific for the disorder. Infrared ion spectroscopy has the potential to play a pivotal role in the identification of challenging biomarkers.

  20. Sequence-Dependent Mechanism of DNA Oligonucleotide Dehybridization Resolved through Infrared Spectroscopy.

    Science.gov (United States)

    Sanstead, Paul J; Stevenson, Paul; Tokmakoff, Andrei

    2016-09-14

    Despite its important role in biology and nanotechnology, many questions remain regarding the molecular mechanism and dynamics by which oligonucleotides recognize and hybridize to their complementary sequence. The thermodynamics and kinetics of DNA oligonucleotide hybridization and dehybridization are often assumed to involve an all-or-nothing two-state dissociation pathway, but deviations from this behavior can be considerable even for short sequences. We introduce a new strategy to characterize the base-pair-specific thermal dissociation mechanism of DNA oligonucleotides through steady-state and time-resolved infrared spectroscopy. Experiments are interpreted with a lattice model to provide a structure-specific interpretation. This method is applied to a model set of self-complementary 10-base-pair sequences in which the placement of GC base pairs is varied in an otherwise AT strand. Through a combination of Fourier transform infrared and two-dimensional infrared spectroscopy, experiments reveal varying degrees of deviation from simple two-state behavior. As the temperature is increased, duplexes dissociate through a path in which the terminal bases fray, without any significant contribution from loop configurations. Transient temperature jump experiments reveal time scales of 70-100 ns for fraying and 10-30 μs for complete dissociation near the melting temperature. Whether or not frayed states are metastable intermediates or short-lived configurations during the full dissociation of the duplex is dictated by the nucleobase sequence.

  1. Exploration of in vivo Effect Assessment Factor Monitoring by Near-infrared Spectroscopy during LITT

    Energy Technology Data Exchange (ETDEWEB)

    Qian Aiping; Hua Guoran; Zhang Hua [Department of Biomedical Engineering, Nanjing University of Aeronautics and Astronautics, Nanjing, Jiangsu 210016 (China); Qian Zhiyu, E-mail: huagr@ntu.edu.cn

    2011-02-01

    By studying the variation trends of the absorption coefficient ({mu}{sub a}) and the reduced scattering coefficient ({mu}'{sub s}), which were monitored in vivo by functional near infrared spectroscopy (fNIRS) system in real time during laser induced interstitial thermotherapy (LITT), the optimized near infrared effect assessment factor would be explored. In vivo measurements of the absorption coefficient (u{sub a}) and the reduced scattering coefficient (u'{sub s}) were performed with a functional near infrared spectroscopy system during LITT. Fresh porcine liver tissue samples in vitro and the subcutaneous implanted rat liver cancers were examined in different laser doses and define heating times. The absorption coefficient obtained by the fNIRS increased in the pork liver experiments, but decreased in the rat liver cancer experiments. The reduced scattering coefficient increased in the pork liver experiments and the rat liver cancer experiments, it increased quickly at beginning, and gradually reached the stable state. Therefore, the reduced scattering coefficient is more suitable for reflecting the progress of damage during different biological tissues' LITT than the absorption coefficient. This conclusion will effectively guide the study of suitable therapy effect assessment system during LITT in real time.

  2. Exploration of in vivo Effect Assessment Factor Monitoring by Near-infrared Spectroscopy during LITT

    Science.gov (United States)

    Qian, Ai-ping; Hua, Guo-ran; Zhang, Hua; Qian, Zhi-yu

    2011-02-01

    By studying the variation trends of the absorption coefficient (μa) and the reduced scattering coefficient (μ's), which were monitored in vivo by functional near infrared spectroscopy (fNIRS) system in real time during laser induced interstitial thermotherapy (LITT), the optimized near infrared effect assessment factor would be explored. In vivo measurements of the absorption coefficient (ua) and the reduced scattering coefficient (u's) were performed with a functional near infrared spectroscopy system during LITT. Fresh porcine liver tissue samples in vitro and the subcutaneous implanted rat liver cancers were examined in different laser doses and define heating times. The absorption coefficient obtained by the fNIRS increased in the pork liver experiments, but decreased in the rat liver cancer experiments. The reduced scattering coefficient increased in the pork liver experiments and the rat liver cancer experiments, it increased quickly at beginning, and gradually reached the stable state. Therefore, the reduced scattering coefficient is more suitable for reflecting the progress of damage during different biological tissues' LITT than the absorption coefficient. This conclusion will effectively guide the study of suitable therapy effect assessment system during LITT in real time.

  3. [Near infrared spectroscopy analysis method of maize hybrid seed purity discrimination].

    Science.gov (United States)

    Huang, Hua-Jun; Yan, Yan-Lu; Shen, Bing-Hui; Liu, Zhe; Gu, Jian-Cheng; Li, Shao-Ming; Zhu, De-Hai; Zhang, Xiao-Dong; Ma, Qin; Li, Lin; An, Dong

    2014-05-01

    Near infrared spectroscopy analysis method of discrimination of maize hybrid seed purity was studied with the sample of Nong Hua 101 (NH101) from different origins and years. Spectral acquisition time lasted for 10 months. Using Fourier transform (FT) near infrared spectroscopy instruments, including 23 days in different seasons (divided into five time periods), a total of 920 near infrared diffuse reflectance spectra of single corn grain of those samples were collected. Moving window average, first derivative and vector normalization were used to pretreat all original spectra, principal component analysis (PCA) and linear discriminant analysis (LDA) were applied to reduce data dimensionality, and the discrimination model was established based on biomimetic pattern recognition (BPR) method. Spectral distortion was calibrated by spectra pretreatment, which makes characteristics spatial distribution range of sample spectra set contract. The relative distance between hybrid and female parent increased by nearly 70-fold, and the discrimination model achieved the identification of hybrid and female parent seeds. Through the choice of representative samples, the model's response capacity to the changes in spectral acquisition time, place and environment, etc. was improved. Besides, the model's response capacity to the changes in time and site of seed production was also improved, and the robustness of the model was enhanced. The average correct acceptance rate (CAR) of the test set reached more than 95% while the average correct rejection rate (CRR) of the test set also reached 85%.

  4. Quantitative Determination of Germinability of Puccinia striiformis f. sp. tritici Urediospores Using Near Infrared Spectroscopy Technology

    Directory of Open Access Journals (Sweden)

    Yaqiong Zhao

    2015-01-01

    Full Text Available Stripe rust caused by Puccinia striiformis f. sp. tritici (Pst is an important disease on wheat. In this study, quantitative determination of germinability of Pst urediospores was investigated by using near infrared reflectance spectroscopy (NIRS combined with quantitative partial least squares (QPLS and support vector regression (SVR. The near infrared spectra of the urediospore samples were acquired using FT-NIR MPA spectrometer and the germination rate of each sample was measured using traditional spore germination method. The best QPLS model was obtained with vector correction as the preprocessing method of the original spectra and 4000–12000 cm−1 as the modeling spectral region while the modeling ratio of the training set to the testing set was 4 : 1. The best SVR model was built when vector normalization was used as the preprocessing method, the modeling ratio was 5 : 1 and the modeling spectral region was 8000–11000 cm−1. The results showed that the effect of the best model built using QPLS or SVR was satisfactory. This indicated that quantitative determination of germinability of Pst urediospores using near infrared spectroscopy technology is feasible. A new method based on NIRS was provided for rapid, automatic, and nondestructive determination of germinability of Pst urediospores.

  5. 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.

  6. Application of miniaturized near-infrared spectroscopy for quality control of extemporaneous orodispersible films.

    Science.gov (United States)

    Foo, Wen Chin; Widjaja, Effendi; Khong, Yuet Mei; Gokhale, Rajeev; Chan, Sui Yung

    2018-02-20

    Extemporaneous oral preparations are routinely compounded in the pharmacy due to a lack of suitable formulations for special populations. Such small-scale pharmacy preparations also present an avenue for individualized pharmacotherapy. Orodispersible films (ODF) have increasingly been evaluated as a suitable dosage form for extemporaneous oral preparations. Nevertheless, as with all other extemporaneous preparations, safety and quality remain a concern. Although the United States Pharmacopeia (USP) recommends analytical testing of compounded preparations for quality assurance, pharmaceutical assays are typically not routinely performed for such non-sterile pharmacy preparations, due to the complexity and high cost of conventional assay methods such as high performance liquid chromatography (HPLC). Spectroscopic methods including Raman, infrared and near-infrared spectroscopy have been successfully applied as quality control tools in the industry. The state-of-art benchtop spectrometers used in those studies have the advantage of superior resolution and performance, but are not suitable for use in a small-scale pharmacy setting. In this study, we investigated the application of a miniaturized near infrared (NIR) spectrometer as a quality control tool for identification and quantification of drug content in extemporaneous ODFs. Miniaturized near infrared (NIR) spectroscopy is suitable for small-scale pharmacy applications in view of its small size, portability, simple user interface, rapid measurement and real-time prediction results. Nevertheless, the challenge with miniaturized NIR spectroscopy is its lower resolution compared to state-of-art benchtop equipment. We have successfully developed NIR spectroscopy calibration models for identification of ODFs containing five different drugs, and quantification of drug content in ODFs containing 2-10mg ondansetron (OND). The qualitative model for drug identification produced 100% prediction accuracy. The quantitative

  7. Infrared spectroscopy with multivariate analysis to interrogate endometrial tissue: a novel and objective diagnostic approach.

    Science.gov (United States)

    Taylor, S E; Cheung, K T; Patel, I I; Trevisan, J; Stringfellow, H F; Ashton, K M; Wood, N J; Keating, P J; Martin-Hirsch, P L; Martin, F L

    2011-03-01

    Endometrial cancer is the most common gynaecological malignancy in the United Kingdom. Diagnosis currently involves subjective expert interpretation of highly processed tissue, primarily using microscopy. Previous work has shown that infrared (IR) spectroscopy can be used to distinguish between benign and malignant cells in a variety of tissue types. Tissue was obtained from 76 patients undergoing hysterectomy, 36 had endometrial cancer. Slivers of endometrial tissue (tumour and tumour-adjacent tissue if present) were dissected and placed in fixative solution. Before analysis, tissues were thinly sliced, washed, mounted on low-E slides and desiccated; 10 IR spectra were obtained per slice by attenuated total reflection Fourier-transform IR (ATR-FTIR) spectroscopy. Derived data was subjected to principal component analysis followed by linear discriminant analysis. Post-spectroscopy analyses, tissue sections were haematoxylin and eosin-stained to provide histological verification. Using this approach, it is possible to distinguish benign from malignant endometrial tissue, and various subtypes of both. Cluster vector plots of benign (verified post-spectroscopy to be free of identifiable pathology) vs malignant tissue indicate the importance of the lipid and secondary protein structure (Amide I and Amide II) regions of the spectrum. These findings point towards the possibility of a simple objective test for endometrial cancer using ATR-FTIR spectroscopy. This would facilitate earlier diagnosis and so reduce the morbidity and mortality associated with this disease.

  8. Rapid analysis of the chemical composition of agricultural fibers using near infrared spectroscopy and pyrolysis molecular beam mass spectrometry

    Science.gov (United States)

    Stephen S. Kelley; Roger M. Rowell; Mark Davis; Cheryl K. Jurich; Rebecca Ibach

    2004-01-01

    The chemical composition of a variety of agricultural biomass samples was analyzed with near infrared spectroscopy and pyrolysis molecular beam mass spectroscopy. These samples were selected from a wide array of agricultural residue samples and included residues that had been subjected to a variety of di2erent treatments including solvent extractions and chemical...

  9. Quantification of SOC and Clay Content Using Visible Near-Infrared Reflectance–Mid-Infrared Reflectance Spectroscopy With Jack-Knifing Partial Least Squares Regression

    DEFF Research Database (Denmark)

    Peng, Yi; Knadel, Maria; Gislum, René

    2014-01-01

    A total of 125 soil samples were collected from a Danish field varying in soil texture from sandy to loamy. Visible near-infrared reflectance (Vis-NIR) and mid-infrared reflectance (MIR) spectroscopy combined with chemometric methods were used to predict soil organic carbon (SOC) and clay contents...... of error. Partial least squares regression with JK simplified and enhanced the interpretation of the developed models because of a reduction in the number of variables used in the models...

  10. Infrared Spectroscopy as a Versatile Analytical Tool for the Quantitative Determination of Antioxidants in Agricultural Products, Foods and Plants

    Science.gov (United States)

    Cozzolino, Daniel

    2015-01-01

    Spectroscopic methods provide with very useful qualitative and quantitative information about the biochemistry and chemistry of antioxidants. Near infrared (NIR) and mid infrared (MIR) spectroscopy are considered as powerful, fast, accurate and non-destructive analytical tools that can be considered as a replacement of traditional chemical analysis. In recent years, several reports can be found in the literature demonstrating the usefulness of these methods in the analysis of antioxidants in different organic matrices. This article reviews recent applications of infrared (NIR and MIR) spectroscopy in the analysis of antioxidant compounds in a wide range of samples such as agricultural products, foods and plants. PMID:26783838

  11. Voxel-based measurement sensitivity of spatially resolved near-infrared spectroscopy in layered tissues.

    Science.gov (United States)

    Niwayama, Masatsugu

    2018-03-01

    We quantitatively investigated the measurement sensitivity of spatially resolved spectroscopy (SRS) across six tissue models: cerebral tissue, a small animal brain, the forehead of a fetus, an adult brain, forearm muscle, and thigh muscle. The optical path length in the voxel of the model was analyzed using Monte Carlo simulations. It was found that the measurement sensitivity can be represented as the product of the change in the absorption coefficient and the difference in optical path length in two states with different source-detector distances. The results clarified the sensitivity ratio between the surface layer and the deep layer at each source-detector distance for each model and identified changes in the deep measurement area when one of the detectors was close to the light source. A comparison was made with the results from continuous-wave spectroscopy. The study also identified measurement challenges that arise when the surface layer is inhomogeneous. Findings on the measurement sensitivity of SRS at each voxel and in each layer can support the correct interpretation of measured values when near-infrared oximetry or functional near-infrared spectroscopy is used to investigate different tissue structures. (2018) COPYRIGHT Society of Photo-Optical Instrumentation Engineers (SPIE).

  12. 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.

  13. New PLS analysis approach to wine volatile compounds characterization by near infrared spectroscopy (NIR).

    Science.gov (United States)

    Genisheva, Z; Quintelas, C; Mesquita, D P; Ferreira, E C; Oliveira, J M; Amaral, A L

    2018-04-25

    This work aims to explore the potential of near infrared (NIR) spectroscopy to quantify volatile compounds in Vinho Verde wines, commonly determined by gas chromatography. For this purpose, 105 Vinho Verde wine samples were analyzed using Fourier transform near infrared (FT-NIR) transmission spectroscopy in the range of 5435 cm -1 to 6357 cm -1 . Boxplot and principal components analysis (PCA) were performed for clusters identification and outliers removal. A partial least square (PLS) regression was then applied to develop the calibration models, by a new iterative approach. The predictive ability of the models was confirmed by an external validation procedure with an independent sample set. The obtained results could be considered as quite good with coefficients of determination (R 2 ) varying from 0.94 to 0.97. The current methodology, using NIR spectroscopy and chemometrics, can be seen as a promising rapid tool to determine volatile compounds in Vinho Verde wines. Copyright © 2017 Elsevier Ltd. All rights reserved.

  14. Fourier Transform Infrared Spectroscopy: A Potential Technique for Noninvasive Detection of Spermatogenesis

    Science.gov (United States)

    Gilany, Kambiz; Pouracil, Roudabeh Sadat Moazeni; Sadeghi, Mohammad Reza

    2014-01-01

    Background The seminal plasma is an excellent source for noninvasive detection of spermatogenesis. The seminal plasma of normospermic and azoospermic men has been analyzed for detection of spermatogenesis. Methods Optical spectroscopy (Attenuated Total Reflectance-Infrared spectroscopy (ATR-IR) and Fourier Transform infrared spectroscopy (FT-IR) has been used to analyze the seminal plasma and the metabolome of seminal plasma for detection of spermatogenesis. Results The seminal plasma of normospermic and azoospermic men has been analyzed by ATR-IR. The results show that there is a pattern variation in the azoospermic men compared to normospermic men. However, the seminal plasma is too complex to show significant pattern variation. Therefore, the metabolome which is a subcomponent of the seminal plasma was analyzed. The seminal plasma metabolome of normospermic and azoospermic men has been analyzed by FT-IR. A significant pattern change was observed. The data combined with chemometrics analysis showed that significant changes are observed at metabolome level. Conclusion We suggest that FT-IR has the potential as a diagnostic tool instead of testicular biopsy. PMID:24523955

  15. Identification of standard explosive traces by infrared laser spectroscopy: PCA on LPAS data

    Science.gov (United States)

    Giubileo, G.; Colao, F.; Puiu, A.

    2012-06-01

    Infrared spectroscopy based methods are promising in the design of an integrated optical system for the real time detection and identification of explosive species to support homeland security. Infrared laser photoacoustic spectroscopy (LPAS) analysis of explosive compounds (DNT; TNT; RDX; HMX; TATP; PETN; TETRYL) and TOLUENE was reported. Standard commercial samples of the explosive species were analyzed in solid phase by a home made PAS apparatus equipped with a stabilized 10 W continuous wave CO2 laser source. A very small amount (less than 100 μg) of the sample was sufficient to produce a clear signal in a 3 cc volume PA cell. The spectral data were treated by a principal component analysis (PCA) based algorithm. In a three principal components representation of the results, every explosive species resulted to be very well distinguishable from each other, as well as from toluene and other solvents. The reported experimental activity was performed in the Molecular Spectroscopy Laboratory of ENEA Research Centre in Frascati in the frame of ISOTREX European Project.

  16. Visible-near infrared spectroscopy as a tool to improve mapping of soil properties

    Science.gov (United States)

    Evgrafova, Alevtina; Kühnel, Anna; Bogner, Christina; Haase, Ina; Shibistova, Olga; Guggenberger, Georg; Tananaev, Nikita; Sauheitl, Leopold; Spielvogel, Sandra

    2017-04-01

    Spectroscopic measurements, which are non-destructive, precise and rapid, can be used to predict soil properties and help estimate the spatial variability of soil properties at the pedon scale. These estimations are required for quantifying soil properties with higher precision, identifying the changes in soil properties and ecosystem response to climate change as well as increasing the estimation accuracy of soil-related models. Our objectives were to (i) predict soil properties for nested samples (n = 296) using the laboratory-based visible-near infrared (vis-NIR) spectra of air-dried (ICP-OES, Agilent Technologies, USA). We predicted the above-mentioned soil properties for all nested samples using partial least squares regression, which was performed using R program. We can conclude that vis-NIR spectroscopy can be used effectively in order to describe, estimate and further map the spatial patterns of soil properties using geostatistical methods. This research could also help to improve the global soil spectral library taking into account that only few previous applications of vis-NIR spectroscopy were conducted on permafrost-affected soils of Northern Siberia. Keywords: Visible-near infrared spectroscopy, vis-NIR, permafrost-affected soils, Siberia, partial least squares regression.

  17. Fourier transform infrared spectroscopy: a potential technique for noninvasive detection of spermatogenesis.

    Science.gov (United States)

    Gilany, Kambiz; Pouracil, Roudabeh Sadat Moazeni; Sadeghi, Mohammad Reza

    2014-01-01

    The seminal plasma is an excellent source for noninvasive detection of spermatogenesis. The seminal plasma of normospermic and azoospermic men has been analyzed for detection of spermatogenesis. Optical spectroscopy (Attenuated Total Reflectance-Infrared spectroscopy (ATR-IR) and Fourier Transform infrared spectroscopy (FT-IR) has been used to analyze the seminal plasma and the metabolome of seminal plasma for detection of spermatogenesis. The seminal plasma of normospermic and azoospermic men has been analyzed by ATR-IR. The results show that there is a pattern variation in the azoospermic men compared to normospermic men. However, the seminal plasma is too complex to show significant pattern variation. Therefore, the metabolome which is a subcomponent of the seminal plasma was analyzed. The seminal plasma metabolome of normospermic and azoospermic men has been analyzed by FT-IR. A significant pattern change was observed. The data combined with chemometrics analysis showed that significant changes are observed at metabolome level. We suggest that FT-IR has the potential as a diagnostic tool instead of testicular biopsy.

  18. Infrared-x-ray pump-probe spectroscopy of the NO molecule

    International Nuclear Information System (INIS)

    Guimaraes, F.F.; Felicissimo, V.C.; Kimberg, V.; Gel'mukhanov, F.; Aagren, H.; Cesar, A.

    2005-01-01

    Two color infrared-x-ray pump-probe spectroscopy of the NO molecule is studied theoretically and numerically in order to obtain a deeper insight of the underlying physics and of the potential of this suggested technology. From the theoretical investigation a number of conclusions could be drawn: It is found that the phase of the infrared field strongly influences the trajectory of the nuclear wave packet, and hence, the x-ray spectrum. The trajectory experiences fast oscillations with the vibrational frequency with a modulation due to the anharmonicity of the potential. The dependences of the x-ray spectra on the delay time, the duration, and the shape of the pulses are studied in detail. It is shown that the x-ray spectrum keep memory about the infrared phase after the pump field left the system. This memory effect is sensitive to the time of switching-off the pump field and the Rabi frequency. The phase effect takes maximum value when the duration of the x-ray pulse is one-fourth of the infrared field period, and can be enhanced by a proper control of the duration and intensity of the pump pulse. The manifestation of the phase is different for oriented and disordered molecules and depends strongly on the intensity of the pump radiation

  19. State-of-art application of near infrared spectroscopy for functional diagnostics in neonatology

    International Nuclear Information System (INIS)

    Wolf, M.; Paiziev, A.

    2013-01-01

    The present brief review is devoted to application of near infra-red spectroscopy (NIRS) for early diagnostics of human brain injury. The number of commercially accessible NIRS instruments, and accordingly their users, increases but the precision of measurements and their reproducibility from the clinical point of view essentially depend on used algorithms, a kind of the NIRS-instrument, sensors, which frequently leads to the different values of the measurable parameters of blood oxygen saturation (StO 2 ). We present some commercially accessible NIRS instruments for control of an oxygen saturation degree in human blood, first of all in neonatology, on the basis of absorption and scattering of near infra-red light at human tissue chromophores. The results of clinical investigations of different NIRS-spectrometers for measurements of in-vivo new-born child' blood saturation are presented as well. (authors)

  20. Infrared Spectroscopy of Naphthalene Aggregation and Cluster Formation in Argon Matrices

    Science.gov (United States)

    Roser, J. E.; Allamondola, L. J.

    2011-01-01

    Fourier-transform mid-infrared absorption spectra of mixed argon/naphthalene matrices at 5 K are shown with ratios of argon-to-naphthalene that vary from 1000 to 0. These spectra show the changes as naphthalene clustering and aggregation occurs, with moderate spectral shifts affecting the C-H vibrational modes and relatively small or no shifts to the C-C and C-C-C vibrational modes. The possible contribution of homogeneous naphthalene clusters to the interstellar unidentified infrared bands is discussed. The contribution of polycyclic aromatic hydrocarbon (PAH) clusters to the 7.7 micron emission plateau and the blue shading of the 12.7 micron emission band are identified as promising candidates for future research. In addition, since PAH clusters are model components of Jupiter and Titan's atmospheres, the information presented here may also be applicable to the spectroscopy of these objects.

  1. Remote characterization of mixed waste by infrared spectroscopy: Fiscal year 1995 report

    International Nuclear Information System (INIS)

    Rebagay, T.V.; Reich, F.R.; Dodd, D.A.; Lopez, T.; Watts, J.K.; Cash, R.J.

    1995-09-01

    This report summarizes development work completed in FY 1995 on near-infrared (NIR) and Fourier Transform Infrared (FTIR) spectroscopy of determining the moisture content and solid species present in Hanford Site high-level waste. In prior fiscal years, the main emphasis was on identification of cyanide species that might be present in the ferrocyanide waste tanks, but the present thrust has been more focused on determining the moisture content of the waste. If sufficient moisture is present in the waste, propagating reactions in reactive waste are precluded, regardless of its fuel content. A prototype hot cell NIR moisture probe is now ready for hot cell deployment to sense moisture contents and homogeneity in tank waste samples

  2. Attenuated total reflectance Fourier transform infrared spectroscopy analysis of red seal inks on questioned document.

    Science.gov (United States)

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

    2014-07-01

    Seals are traditionally used in the Far East Asia to stamp an impression on a document in place of a signature. In this study, an accuser claimed that a personal contract regarding mining development rights acquired by a defendant was devolved to the accuser because the defendant stamped the devolvement contract in the presence of the accuser and a witness. The accuser further stated that the seal ink stamped on the devolvement contract was the same as that stamped on the development rights application document. To verify this, the seals used in two documents were analyzed using micro-attenuated total reflectance Fourier transform infrared spectroscopy and infrared spectra. The findings revealed that the seals originated from different manufacturers. Thus, the accuser's claim on the existence of a devolvement contract was proved to be false. © 2014 American Academy of Forensic Sciences.

  3. [Applications of near infrared reflectance spectroscopy technique (NIRS) to soil attributes research].

    Science.gov (United States)

    Liu, Yan-De; Xiong, Song-Sheng; Liu, De-Li

    2014-10-01

    Soil is a much complicated substance, because animals, plants and microbes live together, organic and inorganic exist together. So soil contains a large amount of information. The traditional method in laboratory is a time-consuming effort. But the technology of near infrared reflectance spectroscopy (NIRS) has been widely used in many areas, owing to its rapidness, high efficiency, no pollution and low cost, NIRS has become the most important method to detect the composition of soil. This paper mainly introduce some traditional methods in laboratory, the basic processes of soil detection by NIRS, some algorithms for data preprocessing and modeling. Besides, the present paper illustrates the latest research progress and the development of portable near infrared instruments of the soil. According to this paper, the authors also hope to promote the application conditions of NIRS in the grassland ecology research in China, and accelerate the modernization of research measures in this area.

  4. Infrared spectroscopy of the Ar-C2HD complex: Potential energy surfaces

    International Nuclear Information System (INIS)

    Bemish, R.J.; Miller, R.E.

    1996-01-01

    The argon-acetylene complex has been studied by a number of experimental and theoretical groups, with the aim in mind of determining an accurate potential energy surface for this system. Both microwave and infrared spectroscopy have provided detailed rotational and vibrational constants for this system. In addition, scattering experiments have been reported and ab initio calculation performed. Even with all of this, there are still some fundamental questions that remain unanswered with regards to the shape of the potential surface. The authors will review some of this work to outline the current situation. In the present study, the authors have obtained high resolution infrared spectra of the Ar-C 2 HD complex with the aim of providing additional molecular constants that could be used to help constrain the potential. Collocation calculations are reported, using a number of potential surfaces, for this and the normal isotopomer. This additional data helps to answer some of these open questions

  5. Nanoscale domains in thin-film pentacene seen by mid-infrared near-field spectroscopy

    Science.gov (United States)

    Keilmann, Fritz; Nickel, Bert; Westermeier, Christian; Liewald, Clemens; Amarie, Sergiu; Cernescu, Adrian

    2015-03-01

    The coexistence of structural phases in thin-film pentacene was known from X-ray diffraction, yet the scale of domain sizes remained unknown due to large-scale averaging. Infrared spectroscopy (classical FTIR) can distinguish different structural phases by slightly shifted molecular vibrational resonances but with spatial resolution not better than about 10 micrometer. When FTIR is paired with near-field microscopy performed by back-scattering infrared radiation from an AFM tip (``nano-FTIR'' allowing 20 nm resolution), Bulk-Phase (BP) domains were readily observed to form cost of the surrounding Thin-Film-Phase (TFP) pentacene. Both the domain interfaces and their continuing dimensional evolution may point to hidden problems for solar conversion systems development, possibly also with molecular materials beyond pentacene.

  6. Far-infrared vibrational modes of DNA components studied by terahertz time-domain spectroscopy

    International Nuclear Information System (INIS)

    Fischer, B M; Walther, M; Jepsen, P Uhd

    2002-01-01

    The far-infrared dielectric function of a wide range of organic molecules is dominated by vibrations involving a substantial fraction of the atoms forming the molecule and motion associated with intermolecular hydrogen bond vibrations. Due to their collective nature such modes are highly sensitive to the intra- and intermolecular structure and thus provide a unique fingerprint of the conformational state of the molecule and effects of its environment. We demonstrate the use of terahertz time-domain spectroscopy (THz-TDS) for recording the far-infrared (0.5-4.0 THz) dielectric function of the four nucleobases and corresponding nucleosides forming the building blocks of deoxyribose nucleic acid (DNA). We observe numerous distinct spectral features with large differences between the molecules in both frequency-dependent absorption coefficient and index of refraction. Assisted by results from density-functional calculations we interpret the origin of the observed resonances as vibrations of hydrogen bonds between the molecules

  7. In situ probing of surface hydrides on hydrogenated amorphous silicon using attenuated total reflection infrared spectroscopy

    CERN Document Server

    Kessels, W M M; Sanden, M C M; Aydil, E S

    2002-01-01

    An in situ method based on attenuated total reflection Fourier transform infrared spectroscopy (ATR-FTIR) is presented for detecting surface silicon hydrides on plasma deposited hydrogenated amorphous silicon (a-Si:H) films and for determining their surface concentrations. Surface silicon hydrides are desorbed by exposing the a-Si:H films to low energy ions from a low density Ar plasma and by comparing the infrared spectrum before and after this low energy ion bombardment, the absorptions by surface hydrides can sensitively be separated from absorptions by bulk hydrides incorporated into the film. An experimental comparison with other methods that utilize isotope exchange of the surface hydrogen with deuterium showed good agreement and the advantages and disadvantages of the different methods are discussed. Furthermore, the determination of the composition of the surface hydrogen bondings on the basis of the literature data on hydrogenated crystalline silicon surfaces is presented, and quantification of the h...

  8. The infrared spectroscopy in the study of the bone crystallinity thermally affected

    International Nuclear Information System (INIS)

    Medina, C.; Tiesler, V.; Azamar, J.A.; Alvarado G, J.J.; Quintana, P.

    2006-01-01

    Bone is made up by both organic and inorganic components. Among the latter stands out hydroxyapatite (HAP), composed by hexagonal crystallites arranged in a laminar form. The size of the hydroxyapatite crystals may be altered by different conditions, among those figures thermal exhibition, since during burning the bone eliminates organic matrix and thus promotes the crystallization process of the material. An experimental series was designed to measure crystallinity, in which pig bone remains were burnt at different temperatures and analyzed by infrared spectroscopy (FTIR). By means of analogy a comparison was made between the infrared spectra in order to compare with the ones obtained from the archaeological samples, coming from the Classic period Maya sites of Calakmul and Becan, Campeche. (Author)

  9. Attenuated total reflection infrared difference spectroscopy (ATR-IRDS) for quantitative reaction monitoring.

    Science.gov (United States)

    Kiefer, Johannes; Cöngevel, Melek A; Roth, Daniel; Obert, Katharina; Wasserscheid, Peter; Leipertz, Alfred

    2012-06-01

    Monitoring of chemical reactors is key to optimizing yield and efficiency of chemical transformation processes. Aside from tracking pressure and temperature, the measurement of the chemical composition is essential in this context. We present an infrared difference spectroscopy approach for determining the reactant (cyclooctene) and product (cyclooctane) concentrations during a catalytic hydrogenation reaction in the solvent cyclohexane, which is present in large excess. Subtracting the spectrum of the pure solvent from the reactor mixture spectra yields infrared (IR) spectra, which can ultimately be evaluated using a curve-fitting procedure based on spectral soft modeling. An important feature of our evaluation approach is that the calibration only requires recording the pure component spectra of the reactants, products, and solvent. Hence, no time-consuming preparation of mixtures for calibration is necessary. The IR concentration results are in good agreement with gas chromatography measurements.

  10. [Application of near infrared spectroscopy to identify authenticity of Polygonum multiflorum].

    Science.gov (United States)

    Han, Ying; Bi, Fu-jun; Hou, Hui-chan; Zhang, Yong-yao

    2014-11-01

    To establish a near-infrared qualitative analysis model to identify the authenticity of Polygonum multiflo- rum and distinguish processed products Polygoni Multiflori Radix. The NIR spectra were peformed on over 30 batches of P. multiflorum and Polygoni Multiflori Radix samples and the adulterants Cynanchum bungei, Pteroxygonum giraldii, Polygonum cillinerve to establish the qualitative discriminant model and the conformity test model of Polygonum multifiorum , and cluster analysis was used to analyze the samples from different origins. The model is able to identify correctly P. multiflorum with its counterfeit, and distinguish between P. multiflorum and Polygoni multiflori Radix. Near-infrared spectroscopy can be applied in the identification of P. multiflorum, which could be used to screen Chinese herbal medicine preliminarily.

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

    Science.gov (United States)

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

    2018-04-01

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

  12. The Application of Fourier Transform Infrared Photoacoustics Spectroscopy (FTIR-PAS for Rapid Soil Quality Evaluation

    Directory of Open Access Journals (Sweden)

    Ichwana Ichwana

    2017-04-01

    The Application of Fourier Transform Infrared Photoacoustics Spectroscopy (FTIR-PAS for Rapid Soil Quality Evaluation Abstract. The major function of soil is to provide fundamental natural resources for survival of plants, animals, and the human race. Soil functions depend on the balances of its structure and composition, well as the chemical, biological, and physical properties. It is become one important key aspect and routine activity in crop management system. To monitor and determine soil quality properties, several methods were already widely used in which most of them are based on solvent extraction followed by other laboratory procedures. However, these methods often require laborious and complicated processing for samples. They are time consuming and destructive. In last few decades, the application of infrared spectroscopy as non-destructive technique in determining soil quality properties (C, N, P and K rapidly and simultaneously. Fourier transform infrared spectrum (FTIR were acquired in wavelength range from 1000 to 2500 nm with applying photo-acoustic spectroscopy (PAS. Least square-support vector machine regression (LS-SVM approach was then applied to predict soil quality properties. The results showed that C and N can be predicted accurately using FTIR-PAS whilst other parameters (P, K, Mg, Ca, S can be predicted with maximum RPD index is 1.9. Moreover, soil clay, moisture and soil microbes were feasible to be detected by using FTIR-PAS combining with discriminant analysis (LS-DA or cluster analysis (CA. It may conclude that FTIR-PAS technology can be used as a real time method  in monitoring soil quality and fertility properties.

  13. Ischemia monitoring in off-pump coronary artery bypass surgery using intravascular near-infrared spectroscopy

    Directory of Open Access Journals (Sweden)

    Zerkowski Hans-Reinhard

    2006-05-01

    Full Text Available Abstract Background In off-pump coronary artery bypass surgery, manipulations on the beating heart can lead to transient interruptions of myocardial oxygen supply, which can generate an accumulation of oxygen-dependent metabolites in coronary venous blood. The objective of this study was to evaluate the reliability of intravascular near-infrared spectroscopy as a monitoring method to detect possible ischemic events in off-pump coronary artery bypass procedures. Methods In 15 elective patients undergoing off-pump myocardial revascularization, intravascular near-infrared spectroscopic analysis of coronary venous blood was performed. NIR signals were transferred through a fiberoptic catheter for signal emission and collection. For data analysis and processing, a miniature spectrophotometer with multivariate statistical package was used. Signal acquisition and analysis were performed before and after revascularization. Spectroscopic data were compared with hemodynamic parameters, electrocardiogram, transesophageal echocardiography and laboratory findings. Results A conversion to extracorporeal circulation was not necessary. The mean number of grafts per patient was 3.1 ± 0.6. An intraoperative myocardial ischemia was not evident, as indicated by electrocardiogram and transesophageal echocardiography. Continuous spectroscopic analysis showed reproducible absorption spectra of coronary sinus blood. Due to uneventful intraoperative courses, clear ischemia-related changes could be detected in none of the patients. Conclusion Our initial results show that intravascular near-infrared spectroscopy can reliably be used for an online intraoperative ischemia monitoring in off-pump coronary artery bypass surgery. However, the method has to be further evaluated and standardized to determine the role of spectroscopy in off-pump coronary artery bypass surgery.

  14. Determination of flow properties of pharmaceutical powders by near infrared spectroscopy.

    Science.gov (United States)

    Sarraguça, Mafalda C; Cruz, Ana V; Soares, Sandra O; Amaral, Helena R; Costa, Paulo C; Lopes, João A

    2010-08-01

    The physical properties of pharmaceutical powders are of upmost importance in the pharmaceutical industry. The knowledge of their flow properties is of critical significance in operations such as blending, tablet compression, capsule filling, transportation, and in scale-up operations. Powders flow properties are measured using a number of parameters such as, angle of repose, compressibility index (Carr's index) and Hausner ratio. To estimate these properties, specific and expensive equipment with time-consuming analysis is required. Near infrared spectroscopy is a fast and low-cost analytical technique thoroughly used in the pharmaceutical industry in the quantification and qualification of products. To establish the potential of this technique to determine the parameters associated with the flow properties of pharmaceutical powders, blended powders based on paracetamol as the active pharmaceutical ingredient were constructed in pilot scale. Spectra were recorded on a Fourier-transform near infrared spectrometer in reflectance mode. The parameters studied were the angle of repose, aerated and tapped bulk density. The correlation between the reference method values and the near infrared spectrum was performed by partial least squares and optimized in terms of latent variables using cross-validation. The near infrared based properties predictions were compared with the reference methods results. Prediction errors, which varied between 2.35% for the angle of repose, 2.51% for the tapped density and 3.18% for the aerated density, show the potential of NIR spectroscopy in the determination of physical properties affecting the flowability of pharmaceutical powders. Copyright (c) 2010 Elsevier B.V. All rights reserved.

  15. Deposition of nanocrystalline diamond films on temperature sensitive substrates for infrared reflectance spectroscopy

    Czech Academy of Sciences Publication Activity Database

    Babchenko, Oleg; Remeš, Zdeněk; Ižák, Tibor; Rezek, Bohuslav; Kromka, Alexander

    2011-01-01

    Roč. 248, č. 11 (2011), s. 2736-2739 ISSN 0370-1972 R&D Projects: GA ČR(CZ) GAP108/11/0794; GA AV ČR KAN400100701; GA MŠk LC510; GA AV ČR(CZ) IAAX00100902; GA AV ČR(CZ) KAN400480701 Institutional research plan: CEZ:AV0Z10100521 Keywords : focused plasma * glass substrate * infrared spectroscopy * nanocrystalline diamond * surface wave plasma Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 1.316, year: 2011

  16. Low frequency oscillations in cephalic vessels assessed by near infrared spectroscopy

    DEFF Research Database (Denmark)

    Phillip, Dorte; Schytz, Henrik W; Selb, Juliette

    2012-01-01

    BACKGROUND AND METHODS: Low frequency oscillations (LFO) of cerebral vessels are believed to reflect cerebral autoregulation. We investigated day-to-day and hemispheric variations in 0.1 Hz LFO with near infrared spectroscopy (NIRS) and transcranial Doppler (TCD) to determine phase shift and gain...... breathing at 6 breaths per minute on two separate days. RESULTS: The variation between hemispheres had a prediction interval (PI) of ± 39° for ABP-oxyHb phase shift and ± 69% for gain. ABP-Vmca showed ± 57° PI phase shift and ± 158% PI for gain. The variation from day to day showed ± 61° PI for ABP...

  17. A review of near infrared spectroscopy and chemometrics in pharmaceutical technologies.

    Science.gov (United States)

    Roggo, Yves; Chalus, Pascal; Maurer, Lene; Lema-Martinez, Carmen; Edmond, Aurélie; Jent, Nadine

    2007-07-27

    Near-infrared spectroscopy (NIRS) is a fast and non-destructive analytical method. Associated with chemometrics, it becomes a powerful tool for the pharmaceutical industry. Indeed, NIRS is suitable for analysis of solid, liquid and biotechnological pharmaceutical forms. Moreover, NIRS can be implemented during pharmaceutical development, in production for process monitoring or in quality control laboratories. This review focuses on chemometric techniques and pharmaceutical NIRS applications. The following topics are covered: qualitative analyses, quantitative methods and on-line applications. Theoretical and practical aspects are described with pharmaceutical examples of NIRS applications.

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

    Science.gov (United States)

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

    2010-02-01

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

  19. The Bone Black Pigment Identification by Noninvasive, In Situ Infrared Reflection Spectroscopy

    Directory of Open Access Journals (Sweden)

    Alessia Daveri

    2018-01-01

    Full Text Available Two real case studies, an oil painting on woven paper and a cycle of mural paintings, have been presented to validate the use of infrared reflection spectroscopy as suitable technique for the identification of bone black pigment. By the use of the sharp weak band at 2013 cm−1, it has been possible to distinguish animal carbon-based blacks by a noninvasive method. Finally, an attempt for an eventual assignment for the widely used sharp band at 2013 cm−1 is discussed.

  20. Nanoantennas for surface enhanced infrared spectroscopy: Effects of interaction and higher order resonant excitations

    Directory of Open Access Journals (Sweden)

    J. Aizpurua

    2011-09-01

    Full Text Available The sensitivity in surface enhanced infrared spectroscopy (SEIRS strongly depends on where the resonant excitation is spectrally located compared to the molecular vibration that is to be enhanced. In this contribution, we study the effect of coupling in the electromagnetic properties of 2D gold nanorod arrays in the IR. We also study the SEIRS activity of higher order resonant excitations in long nanoantennas to identify polaritonic signals of a supporting SiO2 layer with nanometer thickness (3 nm on a silicon substrate.

  1. Structure of cesium loaded iron phosphate glasses: An infrared and Raman spectroscopy study

    International Nuclear Information System (INIS)

    Joseph, Kitheri; Premila, M.; Amarendra, G.; Govindan Kutty, K.V.; Sundar, C.S.; Vasudeva Rao, P.R.

    2012-01-01

    The structure of cesium loaded iron phosphate glasses (IPG) was investigated using infrared and Raman spectroscopy. The spectra of the cesium doped samples revealed a structural modification of the parent glass owing to the incorporation of cesium. The structural changes could be correlated with the variation observed in the glass transition temperature of these glasses. Increased Cs-mediated cationic cross linking appears to be the reason for the initial rise in glass transition temperature up to 21 mol% Cs 2 O in IPG; while, breakdown of the phosphate network with increasing cesium content, brings down the glass transition temperature.

  2. Rapid biochemical methane potential prediction of urban organic waste with near-infrared reflectance spectroscopy

    DEFF Research Database (Denmark)

    Fitamo, Temesgen Mathewos; Triolo, Jin Mi; Boldrin, Alessio

    2017-01-01

    The anaerobic digestibility of various biomass feedstocks in biogas plants is determined with biochemical methane potential (BMP) assays. However, experimental BMP analysis is time-consuming, costly and challenging to optimise stock management and feeding to achieve improved biogas production....... The aim of the present study is to develop a fast and reliable model based on near-infrared reflectance spectroscopy (NIRS) for the BMP prediction of urban organic waste (UOW). The model comprised 87 UOW samples. Additionally, 88 plant biomass samples were included, to develop a combined model predicting...

  3. Determining the clay/organic carbon ratio by visible near infrared spectroscopy

    DEFF Research Database (Denmark)

    Knadel, Maria; Peng, Yi; Hermansen, Cecilie

    /OC ratio directly would be valuable. Visible near infrared spectroscopy (vis-NIRS) is a cost-effective method for soil analysis and was tested here for the prediction of clay/OC ratio. Soil samples from two agricultural fields in Denmark (N=115) were analyzed. Partial Least Squares regression (full cross......-validation) was performed on 80% randomly selected samples to correlate soil spectra with OC, clay and clay/OC. The robustness of calibration models was tested on the remaining 20% of the samples. The soil from the two study sites vary greatly presenting clay/OC ratio between 1.20 and 10.43. Successful calibration results...

  4. Assessing soil carbon lability by near infrared spectroscopy and NaOCL oxidation

    DEFF Research Database (Denmark)

    Thomsen, Ingrid Kaag; Bruun, Sander; Jensen, Lars Stoumann

    2009-01-01

    The feasibility of near infrared (NIR) spectroscopy for quantifying labile organic matter (OM) in arable soils and for predicting soil refractory OM fractions was tested on 37 soils varying in texture and soil carbon (C) content. Three sets of arable soils (0-20 cm depth) were sampled from 1) long...... incubated for 34 weeks while refractory OM was obtained by NaOCl oxidation. The labile fraction of the soil C accounted for 2-12% of the total soil C content. No systematic relationship between labile C content and total soil C or clay was found, but NIR spectra could be correlated well with the labile C...

  5. Determination of diazepam in intact diazepam tablets using near infrared spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Choi, H.C.; Kang, S.J.; Youn, M.O.; Lee, S.J.; Kim, H.J.; Kim, J.Y. [Korea Food and Drug Administration, Seoul (Korea); Cha, K.W. [Inha University, Inchon (Korea)

    2002-06-01

    A rapid and simple determination of diazepam in intact diazepam tablets has been investigated using the near infrared spectroscopy(NIRS) combined with partial least squares regression. The separate calibration curves of 2 mg and 5 mg diazepam tablets were studied, as well as the linearity, concentration range and reproducibility of those calibration curves were evaluated. The correlation coefficients of calibration curves of 2 mg and 5 mg diazepam tablets are 0.99416 and 0.9159, respectively and the standard errors of calibration curves(SEC) are 0.018% and 0.032%, respectively. (author). 13 refs., 4 tabs., 4 figs.

  6. Determination of fatty acid content in sheep milk by means of near infrared spectroscopy

    Directory of Open Access Journals (Sweden)

    Táňa Lužová

    2014-01-01

    Full Text Available The study focused on the use of the Fourier transform near infrared spectroscopy in determining the content of selected fatty acids in raw non-homogenized sheep milk. The raw sheep milk sample spectra were scanned in reflectance mode using the FT NIR Antaris spectrophotometer. The reliable functional calibration models were created for estimation of the contents of myristic, oleic, lauric, palmitic, and stearic acids (with calibration correlation coefficients of R = 0.999; 0.999; 0.993; 0.992; 0.858 and with standard errors SEC = 0.056; 0.152; 0.066; 0.367; 1.36%.

  7. Perioperative use of cerebral and renal near-infrared spectroscopy in neonates

    DEFF Research Database (Denmark)

    Koch, Henrik W; Hansen, Tom G

    2016-01-01

    of NIRS in neonates and premature infants undergoing noncardiac surgeries. METHOD: Neonates were monitored with both cerebral and renal NIRS for 24 h after induction of anesthesia and compared with systemic blood pressure (BP), peripheral oxygen saturation (SpO2 ), and heart rate (HR). RESULTS: A total...... at detecting postoperative apnea. CONCLUSION: Near-infrared spectroscopy is an easily applicable technique that appears effective at detecting hypoxic events and postoperative apneas in neonates. The high incidences of regional hypoxia reported by NIRS in this study imply that there is a need for a more...

  8. Application of infrared spectroscopy and chemometric methods to identification of selected minerals

    Czech Academy of Sciences Publication Activity Database

    Ritz, M.; Vaculíková, Lenka; Plevová, Eva

    2011-01-01

    Roč. 8, č. 1 (2011), s. 47-58 ISSN 1214-9705 R&D Projects: GA ČR GA105/08/1398; GA ČR GP105/07/P416 Grant - others:GA ČR(CZ) GP105/09/P397; GA MŠk(CZ) ED2.1.00/01.0040 Institutional research plan: CEZ:AV0Z30860518 Keywords : minerals * infrared spectroscopy * chemometric methods Subject RIV: DB - Geology ; Mineralogy Impact factor: 0.530, year: 2011 http://www.irsm.cas.cz/abstracts/AGG/01_11/5_Vaculikova.pdf

  9. Is near-infrared spectroscopy clinically useful in the preterm infant?

    DEFF Research Database (Denmark)

    da Costa, Cristine Sortica; Greisen, Gorm; Austin, Topun

    2015-01-01

    Near-infrared spectroscopy (NIRS) has been used to study cerebral haemodynamics and oxygenation in the preterm infant for many years, but its use as a clinical tool has remained elusive. This has partly been due to the challenges of providing a continuous quantitative measurement that is valid...... and reliable, as well as demonstrating that interventions based on NIRS measurements improve clinical outcome. Recent studies investigating cerebral oxygenation targeted treatment, and defining optimal blood pressure based on an assessment of cerebrovascular reactivity, suggest ways in which this technology...

  10. Assessing soil water repellency of a sandy field with visible near infrared spectroscopy

    DEFF Research Database (Denmark)

    Knadel, Maria; Masís Meléndez, Federico; de Jonge, Lis Wollesen

    2016-01-01

    to its effects on germination, root growth, liquid-vapour dynamics, surface erosion and leaching of chemicals through fingered flow paths. However, common techniques for measuring WR are time-consuming and expensive. Meanwhile, it is well established that visible near infrared (vis-NIR) spectroscopy......, and to evaluate the effect of soil pretreatment on the predictive ability of WR models. A total of 87 soil samples from an agricultural coarse sandy field in Denmark were analysed for SOC, particle size fractions, water content and WR. Soil samples were scanned with a vis-NIR sensor (350-2500 nm) after air...

  11. Determination of Moisture Content in 5-Fluorouracil using Diffuse Reflectance Infrared Spectroscopy

    Science.gov (United States)

    Singh, Parul; Jangir, Deepak Kumar; Mehrotra, Ranjana; Kandpal, H. C.

    2008-11-01

    Determination of moisture content in pharmaceuticals is very important, as moisture is mainly responsible for the degradation of drugs. The degraded drug has not only reduced efficacy but is also hazardous for health. The objective of the present work is to replace the Karl Fischer (KF) titration method used for moisture analysis with a method that is rapid, involves no toxic materials and is more effective. Diffuse reflectance infrared spectroscopy, which is explored as a potential alternate for various applications, is investigated for moisture analysis in 5-Fluorouracil, an anticancer drug.

  12. [Near-infrared spectroscopy (NIRS), new intracoronary imaging technique of unstable coronary plaque].

    Science.gov (United States)

    Ondrúš, Tomáš; Kaňovský, Jan; Poloczek, Martin; Miklík, Roman; Boček, Otakar; Jeřábek, Petr; Kala, Petr

    2014-01-01

    Acute coronary syndrome may develop in the background of hemodynamically non-significant coronary artery disease. It may be caused by the presence of "vulnerable plaque", which is characterized by the lipid rich core and thin fibrous cap content. NIRS - near infrared spectroscopy - is a morphological imaging method allowing determining atherosclerotic plaque cholesterol burden. Information about the chemical composition may contribute to "high risk" plaque early identification and subsequent optimal interventional strategy. The first experience with the clinical implementation of this novel method is demonstrated in a case report. Key words: acute coronary syndrome - chemogram - intravascular imaging - NIRS - vulnerable plaque.

  13. Regional blood flow during exercise in humans measured by near-infrared spectroscopy and indocyanine green

    DEFF Research Database (Denmark)

    Boushel, R; Langberg, Henning; Olesen, J

    2000-01-01

    Using near-infrared spectroscopy (NIRS) and the tracer indocyanine green (ICG), we quantified blood flow in calf muscle and around the Achilles tendon during plantar flexion (1-9 W). For comparison, blood flow in calf muscle was determined by dye dilution in combination with magnetic resonance...... NIRS and ICG to quantify regional tissue blood flow during exercise in humans. Due to its high spatial and temporal resolution, the technique may be useful for determining regional blood flow distribution and regulation during exercise in humans....

  14. Cerebral hemodynamics measured with simultaneous PET and near-infrared spectroscopy in humans

    DEFF Research Database (Denmark)

    Rostrup, Egill; Law, Ian; Pott, Frank

    2002-01-01

    Near-infrared spectroscopy (NIRS) enables continuous non-invasive quantification of blood and tissue oxygenation, and may be useful for quantification of cerebral blood volume (CBV) changes. In this study, changes in cerebral oxy- and deoxyhemoglobin were compared to corresponding changes in CBF......, increased by 37% during 6% CO(2) and decreased by 25% during hyperventilation. NIRS showed significant increases in oxygenation during hypercapnia, and a trend towards decreases during hyperventilation. Changes in CBV measured with both techniques were significantly correlated to CO(2) levels. However...

  15. Monitoring tissue oxygen availability with near infrared spectroscopy (NIRS) in health and disease

    DEFF Research Database (Denmark)

    Boushel, Robert Christopher; Langberg, H; Olesen, J

    2001-01-01

    Near infrared spectroscopy (NIRS) is becoming a widely used research instrument to measure tissue oxygen (O2) status non-invasively. Continuous-wave spectrometers are the most commonly used devices, which provide semi-quantitative changes in oxygenated and deoxygenated hemoglobin in small blood......, brain and connective tissue, and more recently it has been used in the clinical setting to assess circulatory and metabolic abnormalities. Quantitative measures of blood flow are also possible using NIRS and a light-absorbing tracer, which can be applied to evaluate circulatory responses to exercise...

  16. Quantifying the cerebral metabolic rate of oxygen by combining diffuse correlation spectroscopy and time-resolved near-infrared spectroscopy.

    Science.gov (United States)

    Verdecchia, Kyle; Diop, Mamadou; Lee, Ting-Yim; St Lawrence, Keith

    2013-02-01

    Preterm infants are highly susceptible to ischemic brain injury; consequently, continuous bedside monitoring to detect ischemia before irreversible damage occurs would improve patient outcome. In addition to monitoring cerebral blood flow (CBF), assessing the cerebral metabolic rate of oxygen (CMRO2) would be beneficial considering that metabolic thresholds can be used to evaluate tissue viability. The purpose of this study was to demonstrate that changes in absolute CMRO2 could be measured by combining diffuse correlation spectroscopy (DCS) with time-resolved near-infrared spectroscopy (TR-NIRS). Absolute CBF was determined using bolus-tracking TR-NIRS to calibrate the DCS measurements. Cerebral venous blood oxygenation (SvO2) was determined by multiwavelength TR-NIRS measurements, the accuracy of which was assessed by directly measuring the oxygenation of sagittal sinus blood. In eight newborn piglets, CMRO2 was manipulated by varying the anesthetics and by injecting sodium cyanide. No significant differences were found between the two sets of SvO2 measurements obtained by TR-NIRS or sagittal sinus blood samples and the corresponding CMRO2 measurements. Bland-Altman analysis showed a mean CMRO2 difference of 0.0268 ± 0.8340 mLO2/100 g/min between the two techniques over a range from 0.3 to 4 mL O2/100 g/min.

  17. Sensitivity of near-infrared spectroscopy and diffuse correlation spectroscopy to brain hemodynamics: simulations and experimental findings during hypercapnia.

    Science.gov (United States)

    Selb, Juliette; Boas, David A; Chan, Suk-Tak; Evans, Karleyton C; Buckley, Erin M; Carp, Stefan A

    2014-07-01

    Near-infrared spectroscopy (NIRS) and diffuse correlation spectroscopy (DCS) are two diffuse optical technologies for brain imaging that are sensitive to changes in hemoglobin concentrations and blood flow, respectively. Measurements for both modalities are acquired on the scalp, and therefore hemodynamic processes in the extracerebral vasculature confound the interpretation of cortical hemodynamic signals. The sensitivity of NIRS to the brain versus the extracerebral tissue and the contrast-to-noise ratio (CNR) of NIRS to cerebral hemodynamic responses have been well characterized, but the same has not been evaluated for DCS. This is important to assess in order to understand their relative capabilities in measuring cerebral physiological changes. We present Monte Carlo simulations on a head model that demonstrate that the relative brain-to-scalp sensitivity is about three times higher for DCS (0.3 at 3 cm) than for NIRS (0.1 at 3 cm). However, because DCS has higher levels of noise due to photon-counting detection, the CNR is similar for both modalities in response to a physiologically realistic simulation of brain activation. Even so, we also observed higher CNR of the hemodynamic response during graded hypercapnia in adult subjects with DCS than with NIRS.

  18. Study of atmospheric air AC glow discharge using optical emission spectroscopy and near infrared diode laser cavity ringdown spectroscopy

    Science.gov (United States)

    Srivastava, Nimisha; Wang, Chuji; Dibble, Theodore S.

    2008-11-01

    AC glow discharges were generated in atmospheric pressure by applying high voltage AC in the range of 3500-15000 V to a pair of stainless steel electrodes separated by an air gap. The discharges were characterized by optical emission spectroscopy (OES) and continuous wave cavity ringdown spectroscopy (cw-CRDS). The electronic (Tex), vibrational (Tv), and rotational (Tr) temperatures were measured. Spectral stimulations of the emission spectra of several vibronic bands of the 2^nd positive system of N2, the 1^st negative system of N2^+, the (0,1,2,3-0) bands of NO (A-X), and the (0-0) band of OH (A-X), which were obtained under various plasma operating conditions, show that Tr, Tv, and Tex are in the ranges of 2000 - 3800, 3500 - 5000, and 6000 - 10500^ K, respectively. Emission spectra show that OH concentration increases while NO concentration decreases with an increase of electrode spacing. The absorption spectra of H2O and OH overtone in the near infrared (NIR) were measured by the cw-CRDS with a telecommunications diode laser at wavelength near 1515 nm.

  19. Quantifying the cerebral metabolic rate of oxygen by combining diffuse correlation spectroscopy and time-resolved near-infrared spectroscopy

    Science.gov (United States)

    Verdecchia, Kyle; Diop, Mamadou; Lee, Ting-Yim; St. Lawrence, Keith

    2013-02-01

    Preterm infants are highly susceptible to ischemic brain injury; consequently, continuous bedside monitoring to detect ischemia before irreversible damage occurs would improve patient outcome. In addition to monitoring cerebral blood flow (CBF), assessing the cerebral metabolic rate of oxygen (CMRO2) would be beneficial considering that metabolic thresholds can be used to evaluate tissue viability. The purpose of this study was to demonstrate that changes in absolute CMRO2 could be measured by combining diffuse correlation spectroscopy (DCS) with time-resolved near-infrared spectroscopy (TR-NIRS). Absolute CBF was determined using bolus-tracking TR-NIRS to calibrate the DCS measurements. Cerebral venous blood oxygenation (SvO2) was determined by multiwavelength TR-NIRS measurements, the accuracy of which was assessed by directly measuring the oxygenation of sagittal sinus blood. In eight newborn piglets, CMRO2 was manipulated by varying the anesthetics and by injecting sodium cyanide. No significant differences were found between the two sets of SvO2 measurements obtained by TR-NIRS or sagittal sinus blood samples and the corresponding CMRO2 measurements. Bland-Altman analysis showed a mean CMRO2 difference of 0.0268±0.8340 mL O2/100 g/min between the two techniques over a range from 0.3 to 4 mL O2/100 g/min.

  20. [Two-Dimensional Hetero-Spectral Near-Infrared and Mid-Infrared Correlation Spectroscopy for Discrimination Adulterated Milk].

    Science.gov (United States)

    Yu, Ge; Yang, Ren-jie; Lü, Ai-jun; Tan, En-zhong

    2015-08-01

    New approach for discriminant analysis of adulterated milk is proposed based on combining hetero-spectral two-dimensional (2D) near-infrared (NIR) and mid-infrared (IR) correlation spectroscopy along with multi-way partial least squares discriminant analysis (NPLS-DA). Firstly, 36 pure milk samples were collected and 36 adulterated milk with starch samples (0.01 to 1 g · L(-1)) were prepared by adding appropriate mass of starch into pure milk. Then, one-dimensional NIR transmittance spectra and IR attenuated total reflection spectra of pure milk and adulterated milk with starch were measured at room temperature. And the synchronous 2D NIR-IR (4200~4800 vs. 900~1700 cm(-1)) correlation spectra of all samples were calculated. Due to the trace of adulterants, the synchronous 2D IR-NIR correlation spectral differences between adulterated milk with starch and pure milk are very subtle. Consequently, it was impossible to directly distinguish whether the sample was pure milk or adulterated milk. Finally, 2D IR-NIR correlation spectra were to build a discriminant model to classify adulterated milk and pure milk. The classification accuracy rates of samples in calibration set and in prediction set were 95.8% and 100% respectively. Also, the NPLS-DA models were built based on 2D NIR and 2D IR correlation spectra, respectively. The classification accuracy rates of samples in prediction set were 95.8%. Comparison results showed that the NPLS-DA model could provide better results using 2D NIR-IR correlation spectra than using 2D NIR, and 2D IR correlation spectra. The proposed method can not only effectively extract the feature information of adulterants in milk, but also explores a new perspective method for detection of adulterated food.

  1. Evaluation of ionizing radiation effects on recycled polyamide-6 by infrared spectroscopy and measures of fluidity index

    International Nuclear Information System (INIS)

    Evora, Maria Cecilia; Goncalez, Odair Lelis

    2000-01-01

    In this work are presented partial results from a set of experiments and analyses performed at CTA and IPEN laboratories for the characterization of the polyamide-6, recycled and irradiated with a 1.5 MeV electron beam with a 500 kGy dose. The experimental determinations were carried out using infrared spectroscopy with Fourier transform (FTIR), in the medium infrared region (MIR) and in the far infrared region (FAR), to evaluate if exist significant changes in the infrared absorption region of the amide groups due to the polyamide irradiation. Characteristics relative to the measured fluidity index were used to evaluate the irradiated material crosslinking. (author)

  2. Application of near-infrared spectroscopy for monitoring and control of cell culture and fermentation

    DEFF Research Database (Denmark)

    Cervera Padrell, Albert Emili; Petersen, Nanna; Eliasson Lantz, Anna

    2009-01-01

    Near-infrared (NIR) spectroscopy can potentially provide on-line information on substrate, biomass, product, and metabolite concentrations in fermentation processes, which could be useful for improved monitoring or control. However, several factors can negatively influence the quality...... of chemometric models built for interpretation of the spectra, thus impairing the analyte concentration predictions. The aim of this review was to provide an overview of necessary conditions and challenges that one has to face when developing a NIR application for monitoring of cell culture or fermentation...... fusion), and the description of process trajectories. On the basis of the review, we conclude that acceptance of NIR spectroscopy as a standard monitoring tool by the fermentation industry will necessitate considerably more on-line studies using industrially relevant—and highly challenging...

  3. Feasibility of near-infrared spectroscopy to detect and to quantify adulterants in cow milk.

    Science.gov (United States)

    Kasemsumran, Sumaporn; Thanapase, Warunee; Kiatsoonthon, Artaya

    2007-07-01

    Cow milk adulteration involves the dilution of milk with a less-expensive component, such as water or whey. Near-infrared spectroscopy (NIRS) was employed to detect the adulterations of milk, non-destructively. Two adulteration types of cow milk with water and whey were prepared, respectively. NIR spectra of milk adulterations and natural milk samples in the region of 1100 - 2500 nm were collected. The classification of milk adulterations and natural milk were conducted by using discriminant partial least squares (DPLS) and soft independent modelling of class analogy (SIMCA) methods. PLS calibration models for the determination of water and whey contents in milk adulteration were also developed, individually. Comparisons of the classification methods, wavelength regions and data pretreatments were investigated, and are reported in this study. This study showed that NIR spectroscopy can be used to detect water or whey adulterants and their contents in milk samples.

  4. Efficient Discrimination of Some Moss Species by Fourier Transform Infrared Spectroscopy and Chemometrics

    Directory of Open Access Journals (Sweden)

    Zhen Cao

    2014-01-01

    Full Text Available Fourier transform infrared spectroscopy (FTIR technique was used to classify 16 species from three moss families (Mielichhoferiaceae, Bryaceae, and Mniaceae. The FTIR spectra ranging from 4000 cm−1 to 400 cm−1 of the 16 species were obtained. To group the spectra according to their spectral similarity in a dendrogram, cluster analysis and principal component analysis (PCA were performed. Cluster analysis combined with PCA was used to give a rough result of classification among the moss samples. However, some species belonging to the same genus exhibited very similar chemical components and similar FTIR spectra. Fourier self-deconvolution (FSD was used to enhance the differences of the spectra. Discrete wavelet transform (DWT was used to decompose the FTIR spectra of Mnium laevinerve and M. spinosum. Three scales were selected as the feature extracting space in the DWT domain. Results showed that FTIR spectroscopy combined with DWT was suitable for distinguishing different species of the same genus.

  5. Determination of the protein content in brine from salted herring using near-infrared spectroscopy

    DEFF Research Database (Denmark)

    Svensson, V.T.; Nielsen, Henrik Hauch; Bro, Rasmus

    2004-01-01

    Near-infrared reflectance (NIR) spectroscopy in the spectral range of 1000-2500 nm, was measured directly on brine from barrel salted herring, to investigate the potential of NIR as a fast method to determine the protein content. A principal component analysis performed on the NIR spectra shows two...... groups, separating the first 100 days of storage from the storage time exceeding 100 days. A partial least-squares regression model between selected regions of the NIR spectra and the protein content yields a correlation coefficient of 0.93 and a prediction error (RMSECV) of 0.25 g/100 g. The results...... clearly indicate that NIR spectroscopy has a potential as a fast and noninvasive method for assessing the protein content in brine from barrel salted herring, which again may be used as an indicator for the ripening quality of barrel salted herring....

  6. Fast Measurement of Soluble Solid Content in Mango Based on Visible and Infrared Spectroscopy Technique

    Science.gov (United States)

    Yu, Jiajia; He, Yong

    Mango is a kind of popular tropical fruit, and the soluble solid content is an important in this study visible and short-wave near-infrared spectroscopy (VIS/SWNIR) technique was applied. For sake of investigating the feasibility of using VIS/SWNIR spectroscopy to measure the soluble solid content in mango, and validating the performance of selected sensitive bands, for the calibration set was formed by 135 mango samples, while the remaining 45 mango samples for the prediction set. The combination of partial least squares and backpropagation artificial neural networks (PLS-BP) was used to calculate the prediction model based on raw spectrum data. Based on PLS-BP, the determination coefficient for prediction (Rp) was 0.757 and root mean square and the process is simple and easy to operate. Compared with the Partial least squares (PLS) result, the performance of PLS-BP is better.

  7. Rapid characterization of woody biomass digestibility and chemical composition using near-infrared spectroscopy.

    Science.gov (United States)

    Hou, Shen; Li, Laigeng

    2011-02-01

    Rapid determination of the properties of lignocellulosic material is highly desirable for biomass production and utilization. In the present study, measurements of woody biomass digestibility and chemical composition using near-infrared reflectance (NIR) spectroscopy were calibrated. Poplar and eucalyptus materials were recorded in NIR spectrum as well as determined for their chemical compositions of Klason lignin, α-cellulose, holocellulose, lignin syringyl/guaiacyl (S/G) ratio and enzymatic digestibility. Fitting of the NIR information with chemical properties and digestibility by partial least-squares (PLS) regression generated a group of trained NIR models that were able to be used for rapid biomass measurement. Applying the models for woody biomass measurements led to a reliable evaluation of the chemical composition and digestibility, suggesting the feasibility of using NIR spectroscopy in the rapid characterization of biomass properties. © 2011 Institute of Botany, Chinese Academy of Sciences.

  8. IRMPD Spectroscopy Sheds New (Infrared) Light on the Sulfate Pattern of Carbohydrates.

    Science.gov (United States)

    Schindler, B; Barnes, L; Gray, C J; Chambert, S; Flitsch, S L; Oomens, J; Daniel, R; Allouche, A R; Compagnon, I

    2017-03-16

    IR spectroscopy of gas-phase ions is proposed to resolve positional isomers of sulfated carbohydrates. Mass spectrometric fingerprints and gas-phase vibrational spectra in the near and mid-IR regions were obtained for sulfated monosaccharides, yielding unambiguous signatures of sulfated isomers. We report the first systematic exploration of the biologically relevant but notoriously challenging deprotonated state in the near IR region. Remarkably, anions displayed very atypical vibrational profiles, which challenge the well-established DFT (Density Functionnal Theory) modeling. The proposed approach was used to elucidate the sulfate patterns in glycosaminoglycans, a ubiquitous class of mammalian carbohydrates, which is regarded as a major challenge in carbohydrate structural analysis. Isomeric glycosaminoglycan disaccharides from heparin and chondroitin sources were resolved, highlighting the potential of infrared multiple photon dissociation spectroscopy as a novel structural tool for carbohydrates.

  9. Detection of Nitroaromatic and Peroxide Explosives in Air Using Infrared Spectroscopy: QCL and FTIR

    Directory of Open Access Journals (Sweden)

    Leonardo C. Pacheco-Londoño

    2013-01-01

    Full Text Available A methodology for processing spectroscopic information using a chemometrics-based analysis was designed and implemented in the detection of highly energetic materials (HEMs in the gas phase at trace levels. The presence of the nitroaromatic HEM 2,4-dinitrotoluene (2,4-DNT and the cyclic organic peroxide triacetone triperoxide (TATP in air was detected by chemometrics-enhanced vibrational spectroscopy. Several infrared experimental setups were tested using traditional heated sources (globar, modulated and nonmodulated FT-IR, and quantum cascade laser- (QCL- based dispersive IR spectroscopy. The data obtained from the gas phase absorption experiments in the midinfrared (MIR region were used for building the chemometrics models. Partial least-squares discriminant analysis (PLS-DA was used to generate pattern recognition schemes for trace amounts of explosives in air. The QCL-based methodology exhibited a better capacity of discrimination for the detected presence of HEM in air compared to other methodologies.

  10. Quantitative determination of the human breast milk macronutrients by near-infrared Raman spectroscopy

    Science.gov (United States)

    Motta, Edlene d. C. M.; Zângaro, Renato A.; Silveira, Landulfo, Jr.

    2012-03-01

    This work proposes the evaluation of the macronutrient constitution of human breast milk based on the spectral information provided by near-infrared Raman spectroscopy. Human breast milk (5 mL) from a subject was collected during the first two weeks of breastfeeding and stocked in -20°C freezer. Raman spectra were measured using a Raman spectrometer (830 nm excitation) coupled to a fiber based Raman probe. Spectra of human milk were dominated by bands of proteins, lipids and carbohydrates in the 600-1800 cm-1 spectral region. Raman spectroscopy revealed differences in the biochemical constitution of human milk depending on the time of breastfeeding startup. This technique could be employed to develop a classification routine for the milk in Human Milk Banking (HMB) depending on the nutritional facts.

  11. Quantifying ternary mixtures of different solid-state forms of indomethacin by Raman and near-infrared spectroscopy

    DEFF Research Database (Denmark)

    Heinz, Andrea; Savolainen, Marja; Rades, Thomas

    2007-01-01

    This study assessed the ability of vibrational spectroscopy combined with multivariate analysis to quantify ternary mixtures of different solid-state forms, including the amorphous form. Raman and near-infrared spectroscopy were used to quantify mixtures of alpha-, gamma-, and amorphous indometha......This study assessed the ability of vibrational spectroscopy combined with multivariate analysis to quantify ternary mixtures of different solid-state forms, including the amorphous form. Raman and near-infrared spectroscopy were used to quantify mixtures of alpha-, gamma-, and amorphous...... by mean centering proved to be the best approaches to pre-process the data. With four partial least squares factors, root mean square errors of prediction ranging from 5.3% to 6.5% for Raman spectroscopy and 4.0% to 5.9% for near-infrared spectroscopy were calculated. In addition, the effects of potential...... with a small sampling area when stationary sample holders were used, introduced the largest variation into both spectroscopic assays. The overall method errors were found to be very similar, resulting in relative standard deviations up to 12.0% for Raman spectroscopy and up to 13.0% for near-infrared...

  12. Characteristics of Soil Humic Substances as Determined by Conventional and Synchrotron Fourier Transform Infrared Spectroscopy

    Science.gov (United States)

    Wang, S.; Song, X. Y.; Wang, N.; Li, C. X.; Wang, W.; Zhang, J. J.

    2014-11-01

    Humic substances (HS) play an important role in soil fertility and carbon sequestration in soil. The structural characteristics of soil HS, extracted from two natural soils and a laboratory-incubated soil, were investigated by conventional beamline-based Fourier transform infrared radiation (CB-FTIR), a common FTIR technique based on a conventional thermal source, and synchrotron radiation-based (SR-FTIR) spectroscopy. The relative area of absorbance peaks that appeared at 2930, 2860, 1711, and 1635 cm-1 were calculated to make a comparison of the absorbance intensities. The absorption of aromatic functional groups of HS was stronger in SR-FTIR spectroscopy than in CB-FTIR spectroscopy. Compared with humic acid extracted with a 0.1 mol/l Na4P2O7 solution, the level of aliphaticity in humic acid extracted with a 0.1 mol/l NaOH solution was higher. The aliphaticity of humin associated with clay (HMc) was higher than that of humin associated with iron (HMi). These results suggest that SR-FTIR spectroscopy is a useful and nondestructive technique to study the structural characteristics of soil humic substances. Sequential extraction of soil humic substances with NaOH and Na4P2O7 solutions may be helpful in providing additional information in cases where differences in the material obtained from different extraction solutions occur. The aliphaticity and complexity of HMc were higher than those of HMi.

  13. Raman, Infrared, and Laser-Induced Breakdown Spectroscopy Identification of Particles in Raw Materials.

    Science.gov (United States)

    Lee, Kathryn; Lankers, Markus; Valet, Oliver

    2018-02-01

    Raw materials need to be of a certain quality with respect to physical and chemical composition. They also need to have no contaminants, including particles, because these could indicate raw material impurities or contaminate the product. Particle identification allows determination of process conditions that caused them and whether the quality of the final product is acceptable. Particles may appear to the eye to be very different things than they actually are. They may be coated with the raw material and may consist of several components; therefore, chemical and elemental analyses are required for accuracy in proper identification and definitive information about their source. Thus, microscope versions of Raman spectroscopy, laser-induced breakdown spectroscopy (LIBS), and infrared (IR) spectroscopy are excellent tools for identifying particles in materials. Those tools are fast and accurate, and can provide chemical and elemental composition as well as images that can aid identification. The micro-analysis capabilities allow for easy analysis of different portions of samples so that multiple components can be identified and sample preparation can be reduced or eliminated. The differences in sensitivities of Raman and IR spectroscopies to different functional groups as well as the elemental analysis provided by LIBS and the image analysis provided by the microscopy makes these complementary techniques and provides the advantage of identifying various chemical components. Proper spectral searching techniques and interpretation of the results are important for interpretation and identification of trace contaminants.

  14. Application of ATR-far-infrared spectroscopy to the analysis of natural resins.

    Science.gov (United States)

    Prati, Silvia; Sciutto, Giorgia; Mazzeo, Rocco; Torri, Cristian; Fabbri, Daniele

    2011-03-01

    This study proposes FTIR spectroscopy in the far-infrared region (FarIR) as an alternative method for the characterisation of natural resins. To this purpose, standards of natural resins belonging to four different categories (sesquiterpenic, i.e. elemi, shellac; diterpenic, i.e. colophony, Venice turpentine; diterpenic with polymerised components, i.e. copal, sandarac; triterpenic, i.e. mastic and dammar) used as paint varnishes have been analysed by FarIR spectroscopy in ATR mode. Discrimination between spectral data and repeatability of measurements have been magnified and verified using principal component analysis, in order to verify the effectiveness of the method in distinguishing the four resin categories. The same samples were analysed in the MidIR range, but the spectral differences between the different categories were not evident. Moreover, the method has been tested on historical samples from the painting "La Battaglia di Cialdiran" (sixteenth century) and from a gilded leather (seventeenth century). In the first case, FarIR spectroscopy allowed confirmation of the results obtained by analytical pyrolysis. In the latter, FarIR spectroscopy proved successfully, effective in the identification of the superficial resin layer that could not be detected with the bulk chromatographic analyses.

  15. Applications of mid-infrared spectroscopy in the clinical laboratory setting.

    Science.gov (United States)

    De Bruyne, Sander; Speeckaert, Marijn M; Delanghe, Joris R

    2018-01-01

    Fourier transform mid-infrared (MIR-FTIR) spectroscopy is a nondestructive, label-free, highly sensitive and specific technique that provides complete information on the chemical composition of biological samples. The technique both can offer fundamental structural information and serve as a quantitative analysis tool. Therefore, it has many potential applications in different fields of clinical laboratory science. Although considerable technological progress has been made to promote biomedical applications of this powerful analytical technique, most clinical laboratory analyses are based on spectroscopic measurements in the visible or ultraviolet (UV) spectrum and the potential role of FTIR spectroscopy still remains unexplored. In this review, we present some general principles of FTIR spectroscopy as a useful method to study molecules in specimens by MIR radiation together with a short overview of methods to interpret spectral data. We aim at illustrating the wide range of potential applications of the proposed technique in the clinical laboratory setting with a focus on its advantages and limitations and discussing the future directions. The reviewed applications of MIR spectroscopy include (1) quantification of clinical parameters in body fluids, (2) diagnosis and monitoring of cancer and other diseases by analysis of body fluids, cells, and tissues, (3) classification of clinically relevant microorganisms, and (4) analysis of kidney stones, nails, and faecal fat.

  16. Brain oxygen saturation assessment in neonates using T2-prepared blood imaging of oxygen saturation and near-infrared spectroscopy.

    Science.gov (United States)

    Alderliesten, Thomas; De Vis, Jill B; Lemmers, Petra Ma; Hendrikse, Jeroen; Groenendaal, Floris; van Bel, Frank; Benders, Manon Jnl; Petersen, Esben T

    2017-03-01

    Although near-infrared spectroscopy is increasingly being used to monitor cerebral oxygenation in neonates, it has a limited penetration depth. The T 2 -prepared Blood Imaging of Oxygen Saturation (T 2 -BIOS) magnetic resonance sequence provides an oxygen saturation estimate on a voxel-by-voxel basis, without needing a respiratory calibration experiment. In 15 neonates, oxygen saturation measured by T 2 -prepared blood imaging of oxygen saturation and near-infrared spectroscopy were compared. In addition, these measures were compared to cerebral blood flow and venous oxygen saturation in the sagittal sinus. A strong linear relation was found between the oxygen saturation measured by magnetic resonance imaging and the oxygen saturation measured by near-infrared spectroscopy ( R 2  = 0.64, p infrared spectroscopy oxygen saturation, and magnetic resonance imaging measures of frontal cerebral blood flow, whole brain cerebral blood flow and venous oxygen saturation in the sagittal sinus ( R 2  = 0.71, 0.50, 0.65; p infrared spectroscopy and T 2 -prepared blood imaging of oxygen saturation, confirming the validity of using of these techniques for determining cerebral oxygenation.

  17. Mid-infrared spectroscopy combined with chemometrics to detect Sclerotinia stem rot on oilseed rape (Brassica napusL.) leaves.

    Science.gov (United States)

    Zhang, Chu; Feng, Xuping; Wang, Jian; Liu, Fei; He, Yong; Zhou, Weijun

    2017-01-01

    Detection of plant diseases in a fast and simple way is crucial for timely disease control. Conventionally, plant diseases are accurately identified by DNA, RNA or serology based methods which are time consuming, complex and expensive. Mid-infrared spectroscopy is a promising technique that simplifies the detection procedure for the disease. Mid-infrared spectroscopy was used to identify the spectral differences between healthy and infected oilseed rape leaves. Two different sample sets from two experiments were used to explore and validate the feasibility of using mid-infrared spectroscopy in detecting Sclerotinia stem rot (SSR) on oilseed rape leaves. The average mid-infrared spectra showed differences between healthy and infected leaves, and the differences varied among different sample sets. Optimal wavenumbers for the 2 sample sets selected by the second derivative spectra were similar, indicating the efficacy of selecting optimal wavenumbers. Chemometric methods were further used to quantitatively detect the oilseed rape leaves infected by SSR, including the partial least squares-discriminant analysis, support vector machine and extreme learning machine. The discriminant models using the full spectra and the optimal wavenumbers of the 2 sample sets were effective for classification accuracies over 80%. The discriminant results for the 2 sample sets varied due to variations in the samples. The use of two sample sets proved and validated the feasibility of using mid-infrared spectroscopy and chemometric methods for detecting SSR on oilseed rape leaves. The similarities among the selected optimal wavenumbers in different sample sets made it feasible to simplify the models and build practical models. Mid-infrared spectroscopy is a reliable and promising technique for SSR control. This study helps in developing practical application of using mid-infrared spectroscopy combined with chemometrics to detect plant disease.

  18. [Degradation characteristics of transgenic cotton residues in soil by Fourier transform infrared spectroscopy].

    Science.gov (United States)

    Chen, Zhen-Hua; Zhang, Yu-Lan; Jia, Yin-Hua; Chen, Li-Jun; Liu, Xing-Bin; Wu, Zhi-Jie

    2011-01-01

    After transgenic cotton residues incubated in soil 430 d, the contents and structural characteristics of soil humus fractions, fulvic acid, humic acid and humin were measured by potassium dichromate titrimetric method and Fourier transform infrared spectroscopy. The results showed that all soil humus fractions increased after the degradation of cotton residues, and the most relative increase was with humin and the least was with fulvic acid. Compared to their near-isogenic non-transgenic cottons, soil humus content for transgenic Bt cotton residue decreased, and that forr transgenic Bt+CpTI cotton Z41 was approximate, but that for transgenic Bt+CpTI cotton SGK321 increased. Infrared spectroscopy of fulvic acid, humic acid and humin showed the addition of cotton residue decreased the content of oxygenous groups, and increased the alkyl and amide groups. There were differences in the speed to form soil humus among three transgenic cottons. Transgenic Bt cotton was slower than its counterpart, transgenic Bt+CpTI cotton Z41 was approximate to its counterpart, but transgenic Bt+CpTI cotton SGK321 was faster than its counterpart.

  19. A novel method for a fast diagnosis of septic arthritis using mid infrared and deported spectroscopy.

    Science.gov (United States)

    Albert, Jean-David; Monbet, Valérie; Jolivet-Gougeon, Anne; Fatih, Nadia; Le Corvec, Maëna; Seck, Malik; Charpentier, Frédéric; Coiffier, Guillaume; Boussard-Pledel, Catherine; Bureau, Bruno; Guggenbuhl, Pascal; Loréal, Olivier

    2016-05-01

    To assess the ability of mid infrared deported spectroscopy to discriminate synovial fluids samples of septic arthritis patients from other causes of joint effusion. Synovial fluids obtained from patients with clinically suspected arthritis were collected, analysed and classified according to standard diagnostic procedures as septic or non-septic. A spectroscopic analysis on synovial fluid samples was then performed using a coiled optical fiber made with chalcogenide glass. After a factorial analysis of the normalized spectra and the computation of a Fisher test used to select the most relevant components, a logistic regression model was fitted, allowing to attribute a score between 0 - non-septic -, and 1 - septic. In a first phase, we analysed the synovial fluids from 122 different synovial fluids including 6 septic arthritis among arthritis of various origins. Septic synovial fluids were identified with a sensitivity of 95.8% and a specificity of 93.9% and an AUROC of 0.977. The analysis of an independent set of samples (n=42, including two septic arthritis) gave similar values. Our data strongly supports the interest of mid infrared deported spectroscopy, which could be used potentially at point of care, for a rapid and easy diagnosis of septic arthritis. Now, the precision of the diagnosis must be evaluated through a multicentric study on a larger panel of patients. Copyright © 2015 Société française de rhumatologie. Published by Elsevier SAS. All rights reserved.

  20. 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.