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Sample records for species detection spectroscopy

  1. Photoelectron-photoion coincidence spectroscopy for multiplexed detection of intermediate species in a flame.

    PubMed

    Krüger, Julia; Garcia, Gustavo A; Felsmann, Daniel; Moshammer, Kai; Lackner, Alexander; Brockhinke, Andreas; Nahon, Laurent; Kohse-Höinghaus, Katharina

    2014-11-01

    Complex reactive processes in the gas phase often proceed via numerous reaction steps and intermediate species that must be identified and quantified to develop an understanding of the reaction pathways and establish suitable reaction mechanisms. Here, photoelectron-photoion coincidence (PEPICO) spectroscopy has been applied to analyse combustion intermediates present in a premixed fuel-rich (ϕ = 1.7) ethene-oxygen flame diluted with 25% argon, burning at a reduced pressure of 40 mbar. For the first time, multiplexing fixed-photon-energy PEPICO measurements were demonstrated in a chemically complex reactive system such as a flame in comparison with the scanning "threshold" TPEPICO approach used in recent pioneering combustion investigations. The technique presented here is capable of detecting and identifying multiple species by their cations' vibronic fingerprints, including radicals and pairs or triplets of isomers, from a single time-efficient measurement at a selected fixed photon energy. Vibrational structures for these species have been obtained in very good agreement with scanning-mode threshold photoelectron spectra taken under the same conditions. From such spectra, the temperature in the ionisation volume was determined. Exemplary analysis of species profiles and mole fraction ratios for isomers shows favourable agreement with results obtained by more common electron ionisation and photoionisation mass spectrometry experiments. It is expected that the multiplexing fixed-photon-energy PEPICO technique can contribute effectively to the analysis of chemical reactivity and kinetics in and beyond combustion. PMID:25237782

  2. CARS (coherent anti-Stokes Raman spectroscopy) detection of gaseous species for diamond deposition process

    SciTech Connect

    Roman, W.C.; Eckbreth, A.C. )

    1989-01-01

    In order to understand the complicated chemical and physical processes that occur during the deposition of hard face coatings such as diamond, diagnostics that are remote, nonintrusive and sensitive to potential chemical species are necessary. One particularly promising approach is coherent anti-Stokes Raman spectroscopy (CARS) useful for measurements of temperature and species concentrations. Results to be described will include CARS measurements on a PACVD reactor used for depositing high quality diamond films. A mixture of acetylene (C{sub 2}H{sub 2}) and Argon, tested over a range of total pressures down to 0.1 Torr, was used to calibrate the CARS system. With the existing CARS system, detectivity of C{sub 2}H{sub 2} to 5 mtorr was demonstrated. This paper describes details of the scanned narrowband colinear CARS system and examples of CARS spectra obtained for CH{sub 4} and C{sub 2}H{sub 2} species under rf PACVD diamond deposition conditions and also using an alternate filament assisted technique.

  3. Isotopologue-Sensitive Detection Using Chirped-Pulse Ft-Mw Spectroscopy: Minor Species of Propofol

    NASA Astrophysics Data System (ADS)

    Lesarri, Alberto; Neill, Justin; Muckle, Matt; Shipman, Steven T.; Pate, Brooks H.; Suenram, Richard D.; Caminati, Walther

    2009-06-01

    The capabilities of chirped-pulse FT-microwave spectroscopy to achieve full-bandwidth (11 GHz) isotopologue-sensitive detection have been tested on the 13-heavy atoms molecule of propofol (2,6-diisopropylphenol). The analysis of the rotational spectrum using moderate signal averaging (10 k FIDs) had previously detected the presence of two conformers arising from the combined internal rotations of the hydroxyl and the two isopropyl groups. In the new experiment reported here 600 k FID's were coherently averaged, using three pulsed nozzle sources and reading multiple FIDs per sample injection cycle to reduce the total acquisition time and sample consumption. The new spectrum revealed a very large number of weak transitions, suggesting that full-band ^{13}C sensitivity had been surpassed. The new data have resulted in the assignment of a third conformer of propofol, followed by all twelve ^{13}C-monosubstituted species in natural abundance for the most stable conformer. The isotopic information confirmed the molecular structure for the preferred conformation of propofol, validating the ab initio predictions for this compound. The potential function for the OH internal rotation has been determined using a flexible model. A. Lesarri, S. T. Shipman, G. G. Brown, L. Alvarez-Valtierra, R. D. Suenram and B. H. Pate, 63^rd OSU Int. Symp. On Mol. Spectrosc., Columbus, OH, 2008, RH07 In the

  4. Detection of carotenoids present in blood of various animal species using Raman spectroscopy

    NASA Astrophysics Data System (ADS)

    Liaqat, Maryam; Younus, Ayesha; Saleem, Muhammad; Rashid, Imaad; Yaseen, Maria; Jabeen, Saher

    Raman spectroscopy is simple stable powerful diagnostic tool for body fluids, tissues and other biomolecules. Human blood possesses different kind of carotenoids that play a key role for protecting the cells from damaging by different viral and bacterial diseases. Carotenoids are antioxidative components which are capable to overcome the attack of different free radicals and reactive oxygen species. Carotenoids are not prepared by human body, therefore it is recommended to eat carotenoids enrich vegetable foods. No standard data is available on the concentration of useful carotenoids component in non-vegetable consumed items. In present research work, Raman spectroscopy is used to compare various blood components like plasma, serum, carotenoids present in blood of different animal species like goat, sheep, cow and buffalo consumed by human. Especially beta carotene is investigated. The Raman shift ranges from 600-1700 cm-1 for samples. Different characteristic peaks of the blood components are found which are not characterized before in animal samples. Doctrate Student in Photonics Deparatment of Electrical Engineering.

  5. Detection and quantification of species authenticity and adulteration in crabmeat using visible and near-infrared spectroscopy.

    PubMed

    Gayo, Javier; Hale, Scott A

    2007-02-01

    Seafood processing often removes morphological properties of seafood species that enable the consumer to distinguish one type of organism from another. For this reason, species substitution is the most common form of economic adulteration in the seafood industry. Visible and near-infrared spectroscopy (Vis/NIR) has been used to detect and quantify species authenticity and adulteration in crabmeat samples. Atlantic blue crabmeat was adulterated with blue swimmer crabmeat in 10% increments. Water absorption bands dominated the main features in the crabmeat spectra, with a decrease in sample absorbance with increasing adulteration percentage. Several data pretreatments, i.e., moving average, combing, first and second derivatives, and multiplicative scatter correction, in addition to the raw data, were investigated for prediction and quantitative data analysis using partial least-squares. In addition, quantitative analysis was done using the full spectrum and a sequential approach in which 50 wavelengths were added sequentially to determine a new model and find an optimal solution. The results suggest that Vis/NIR spectroscopy is a suitable technology that can be applied to detect and quantify species authenticity and adulteration in crabmeat.

  6. Trace species detection: Spectroscopy and molecular energy transfer at high temperature

    SciTech Connect

    Gray, J.A.

    1993-12-01

    Monitoring the concentration of trace species such as atomic and molecular free radicals is essential in forming predictive models of combustion processes. LIF-based techniques have the necessary sensitivity for concentration and temperature measurements but have limited accuracy due to collisional quenching in combustion applications. The goal of this program is to use spectroscopic and kinetic measurements to quantify nonradiative and collisional effects on LIF signals and to develop new background-free alternatives to LIF. The authors have measured the natural linewidth of several OH A-X (3,0) rotational transitions to determine predissociation lifetimes in the upper state, which were presumed to be short compared to quenching lifetimes, and as a result, quantitative predictions about the applicability of predissociation fluorescence methods at high pressures are made. The authors are investigating collisional energy transfer in the A-state of NO. Quenching rates which enable direct corrections to NO LIF quantum yields at high temperature were calculations. These quenching rates are now being used in studies of turbulence/chemistry interactions. The authors have measured the electric dipole moment {mu} of excited-state NO using Stark quantum-beat spectroscopy. {mu} is an essential input to a harpoon model which predicts quenching efficiencies for NO (A) by a variety of combustion-related species. The authors are developing new coherent multiphoton techniques for measurements of atomic hydrogen concentration in laboratory flames to avoid the quenching problems associated with previous multiphoton LIF schemes.

  7. Rapid molecular detection of invasive species in ballast and harbor water by integrating environmental DNA and light transmission spectroscopy.

    PubMed

    Egan, Scott P; Grey, Erin; Olds, Brett; Feder, Jeffery L; Ruggiero, Steven T; Tanner, Carol E; Lodge, David M

    2015-04-01

    Invasive species introduced via the ballast water of commercial ships cause enormous environmental and economic damage worldwide. Accurate monitoring for these often microscopic and morphologically indistinguishable species is challenging but critical for mitigating damages. We apply eDNA sampling, which involves the filtering and subsequent DNA extraction of microscopic bits of tissue suspended in water, to ballast and harbor water sampled during a commercial ship's 1400 km voyage through the North American Great Lakes. Using a lab-based gel electrophoresis assay and a rapid, field-ready light transmission spectroscopy (LTS) assay, we test for the presence of two invasive species: quagga (Dreissena bugensis) and zebra (D. polymorpha) mussels. Furthermore, we spiked a set of uninfested ballast and harbor samples with zebra mussel tissue to further test each assay's detection capabilities. In unmanipulated samples, zebra mussel was not detected, while quagga mussel was detected in all samples at a rate of 85% for the gel assay and 100% for the LTS assay. In the spiked experimental samples, both assays detected zebra mussel in 94% of spiked samples and 0% of negative controls. Overall, these results demonstrate that eDNA sampling is effective for monitoring ballast-mediated invasions and that LTS has the potential for rapid, field-based detection. PMID:25686279

  8. Rapid molecular detection of invasive species in ballast and harbor water by integrating environmental DNA and light transmission spectroscopy.

    PubMed

    Egan, Scott P; Grey, Erin; Olds, Brett; Feder, Jeffery L; Ruggiero, Steven T; Tanner, Carol E; Lodge, David M

    2015-04-01

    Invasive species introduced via the ballast water of commercial ships cause enormous environmental and economic damage worldwide. Accurate monitoring for these often microscopic and morphologically indistinguishable species is challenging but critical for mitigating damages. We apply eDNA sampling, which involves the filtering and subsequent DNA extraction of microscopic bits of tissue suspended in water, to ballast and harbor water sampled during a commercial ship's 1400 km voyage through the North American Great Lakes. Using a lab-based gel electrophoresis assay and a rapid, field-ready light transmission spectroscopy (LTS) assay, we test for the presence of two invasive species: quagga (Dreissena bugensis) and zebra (D. polymorpha) mussels. Furthermore, we spiked a set of uninfested ballast and harbor samples with zebra mussel tissue to further test each assay's detection capabilities. In unmanipulated samples, zebra mussel was not detected, while quagga mussel was detected in all samples at a rate of 85% for the gel assay and 100% for the LTS assay. In the spiked experimental samples, both assays detected zebra mussel in 94% of spiked samples and 0% of negative controls. Overall, these results demonstrate that eDNA sampling is effective for monitoring ballast-mediated invasions and that LTS has the potential for rapid, field-based detection.

  9. Fiber optic apparatus for detecting molecular species by surface enhanced Raman spectroscopy

    DOEpatents

    Angel, S.M.; Sharma, S.K.

    1987-11-30

    Optrode apparatus for detecting constituents of a fluid medium includes an optical fiber having a metal coating on at least a portion of a light transmissive core. The metal is one, such as silver, gold or copper, which enhances emission of Raman signal frequencies by molecules adsorbed on the surface of the coating when monochromatic probe light of a different frequency is scattered by such molecules and the metal coating is sufficiently thin to transmit light between the adsorbed molecules and the core of the fiber. Probe light is directed into one end of the fiber and a detector analyzes light emitted from the fiber for Raman frequencies that identify one or more particular molecular species. In one form, the optrode may function as a working electrode of an electrochemical cell while also serving to detect the products of oxidation or reduction reactions which occur at the electrode surface. 6 figs.

  10. Fiber optic apparatus for detecting molecular species by surface enhanced Raman spectroscopy

    DOEpatents

    Angel, S.M.; Sharma, S.K.

    1988-11-01

    Optrode apparatus for detecting constituents of a fluid medium includes an optical fiber having a metal coating on at least a portion of a light transmissive core. The metal is one, such as silver, gold or copper, which enhances emission of Raman signal frequencies by molecules adsorbed on the surface of the coating when monochromatic probe light of a different frequency is scattered by such molecules and the metal coating is sufficiently thin to transmit light between the absorbed molecules and the core of the fiber. Probe light is directed into one end of the fiber and a detector analyzes light emitted from the fiber for Raman frequencies that identify one or more particular molecular species. In one form, the optrode may function as a working electrode of an electrochemical cell while also serving to detect the products of oxidation or reduction reactions which occur at the electrode surface. 6 figs.

  11. A sensitive detection method for high resolution spectroscopy of trapped antihydrogen, hydrogen and other trapped species

    NASA Astrophysics Data System (ADS)

    Lenz Cesar, Claudio

    2016-04-01

    A method for detection of the weak 1s-2s laser excitation of a few trapped antihydrogen atoms is described. It involves the typical antihydrogen trapping environment that combines a magnetic trap for the atoms as well as a Penning trap for its constituent particles. By photoionization of the excited state the photoion can be kept in a weak Penning trap and at a suitable time be ejected towards a charged particle detector such as a microchannel plate or a channel electron multiplier. Since it does not rely on annihilation, the method is also suitable for trapped hydrogen and may find application with other species when a weak transition to a metastable state is intended and only a few trapped atoms or molecules are available.

  12. Fiber optic apparatus for detecting molecular species by surface enhanced Raman spectroscopy

    DOEpatents

    Angel, Stanley M.; Sharma, Shiv K.

    1988-01-01

    Optrode apparatus for detecting constituents of a fluid medium includes an optical fiber (13, 13a to 13e) having a metal coating (22, 22a to 22e) on at least a portion of a light transmissive core (17, 17a to 17d). The metal is one, such as silver, gold or copper, which enhances emission of Raman signal frequencies by molecules adsorbed on the surface of the coating when monochromatic probe light of a different frequency is scattered by such molecules and the metal coating is sufficiently thin to transmit light between the absorbed molecules and the core of the fiber. Probe light is directed into one end of the fiber and a detector (16, 16d, 16e) analyzes light emitted from the fiber for Raman frequencies that identify one or more particular molecular species. In one form, the optrode (13e) may function as a working electrode of an electrochemical cell (53) while also serving to detect the products of oxidation or reduction reactions which occur at the electrode surface.

  13. Detection of Neutral Species in Silane Plasma Using Coherent Anti-Stokes Raman Spectroscopy

    NASA Astrophysics Data System (ADS)

    Hata, Nobuhiro; Matsuda, Akihisa; Tanaka, Kazunobu; Kajiyama, Koichi; Moro, Norio; Sajiki, Kazuaki

    1983-01-01

    Coherent Anti-Stokes Raman Spectroscopy (CARS) has been employed for the first time to investigate silane (SiH4) glow-discharge plasma. By measuring ν1 vibrational line of silane as a function of position between the two electrodes, spatial distribution of silane (number density) in the (bulk) plasma has been determined for various gas pressures. It has been demonstrated that CARS is an excellent diagnostic tool for a chemically-active plasma such as silane-based glow discharge.

  14. Detection and Quantitative Analysis of Chemical Species in Hanford Tank Materials Using Raman Spectroscopy Technology: FY94Florida State University Raman Spectroscopy Report

    SciTech Connect

    Reich, F.R.

    1997-08-11

    This report provides a summary of work completed in FY-94 by FSU to develop and investigate the feasibility of using Raman spectroscopy with Hanford tank waste materials. Raman performance impacts from sample morphology, including the effects of absorption, particle size, density, color and refractive index, are discussed. An algorithm for relative species concentration measurement from Raman data is presented. An Algorithm for applying Raman to tank waste core screening is presented and discussed. A library of absorption and Raman spectra are presented that support this work.

  15. Comparison of the Detection Characteristics of Trace Species Using Laser-Induced Breakdown Spectroscopy and Laser Breakdown Time-of-Flight Mass Spectrometry

    PubMed Central

    Wang, Zhenzhen; Deguchi, Yoshihiro; Yan, Junjie; Liu, Jiping

    2015-01-01

    The rapid and precise element measurement of trace species, such as mercury, iodine, strontium, cesium, etc. is imperative for various applications, especially for industrial needs. The elements mercury and iodine were measured by two detection methods for comparison of the corresponding detection features. A laser beam was focused to induce plasma. Emission and ion signals were detected using laser-induced breakdown spectroscopy (LIBS) and laser breakdown time-of-flight mass spectrometry (LB-TOFMS). Multi-photon ionization and electron impact ionization in the plasma generation process can be controlled by the pressure and pulse width. The effect of electron impact ionization on continuum emission, coexisting molecular and atomic emissions became weakened in low pressure condition. When the pressure was less than 1 Pa, the plasma was induced by laser dissociation and multi-photon ionization in LB-TOFMS. According to the experimental results, the detection limits of mercury and iodine in N2 were 3.5 ppb and 60 ppb using low pressure LIBS. The mercury and iodine detection limits using LB-TOFMS were 1.2 ppb and 9.0 ppb, which were enhanced due to different detection features. The detection systems of LIBS and LB-TOFMS can be selected depending on the condition of each application. PMID:25769051

  16. Short-lived species detection of nitrous acid by external-cavity quantum cascade laser based quartz-enhanced photoacoustic absorption spectroscopy

    SciTech Connect

    Yi, Hongming; Maamary, Rabih; Fertein, Eric; Chen, Weidong; Gao, Xiaoming; Sigrist, Markus W.

    2015-03-09

    Spectroscopic detection of short-lived gaseous nitrous acid (HONO) at 1254.85 cm{sup −1} was realized by off-beam coupled quartz-enhanced photoacoustic spectroscopy (QEPAS) in conjunction with an external cavity quantum cascade lasers (EC-QCL). High sensitivity monitoring of HONO was performed within a very small gas-sample volume (of ∼40 mm{sup 3}) allowing a significant reduction (of about 4 orders of magnitude) of air sampling residence time which is highly desired for accurate quantification of chemically reactive short-lived species. Calibration of the developed QEPAS-based HONO sensor was carried out by means of lab-generated HONO samples whose concentrations were determined by direct absorption spectroscopy involving a ∼109.5 m multipass cell and a distributed feedback QCL. A minimum detection limit (MDL) of 66 ppbv (1 σ) HONO was achieved at 70 mbar using a laser output power of 50 mW and 1 s integration time, which corresponded to a normalized noise equivalent absorption coefficient of 3.6 × 10{sup −8 }cm{sup −1} W/Hz{sup 1/2}. This MDL was down to 7 ppbv at the optimal integration time of 150 s. The corresponding 1σ minimum detected absorption coefficient is ∼1.1 × 10{sup −7 }cm{sup −1} (MDL ∼ 3 ppbv) in 1 s and ∼1.1 × 10{sup −8 }cm{sup −1} (MDL ∼ 330 pptv) in 150 s, respectively, with 1 W laser power.

  17. Spectroscopy of transient neutral species via negative ion photoelectron spectroscopy

    SciTech Connect

    Weaver, A.

    1991-12-01

    Negative ion photoelectron spectroscopy has been used to study two types of transient neutral species: bound free radicals (NO{sub 2} and NO{sub 3}) and unstable neutral species ([IHI] and [FH{sub 2}]). The negative ion time-of-flight photoelectron spectrometer used for these experiments is described in detail.

  18. Spectroscopy of transient neutral species via negative ion photoelectron spectroscopy

    SciTech Connect

    Weaver, A.

    1991-12-01

    Negative ion photoelectron spectroscopy has been used to study two types of transient neutral species: bound free radicals (NO{sub 2} and NO{sub 3}) and unstable neutral species ((IHI) and (FH{sub 2})). The negative ion time-of-flight photoelectron spectrometer used for these experiments is described in detail.

  19. Raman spectroscopy for identification of wood species

    NASA Astrophysics Data System (ADS)

    Gerasimov, V. A.; Gurovich, A. M.; Kostrin, D. K.; Selivanov, L. M.; Simon, V. A.; Stuchenkov, A. B.; Paltcev, A. V.; Uhov, A. A.

    2016-08-01

    This article discusses the application of Raman spectroscopy for identification of wood species. Use of Raman spectroscopy allows increasing the certainty of determining the type of wood compared to the analysis of spectra of diffuse reflectance. Raman spectrums of different wood samples when irradiated by laser radiation are shown. Ways to improve the determination reliability of wood species due to the modernization of the identification technique are discussed. The stages of data processing, allowing carrying out correct further analysis are described.

  20. Photoacoustic spectroscopy for chemical detection

    NASA Astrophysics Data System (ADS)

    Holthoff, Ellen L.; Pellegrino, Paul M.

    2012-06-01

    The Global War on Terror has made rapid detection and identification of chemical and biological agents a priority for Military and Homeland Defense applications. Reliable real-time detection of these threats is complicated by our enemy's use of a diverse range of materials. Therefore, an adaptable platform is necessary. Photoacoustic spectroscopy (PAS) is a useful monitoring technique that is well suited for trace detection of gaseous media. This method routinely exhibits detection limits at the parts-per-billion (ppb) or sub-ppb range. The versatility of PAS also allows for the investigation of solid and liquid analytes. Current research utilizes quantum cascade lasers (QCLs) in combination with an air-coupled solid-phase photoacoustic cell design for the detection of condensed phase material films deposited on a surface. Furthermore, variation of the QCL pulse repetition rate allows for identification and molecular discrimination of analytes based solely on photoacoustic spectra collected at different film depths.

  1. Resonant cavity spectroscopy of radical species

    NASA Astrophysics Data System (ADS)

    Ritchie, Grant

    2015-04-01

    Photo-oxidation in the troposphere is highly complex, being initiated by short lived radical species, in the daytime dominated by the hydroxyl radical, OH, with contributions from Cl atoms, and at night by either NO3 radicals or ozone. Chemical oxidation cycles, which couple OH, HO2 and peroxy (RO2) radical species, remove primary emitted trace species which are harmful to humans or to the wider environment. However, many of the secondary products produced by atmospheric photo-oxidation are also directly harmful, for example O3, NO2, acidic and multifunctional species, many of which are of low volatility and are able to partition effectively to the condensed phase, creating secondary organic aerosol (SOA), which contributes a significant fraction of tropospheric aerosol, with associated impacts on climate and human health. The accuracy of atmospheric models to predict these impacts necessarily requires accurate knowledge of the chemical oxidative cycling. Two of the simplest intermediates are the hydroperoxy radical, HO2, and the smallest and dominant organic peroxy radical, CH3O2, formed directly by the reactions of OH with CO/O2 and CH4/O2, respectively, and indirectly following the oxidation of larger VOCs. OH, HO2 and RO2 (collectively known as ROx) are rapidly cycled, being at the centre of tropospheric oxidation, and hence are some of the best targets for models to compare with field data. The reaction of HO2 and RO2 with NO constitutes the only tropospheric in-situ source of O3. Despite their importance, neither HO2 nor CH3O2 is measured directly in the atmosphere. HO2 is only measured indirectly following its conversion to OH and CH3O2 is not measured at all. Typically only the sum of RO2 radicals is measured, making no distinction between different organic peroxy radicals. This contribution will detail recent studies using (i) optical feedback cavity enhanced absorption spectroscopy with both quantum and inter-band cascade lasers in the mid-IR, and (ii

  2. Laser spectroscopy and dynamics of transient species

    SciTech Connect

    Clouthier, D.J.

    1993-12-01

    The goal of this program is to study the vibrational and electronic spectra and excited state dynamics of a number of transient sulfur and oxygen species. A variety of supersonic jet techniques, as well as high resolution FT-IR and intracavity dye laser spectroscopy, have been applied to these studies.

  3. Detection and quantitative analysis of chemical species in Hanford tank materials using Raman spectroscopy technology: FY94, January 1, 1994--March 31, 1995

    SciTech Connect

    Vickers, T.J.; Mann, C.

    1995-09-12

    This report provides a summary of work completed in FY-94 by FSU to develop and investigate the feasibility of using Raman spectroscopy with Hanford tank waste materials. Raman performance impacts from sample morphology, including the effects of absorption, particle size, density, color and refractive index, are discussed. An algorithm for relative species concentration measurement from Raman data is presented. An Algorithm for applying Raman to tank waste core screening is presented and discussed. A library of absorption and Raman spectra are presented that support this work.

  4. Photothermal deflection spectroscopy and detection

    SciTech Connect

    Jackson, W. B.; Amer, Nabil M.; Boccara, A. C.; Fournier, D.

    1981-04-15

    The theory for a sensitive spectroscopy based on the photothermal deflection of a laser beam is developed. We consider cw and pulsed cases of both transverse and collinear photothermal deflection spectroscopy for solids, liquids, gases, and thin films. The predictions of the theory are experimentally verified, its implications for imaging and microscopy are given, and the sources of noise are analyzed. The sensitivity and versatility of photothermal deflection spectroscopy are compared with thermal lensing and photoacoustic spectroscopy.

  5. Waterborne pathogen detection using Raman spectroscopy.

    PubMed

    Tripathi, Ashish; Jabbour, Rabih E; Treado, Patrick J; Neiss, Jason H; Nelson, Matthew P; Jensen, Janet L; Snyder, A Peter

    2008-01-01

    Raman spectroscopy is being evaluated as a candidate technology for waterborne pathogen detection. We have investigated the impact of key experimental and background interference parameters on the bacterial species level identification performance of Raman detection. These parameters include laser-induced photodamage threshold, composition of water matrix, and organism aging in water. The laser-induced photodamage may be minimized by operating a 532 nm continuous wave laser excitation at laser power densities below 2300 W/cm(2) for Grampositive Bacillus atrophaeus (formerly Bacillus globigii, BG) vegetative cells, 2800 W/cm(2) for BG spores, and 3500 W/cm(2) for Gram-negative E. coli (EC) organisms. In general, Bacillus spore microorganism preparations may be irradiated with higher laser power densities than the equivalent Bacillus vegetative preparations. In order to evaluate the impact of background interference and organism aging, we selected a biomaterials set comprising Gram-positive (anthrax simulants) organisms, Gram-negative (plague simulant) organisms, and proteins (toxin simulants) and constructed a Raman signature classifier that identifies at the species level. Subsequently, we evaluated the impact of tap water and storage time in water (aging) on the classifier performance when characterizing B. thuringiensis spores, BG spores, and EC cell preparations. In general, the measured Raman signatures of biological organisms exhibited minimal spectral variability with respect to the age of a resting suspension and water matrix composition. The observed signature variability did not substantially degrade discrimination performance at the genus and species levels. In addition, Raman chemical imaging spectroscopy was used to distinguish a mixture of BG spores and EC cells at the single cell level.

  6. Detection of toxic effects of Cd2+ on different fish species via liver cytochrome P450-dependent monooxygenase activities and FTIR spectroscopy.

    PubMed

    Henczová, Mária; Deér, Aranka Kiss; Komlósi, Viktória; Mink, János

    2006-06-01

    The in vivo and in vitro effects of Cd2+ and the CYP1A inductor beta-naphthoflavone(beta-NF) on the hepatic cytochrome P450 (Cyt 450) monooxygenases were studied in silver carp (Hypophthalmichtys molitrix V.), wels (Silurus glanis L.), and carp (Cyprinus carpio). In vivo treatment of carp with a high dose of Cd2+ (10 mg kg(-1), for 3 days) caused a strong inhibition of 7-ethoxyresorufin-O-deethylase (EROD) and a lower inhibition of 7-ethoxycoumarin-O-deethylase (ECOD) activity. The low-dose cadmium treatment (2 mg kg(-1) Cd2+, for 6+3 days) resulted in 4-fold increase in EROD and a 3-fold increase in ECOD activity. The combined treatment with Cd2+ and beta-NF in both cases led to a loss of EROD inducibility. The silver carp and wels were treated with 10 mg L(-1) Cd2+ for 72 h in water. The Cyt P450 content in the wels liver microsomes was increased significantly after treatment for 48 h, whereas there was only a slight, not significant increase in Cyt P450 content in the silver carp microsomes. While the Cd2+ treatment resulted in inhibition of the CYP1A isoenzymes (EROD and ECOD), the APND (aminopyrene-N-demethylase, CYP2B or CYP3A isoenzyme) activity was increased 3- to 4-fold in both fish species. In vitro experiments of the effect of Cd2+ led to a concentration-dependent inhibition in all three investigated fish species. The ECOD isoenzyme of silver carp was the most sensitive to Cd2+. The lowest concentration of Cd2+ resulted in 50% inhibition. The APND isoenzyme was similarly sensitive to Cd2+ in all three investigated fish species. The most sensitive species was the wels, and the least sensitive were the carp isoenzyme. FTIR spectroscopy confirmed that cadmium caused damage to the protein structure. These results support the enzyme activity measurements measured in vivo and in vitro.

  7. Explosive detection using infrared laser spectroscopy

    NASA Astrophysics Data System (ADS)

    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.

  8. Terahertz imaging and spectroscopy for landmine detection

    NASA Astrophysics Data System (ADS)

    Fitch, Michael J.; Schauki, Dunja; Kelly, Craig A.; Osiander, Robert

    2004-04-01

    Pulsed THz (100 GHz - 30 THz) Imaging Spectroscopy combines three ways of mine detection in one system, high resolution radar, depth ranging, and infrared spectroscopy. It allows minefield detection, single mine imaging, and near-zero false alarm due to the capabilities of explosives / plastic identification using spectroscopy with working distances to 1000 feet. We have previously demonstrated imaging capabilities with 1 mm spatial resolution on a rubber O-ring embedded in sand. The estimated transmission depth in moist sand is 1 to 3 cm, which should be sufficient for imaging anti-personnel mines. In this work, we present initial results investigating the feasibility of THz spectroscopy in the frequency range from 1 to 10 THz to detect and identify explosives and related compounds (ERCs). A major component of this effort is chemical modeling to obtain spectroscopic information on ERCs and environmental background. A time-domain THz system using femtosecond laser pulses is also being developed.

  9. Raman and photothermal spectroscopies for explosive detection

    NASA Astrophysics Data System (ADS)

    Finot, Eric; Brulé, Thibault; Rai, Padmnabh; Griffart, Aurélien; Bouhélier, Alexandre; Thundat, Thomas

    2013-06-01

    Detection of explosive residues using portable devices for locating landmine and terrorist weapons must sat- isfy the application criteria of high reproducibility, specificity, sensitivity and fast response time. Vibrational spectroscopies such as Raman and infrared spectroscopies have demonstrated their potential to distinguish the members of the chemical family of more than 30 explosive materials. The characteristic chemical fingerprints in the spectra of these explosives stem from the unique bond structure of each compound. However, these spectroscopies, developed in the early sixties, suffer from a poor sensitivity. On the contrary, MEMS-based chemical sensors have shown to have very high sensitivity lowering the detection limit down to less than 1 picogram, (namely 10 part per trillion) using sensor platforms based on microcantilevers, plasmonics, or surface acoustic waves. The minimum amount of molecules that can be detected depends actually on the transducer size. The selectivity in MEMS sensors is usually realized using chemical modification of the active surface. However, the lack of sufficiently selective receptors that can be immobilized on MEMS sensors remains one of the most critical issues. Microcantilever based sensors offer an excellent opportunity to combine both the infrared photothermal spectroscopy in their static mode and the unique mass sensitivity in their dynamic mode. Optical sensors based on localized plasmon resonance can also take up the challenge of addressing the selectivity by monitoring the Surface Enhanced Raman spectrum down to few molecules. The operating conditions of these promising localized spectroscopies will be discussed in terms of reliability, compactness, data analysis and potential for mass deployment.

  10. Correlation Spectroscopy of Minor Species: Signal Purification and Distribution Analysis

    SciTech Connect

    Laurence, T A; Kwon, Y; Yin, E; Hollars, C; Camarero, J A; Barsky, D

    2006-06-21

    We are performing experiments that use fluorescence resonance energy transfer (FRET) and fluorescence correlation spectroscopy (FCS) to monitor the movement of an individual donor-labeled sliding clamp protein molecule along acceptor-labeled DNA. In addition to the FRET signal sought from the sliding clamp-DNA complexes, the detection channel for FRET contains undesirable signal from free sliding clamp and free DNA. When multiple fluorescent species contribute to a correlation signal, it is difficult or impossible to distinguish between contributions from individual species. As a remedy, we introduce ''purified FCS'' (PFCS), which uses single molecule burst analysis to select a species of interest and extract the correlation signal for further analysis. We show that by expanding the correlation region around a burst, the correlated signal is retained and the functional forms of FCS fitting equations remain valid. We demonstrate the use of PFCS in experiments with DNA sliding clamps. We also introduce ''single molecule FCS'', which obtains diffusion time estimates for each burst using expanded correlation regions. By monitoring the detachment of weakly-bound 30-mer DNA oligomers from a single-stranded DNA plasmid, we show that single molecule FCS can distinguish between bursts from species that differ by a factor of 5 in diffusion constant.

  11. Trace Explosive Detection using Photothermal Deflection Spectroscopy

    SciTech Connect

    Krause, Adam R; Van Neste, Charles W; Senesac, Larry R; Thundat, Thomas George; Finot, Eric

    2008-01-01

    Satisfying the conditions of high sensitivity and high selectivity using portable sensors that are also reversible is a challenge. Miniature sensors such as microcantilevers offer high sensitivity but suffer from poor selectivity due to the lack of sufficiently selective receptors. Although many of the mass deployable spectroscopic techniques provide high selectivity, they do not have high sensitivity. Here, we show that this challenge can be overcome by combining photothermal spectroscopy on a bimaterial microcantilever with the mass induced change in the cantilever's resonance frequency. Detection using adsorption-induced resonant frequency shift together with photothermal deflection spectroscopy shows extremely high selectivity with a subnanogram limit of detection for vapor phase adsorbed explosives, such as pentaerythritol tetranitrate (PETN), cyclotrimethylene trinitramine (RDX), and trinitrotoluene (TNT).

  12. Analog detection for cavity lifetime spectroscopy

    DOEpatents

    Zare, Richard N.; Harb, Charles C.; Paldus, Barbara A.; Spence, Thomas G.

    2001-05-15

    An analog detection system for determining a ring-down rate or decay rate 1/.tau. of an exponentially decaying ring-down beam issuing from a lifetime or ring-down cavity during a ring-down phase. Alternatively, the analog detection system determines a build-up rate of an exponentially growing beam issuing from the cavity during a ring-up phase. The analog system can be employed in continuous wave cavity ring-down spectroscopy (CW CRDS) and pulsed CRDS (P CRDS) arrangements utilizing any type of ring-down cavity including ring-cavities and linear cavities.

  13. Analog detection for cavity lifetime spectroscopy

    DOEpatents

    Zare, Richard N.; Harb, Charles C.; Paldus, Barbara A.; Spence, Thomas G.

    2003-01-01

    An analog detection system for determining a ring-down rate or decay rate 1/.tau. of an exponentially decaying ring-down beam issuing from a lifetime or ring-down cavity during a ring-down phase. Alternatively, the analog detection system determines a build-up rate of an exponentially growing beam issuing from the cavity during a ring-up phase. The analog system can be employed in continuous wave cavity ring-down spectroscopy (CW CRDS) and pulsed CRDS (P CRDS) arrangements utilizing any type of ring-down cavity including ring-cavities and linear cavities.

  14. Estimating species richness: The importance of heterogeneity in species detectability

    USGS Publications Warehouse

    Boulinier, T.; Nichols, J.D.; Sauer, J.R.; Hines, J.E.; Pollock, K.H.

    1998-01-01

    Estimating species richness (i.e. the actual number of species present in a given area) is a basic objective of many field studies carried out in community ecology and is also of crucial concern when dealing with the conservation and management of biodiversity. In most studies, the total number of species recorded in an area at a given time is taken as a measure of species richness. Here we use a capture-recapture approach to species richness estimation with North American Breeding Bird Survey (BBS) data in order to estimate species detectability and thus gain insight about its importance. We carried out analyses on all survey routes of four states, Arizona, Maryland, North Dakota, and Wisconsin, in two years, 1970 and 1990. These states were chosen to provide contrasting habitats, bird species composition and survey quality. We investigated the effect of state, year and observer ability on the proportions of different models selected, and on estimates of detectability and species richness. Our results indicate that model Mh, which assumes heterogeneous detection probability among species, is frequently appropriate for estimating species richness from BBS data. Species detectability varied among states and was higher for the more skilled observers. These results emphasize the need to take into account potential heterogeneities in detectability among species in studies of factors affecting species richness.

  15. Infrared Spectroscopy of Halogenated Species for Atmospheric Remote Sensing

    NASA Astrophysics Data System (ADS)

    Harrison, Jeremy J.

    2014-06-01

    Fluorine- and chlorine-containing molecules in the atmosphere are very strong greenhouse gases, meaning that even small amounts of these gases contribute significantly to the radiative forcing of climate. Chlorofluorocarbons (CFCs) and hydrochlorofluorocarbons (HCFCs) are regulated by the 1987 Montreal Protocol because they deplete the ozone layer. Hydrofluorocarbons (HFCs), which do not deplete the ozone layer and are not regulated by the Montreal Protocol, have been introduced as replacements for CFCs and HCFCs. HFCs have global-warming potentials many times greater than carbon dioxide, and are increasing in the atmosphere at a very fast rate. Various satellite instruments monitor many of these molecules by detecting infrared radiation that has passed through the Earth's atmosphere. However, the quantification of their atmospheric abundances crucially requires accurate quantitative infrared spectroscopy. This talk will focus on new and improved laboratory spectroscopic measurements for a number of important halogenated species.

  16. Occlusal caries detection using polarized Raman spectroscopy

    NASA Astrophysics Data System (ADS)

    Ionita, I.; Bulou, A.

    2008-02-01

    The tooth enamel, because of its hydroxyapatite composition, must present a Raman spectrum with strong polarization anisotropy. Carious lesions of the enamel will produce an alteration of local symmetry and will increase much more scattering of light. This will reduce the anisotropy of the Raman spectra. Because of the difference between high sensitivity to polarization of the 959 cm -1 Raman peak in sound enamel and low sensitivity in carried enamel, Raman polarized spectroscopy could be a useful method to early detect teeth caries.

  17. Detection of Endolithes Using Infrared Spectroscopy

    NASA Astrophysics Data System (ADS)

    Dumas, S.; Dutil, Y.; Joncas, G.

    2009-12-01

    On Earth, the Dry Valleys of Antarctica provide the closest martian-like environment for the study of extremophiles. Colonies of bacterias are protected from the freezing temperatures, the drought and UV light. They represent almost half of the biomass of those regions. Due to their resilience, endolithes are one possible model of martian biota. We propose to use infrared spectroscopy to remotely detect those colonies even if there is no obvious sign of their presence. This remote sensing approach reduces the risk of contamination or damage to the samples.

  18. Microorganisms detection on substrates using QCL spectroscopy

    NASA Astrophysics Data System (ADS)

    Padilla-Jiménez, Amira C.; Ortiz-Rivera, William; Castro-Suarez, John R.; Ríos-Velázquez, Carlos; Vázquez-Ayala, Iris; Hernández-Rivera, Samuel P.

    2013-05-01

    Recent investigations have focused on the improvement of rapid and accurate methods to develop spectroscopic markers of compounds constituting microorganisms that are considered biological threats. Quantum cascade lasers (QCL) systems have revolutionized many areas of research and development in defense and security applications, including his area of research. Infrared spectroscopy detection based on QCL was employed to acquire mid infrared (MIR) spectral signatures of Bacillus thuringiensis (Bt), Escherichia coli (Ec) and Staphylococcus epidermidis (Se), which were used as biological agent simulants of biothreats. The experiments were carried out in reflection mode on various substrates such as cardboard, glass, travel baggage, wood and stainless steel. Chemometrics statistical routines such as principal component analysis (PCA) regression and partial least squares-discriminant analysis (PLS-DA) were applied to the recorded MIR spectra. The results show that the infrared vibrational techniques investigated are useful for classification/detection of the target microorganisms on the types of substrates studied.

  19. Covariance Spectroscopy Applied to Nuclear Radiation Detection

    SciTech Connect

    Trainham, R., Tinsley, J., Keegan, R., Quam, W.

    2011-09-01

    Covariance spectroscopy is a method of processing second order moments of data to obtain information that is usually absent from average spectra. In nuclear radiation detection it represents a generalization of nuclear coincidence techniques. Correlations and fluctuations in data encode valuable information about radiation sources, transport media, and detection systems. Gaining access to the extra information can help to untangle complicated spectra, uncover overlapping peaks, accelerate source identification, and even sense directionality. Correlations existing at the source level are particularly valuable since many radioactive isotopes emit correlated gammas and neutrons. Correlations also arise from interactions within detector systems, and from scattering in the environment. In particular, correlations from Compton scattering and pair production within a detector array can be usefully exploited in scenarios where direct measurement of source correlations would be unfeasible. We present a covariance analysis of a few experimental data sets to illustrate the utility of the concept.

  20. Explosives detection using quantum cascade laser spectroscopy

    NASA Astrophysics Data System (ADS)

    Castro-Suarez, John R.; Pollock, Yadira S.; Hernandez-Rivera, Samuel P.

    2013-05-01

    An infrared spectroscopy based explosives detection system using a quantum cascade laser (QCL) as excitation source was used to record mid infrared spectral signals of highly energetic materials (HEM) deposited on real world substrates such as travel baggage, cardboard and wood. The HEMs used were nitroaromatic military explosive trinitrotoluene (TNT), aliphatic nitrate ester pentaerythritol tetranitrate (PETN) and aliphatic nitramine hexahydrotrinitrotriazine (RDX). Various deposition methods including sample smearing, spin coating, spray deposition and partial immersion were evaluated for preparing samples and standards used as part of the study. Chemometrics statistical routines such as principal component analysis (PCA) regression with various preprocessing steps were applied to the recorded infrared spectra of explosives deposited as trace contaminants on target substrates. The results show that the dispersive infrared vibrational technique investigated using QCL is useful for detection of HEMs in the types of substrates studied.

  1. Detecting changes during pregnancy with Raman spectroscopy

    NASA Astrophysics Data System (ADS)

    Vargis, Elizabeth; Robertson, Kesha; Al-Hendy, Ayman; Reese, Jeff; Mahadevan-Jansen, Anita

    2010-02-01

    Preterm labor is the second leading cause of neonatal mortality and leads to a myriad of complications like delayed development and cerebral palsy. Currently, there is no way to accurately predict preterm labor, making its prevention and treatment virtually impossible. While there are some at-risk patients, over half of all preterm births do not fall into any high-risk category. This study seeks to predict and prevent preterm labor by using Raman spectroscopy to detect changes in the cervix during pregnancy. Since Raman spectroscopy has been used to detect cancers in vivo in organs like the cervix and skin, it follows that spectra will change over the course of pregnancy. Previous studies have shown that fluorescence decreased during pregnancy and increased during post-partum exams to pre-pregnancy levels. We believe significant changes will occur in the Raman spectra obtained during the course of pregnancy. In this study, Raman spectra from the cervix of pregnant mice and women will be acquired. Specific changes that occur due to cervical softening or changes in hormonal levels will be observed to understand the likelihood that a female mouse or a woman will enter labor.

  2. Vibrational spectroscopy of a transient species through time-resolved Fourier transform infrared emission spectroscopy: The vinyl radical

    SciTech Connect

    Letendre, Laura; Liu, Dean-Kuo; Pibel, Charles D.; Halpern, Joshua B.; Dai, Hai-Lung

    2000-06-01

    An approach for detecting the vibrational spectrum of transient species is demonstrated on the vinyl radical. Photodissociation of carefully chosen precursors at selected photolysis wavelengths produce highly vibrationally excited radicals. Infrared (IR) emission from these radicals is then measured by time-resolved Fourier transform spectroscopy with nanosecond time resolution. All nine vibrational bands of the vinyl radical, generated from four different precursors, are obtained and reported here for the first time. (c) 2000 American Institute of Physics.

  3. Detection of uranium using laser-induced breakdown spectroscopy.

    PubMed

    Chinni, Rosemarie C; Cremers, David A; Radziemski, Leon J; Bostian, Melissa; Navarro-Northrup, Claudia

    2009-11-01

    The goal of this work is a detailed study of uranium detection by laser-induced breakdown spectroscopy (LIBS) for application to activities associated with environmental surveillance and detecting weapons of mass destruction (WMD). The study was used to assist development of LIBS instruments for standoff detection of bulk radiological and nuclear materials and these materials distributed as contaminants on surfaces. Uranium spectra were analyzed under a variety of different conditions at room pressure, reduced pressures, and in an argon atmosphere. All spectra displayed a high apparent background due to the high density of uranium lines. Time decay curves of selected uranium lines were monitored and compared to other elements in an attempt to maximize detection capabilities for each species in the complicated uranium spectrum. A survey of the LIBS uranium spectra was conducted and relative emission line strengths were determined over the range of 260 to 800 nm. These spectra provide a guide for selection of the strongest LIBS analytical lines for uranium detection in different spectral regions. A detection limit for uranium in soil of 0.26% w/w was obtained at close range and 0.5% w/w was achieved at a distance of 30 m. Surface detection limits were substrate dependent and ranged from 13 to 150 microg/cm2. Double-pulse experiments (both collinear and orthogonal arrangements) were shown to enhance the uranium signal in some cases. Based on the results of this work, a short critique is given of the applicability of LIBS for the detection of uranium residues on surfaces for environmental monitoring and WMD surveillance. PMID:19891832

  4. Detection of uranium using laser-induced breakdown spectroscopy.

    PubMed

    Chinni, Rosemarie C; Cremers, David A; Radziemski, Leon J; Bostian, Melissa; Navarro-Northrup, Claudia

    2009-11-01

    The goal of this work is a detailed study of uranium detection by laser-induced breakdown spectroscopy (LIBS) for application to activities associated with environmental surveillance and detecting weapons of mass destruction (WMD). The study was used to assist development of LIBS instruments for standoff detection of bulk radiological and nuclear materials and these materials distributed as contaminants on surfaces. Uranium spectra were analyzed under a variety of different conditions at room pressure, reduced pressures, and in an argon atmosphere. All spectra displayed a high apparent background due to the high density of uranium lines. Time decay curves of selected uranium lines were monitored and compared to other elements in an attempt to maximize detection capabilities for each species in the complicated uranium spectrum. A survey of the LIBS uranium spectra was conducted and relative emission line strengths were determined over the range of 260 to 800 nm. These spectra provide a guide for selection of the strongest LIBS analytical lines for uranium detection in different spectral regions. A detection limit for uranium in soil of 0.26% w/w was obtained at close range and 0.5% w/w was achieved at a distance of 30 m. Surface detection limits were substrate dependent and ranged from 13 to 150 microg/cm2. Double-pulse experiments (both collinear and orthogonal arrangements) were shown to enhance the uranium signal in some cases. Based on the results of this work, a short critique is given of the applicability of LIBS for the detection of uranium residues on surfaces for environmental monitoring and WMD surveillance.

  5. Detection of Salmonella species in foodstuffs.

    PubMed

    Bhagwat, Arvind A; Patel, Jitu; Chua, Trina; Chan, Audrey; Cruz, Saúl Ruiz; Aguilar, Gustavo A González

    2008-01-01

    Conventional methods to detect Salmonella spp. in foodstuffs may take up to 1 wk. Methods for pathogen detection are required. Real-time detection of Salmonella spp. will broaden our ability to screen large number of samples in a short time. This chapter describes a step-by-step procedure using an oligonucleotide probe that becomes fluorescent upon hybridization to the target DNA (Molecular Beacon; MB) in a real-time polymerase chain reaction (PCR) assay. The capability of the assay to detect Salmonella species from artificially inoculated fresh- and fresh-cut produce as well as ready-to-eat meats is demonstrated. The method uses internal positive and negative controls which enable researchers to detect false-negative PCR results. The procedure uses the buffered peptone water for the enrichment of Salmonella spp. and successfully detects the pathogen at low level of contamination (2-4 cells/25 g) in <24 h.

  6. Thermal Hyperspectral Remote Sensing for Plant Species and Stress Detection

    NASA Astrophysics Data System (ADS)

    Schlerf, M.; Rock, G.; Ullah, S.; Gerhards, M.; Udelhoven, T.; Skidmore, A. K.

    2014-12-01

    Thermal infrared (TIR) spectroscopy offers a novel opportunity for measuring emissivity spectra of natural surfaces. Emissivity spectra are not directly measured, they first have to be retrieved from the raw measurements. Once retrieved, the spectra can be used, for example, to discriminate plant species or to detect plant stress. Knowledge of plant species distribution is essential for the sustainable management of ecosystems. Remote sensing of plant species has so far mostly been limited to data in the visible and near-infrared where, however, different species often reveal similar reflectance curves. Da Luz and Crowley showed in a recent paper that in the TIR plants indeed have distinct spectral features. Also with a certain species, subtle changes of emissivity in certain wavebands may occur, when biochemical compounds change due to osmotic adjustment induced by water stress. Here we show, that i) emissive imaging spectroscopy allows for reliable and accurate retrieval of plant emissivity spectra, ii) emissivity spectra are well suited to discriminate plant species, iii) a reduction in stomatal conductance (caused by stress) changes the thermal infrared signal. For 13 plant species in the laboratory and for 8 plant species in a field setup emissivity spectra were retrieved. A comparison shows, that for most species the shapes of the emissivity curves agree quite well, but that clear offsets between the two types of spectra exist. Discrimination analysis revealed that based on the lab spectra, 13 species could be distinguished with an average overall classification accuracy of 92% using the 6 best spectral bands. For the field spectra (8 species), a similar high OAA of 89% was achieved. Species discrimination is likely to be possible due to variations in the composition of the superficial epidermal layer of plant leaves and in internal chemical concentrations producing unique emissivity features. However, to date, which spectral feature is responsible for which

  7. Nanoscale NMR spectroscopy and imaging of multiple nuclear species.

    PubMed

    DeVience, Stephen J; Pham, Linh M; Lovchinsky, Igor; Sushkov, Alexander O; Bar-Gill, Nir; Belthangady, Chinmay; Casola, Francesco; Corbett, Madeleine; Zhang, Huiliang; Lukin, Mikhail; Park, Hongkun; Yacoby, Amir; Walsworth, Ronald L

    2015-02-01

    Nuclear magnetic resonance (NMR) spectroscopy and magnetic resonance imaging (MRI) provide non-invasive information about multiple nuclear species in bulk matter, with wide-ranging applications from basic physics and chemistry to biomedical imaging. However, the spatial resolution of conventional NMR and MRI is limited to several micrometres even at large magnetic fields (>1 T), which is inadequate for many frontier scientific applications such as single-molecule NMR spectroscopy and in vivo MRI of individual biological cells. A promising approach for nanoscale NMR and MRI exploits optical measurements of nitrogen-vacancy (NV) colour centres in diamond, which provide a combination of magnetic field sensitivity and nanoscale spatial resolution unmatched by any existing technology, while operating under ambient conditions in a robust, solid-state system. Recently, single, shallow NV centres were used to demonstrate NMR of nanoscale ensembles of proton spins, consisting of a statistical polarization equivalent to ∼100-1,000 spins in uniform samples covering the surface of a bulk diamond chip. Here, we realize nanoscale NMR spectroscopy and MRI of multiple nuclear species ((1)H, (19)F, (31)P) in non-uniform (spatially structured) samples under ambient conditions and at moderate magnetic fields (∼20 mT) using two complementary sensor modalities. PMID:25559712

  8. Biosignature Detection with Raman Spectroscopy on Future Martian Missions

    NASA Astrophysics Data System (ADS)

    Angell, J. P.; Gulick, V. C.

    2016-09-01

    Raman spectroscopy shows great potential in instrumentation for future Mars missions to detect both minerals and biosignatures, and the lack of sample preparation could allow for small pockets of biosignatures to be found.

  9. Autofluorescence spectroscopy and imaging for cancer detection in the larynx

    NASA Astrophysics Data System (ADS)

    Lin, Kan; Zheng, Wei; Huang, Zhiwei

    2009-11-01

    Autofluorescence imaging has shown high sensitivity for early diagnosis and detection of cancer in humans. However, it has a limitation in diagnostic specificity due to high false positive rates. In this work, we apply an integrated fluorescence spectroscopy and endoscopic imaging technique for real-time tissue measurements. The results show that the combined autofluorescence imaging and spectroscopy has the potential for improving laryngeal cancer diagnosis and detection.

  10. Operational Tree Species Mapping in a Diverse Tropical Forest with Airborne Imaging Spectroscopy

    PubMed Central

    Baldeck, Claire A.; Asner, Gregory P.; Martin, Robin E.; Anderson, Christopher B.; Knapp, David E.; Kellner, James R.; Wright, S. Joseph

    2015-01-01

    Remote identification and mapping of canopy tree species can contribute valuable information towards our understanding of ecosystem biodiversity and function over large spatial scales. However, the extreme challenges posed by highly diverse, closed-canopy tropical forests have prevented automated remote species mapping of non-flowering tree crowns in these ecosystems. We set out to identify individuals of three focal canopy tree species amongst a diverse background of tree and liana species on Barro Colorado Island, Panama, using airborne imaging spectroscopy data. First, we compared two leading single-class classification methods—binary support vector machine (SVM) and biased SVM—for their performance in identifying pixels of a single focal species. From this comparison we determined that biased SVM was more precise and created a multi-species classification model by combining the three biased SVM models. This model was applied to the imagery to identify pixels belonging to the three focal species and the prediction results were then processed to create a map of focal species crown objects. Crown-level cross-validation of the training data indicated that the multi-species classification model had pixel-level producer’s accuracies of 94–97% for the three focal species, and field validation of the predicted crown objects indicated that these had user’s accuracies of 94–100%. Our results demonstrate the ability of high spatial and spectral resolution remote sensing to accurately detect non-flowering crowns of focal species within a diverse tropical forest. We attribute the success of our model to recent classification and mapping techniques adapted to species detection in diverse closed-canopy forests, which can pave the way for remote species mapping in a wider variety of ecosystems. PMID:26153693

  11. Operational Tree Species Mapping in a Diverse Tropical Forest with Airborne Imaging Spectroscopy.

    PubMed

    Baldeck, Claire A; Asner, Gregory P; Martin, Robin E; Anderson, Christopher B; Knapp, David E; Kellner, James R; Wright, S Joseph

    2015-01-01

    Remote identification and mapping of canopy tree species can contribute valuable information towards our understanding of ecosystem biodiversity and function over large spatial scales. However, the extreme challenges posed by highly diverse, closed-canopy tropical forests have prevented automated remote species mapping of non-flowering tree crowns in these ecosystems. We set out to identify individuals of three focal canopy tree species amongst a diverse background of tree and liana species on Barro Colorado Island, Panama, using airborne imaging spectroscopy data. First, we compared two leading single-class classification methods--binary support vector machine (SVM) and biased SVM--for their performance in identifying pixels of a single focal species. From this comparison we determined that biased SVM was more precise and created a multi-species classification model by combining the three biased SVM models. This model was applied to the imagery to identify pixels belonging to the three focal species and the prediction results were then processed to create a map of focal species crown objects. Crown-level cross-validation of the training data indicated that the multi-species classification model had pixel-level producer's accuracies of 94-97% for the three focal species, and field validation of the predicted crown objects indicated that these had user's accuracies of 94-100%. Our results demonstrate the ability of high spatial and spectral resolution remote sensing to accurately detect non-flowering crowns of focal species within a diverse tropical forest. We attribute the success of our model to recent classification and mapping techniques adapted to species detection in diverse closed-canopy forests, which can pave the way for remote species mapping in a wider variety of ecosystems.

  12. Raman spectroscopy of human saliva for acute myocardial infarction detection

    NASA Astrophysics Data System (ADS)

    Chen, Maowen; Chen, Yuanxiang; Wu, Shanshan; Huang, Wei; Lin, Jinyong; Weng, Guo-Xing; Chen, Rong

    2014-09-01

    Raman spectroscopy is a rapidly non-invasive technique with great potential for biomedical research. The aim of this study was to evaluate the feasibility of using Raman spectroscopy of human saliva for acute myocardial infarction (AMI) detection. Raman spectroscopy measurements were performed on two groups of saliva samples: one group from patients (n=30) with confirmed AMI and the other group from healthy controls (n=31). The diagnostic performance for differentiating AMI saliva from normal saliva was evaluated by multivariate statistical analysis. The combination of principal component analysis (PCA) and linear discriminate analysis (LDA) of the measured Raman spectra separated the spectral features of the two groups into two distinct clusters with little overlaps, rendering the sensitivity of 80.0% and specificity of 80.6%. The results from this exploratory study demonstrated that Raman spectroscopy of human saliva can serve as a potentially clinical tool for rapid AMI detection and screening.

  13. Benchtop energetics: Detection of hyperthermal species

    NASA Astrophysics Data System (ADS)

    Fossum, Emily C.; Molek, Christopher D.; Lewis, William K.; Fajardo, Mario

    2012-03-01

    We present a novel scheme for monitoring the transition between deflagration and "detonation-like" behavior of small-scale explosive samples subjected to shock stimuli. The intended geometry for this setup incorporates a laser-driven-flyer impact technique to generate a pure mechanical input. However, we report results here using a simplified geometry for purposes of evaluating the time-of-flight mass spectrometric (TOFMS) diagnostics using direct laser ablation of solid aluminum and of an aluminum mirror coated with a small amount (~1 μg) of PETN. This manuscript presents the TOFMS detection of fast aluminum atoms (>10 km/s) resulting from laser ablation, confirming our ability to detect hyperthermal species. Preliminary results from pentaerythritol tetranitrate (PETN) experiments reveal a transition from species consistent with deflagration (primarily NO2) at low laser fluence, to those consistent with detonation-like events (N2, CO, CO2) at higher laser fluence. At this time, due to several unknown parameters in the current setup, we will not posit the exact physical details which cause this transition (e.g. shock pressures, temperatures, etc.). However, these results indicate that such a transition can be detected using the Benchtop Energetics TOFMS diagnostics setup, where future, more controlled and/or characterized energetic events may lead to better understanding of initiation/ignition thresholds of candidate materials.

  14. [Advances of NIR spectroscopy technology applied in seed quality detection].

    PubMed

    Zhu, Li-wei; Ma, Wen-guang; Hu, Jin; Zheng, Yun-ye; Tian, Yi-xin; Guan, Ya-jing; Hu, Wei-min

    2015-02-01

    Near infrared spectroscopy (NIRS) technology developed fast in recent years, due to its rapid speed, less pollution, high-efficiency and other advantages. It has been widely used in many fields such as food, chemical industry, pharmacy, agriculture and so on. The seed is the most basic and important agricultural capital goods, and seed quality is important for agricultural production. Most methods presently used for seed quality detecting were destructive, slow and needed pretreatment, therefore, developing one kind of method that is simple and rapid has great significance for seed quality testing. This article reviewed the application and trends of NIRS technology in testing of seed constituents, vigor, disease and insect pests etc. For moisture, starch, protein, fatty acid and carotene content, the model identification rates were high as their relative contents were high; for trace organic, the identification rates were low as their relative content were low. The heat-damaged seeds with low vigor were discriminated by NIRS, the seeds stored for different time could also been identified. The discrimination of frost-damaged seeds was impossible. The NIRS could be used to identify health and infected disease seeds, and did the classification for the health degree; it could identify parts of the fungal pathogens. The NIRS could identify worm-eaten and health seeds, and further distinguished the insect species, however the identification effects for small larval and low injury level of insect pests was not good enough. Finally, in present paper existing problems and development trends for NIRS in seed quality detection was discussed, especially the single seed detecting technology which was characteristic of the seed industry, the standardization of its spectral acquisition accessories will greatly improve its applicability.

  15. Differentiation of Leishmania species by FT-IR spectroscopy

    NASA Astrophysics Data System (ADS)

    Aguiar, Josafá C.; Mittmann, Josane; Ferreira, Isabelle; Ferreira-Strixino, Juliana; Raniero, Leandro

    2015-05-01

    Leishmaniasis is a parasitic infectious disease caused by protozoa that belong to the genus Leishmania. It is transmitted by the bite of an infected female Sand fly. The disease is endemic in 88 countries Desjeux (2001) [1] (16 developed countries and 72 developing countries) on four continents. In Brazil, epidemiological data show the disease is present in all Brazilian regions, with the highest incidences in the North and Northeast. There are several methods used to diagnose leishmaniasis, but these procedures have many limitations, are time consuming, have low sensitivity, and are expensive. In this context, Fourier Transform Infrared Spectroscopy (FT-IR) analysis has the potential to provide rapid results and may be adapted for a clinical test with high sensitivity and specificity. In this work, FT-IR was used as a tool to investigate the promastigotes of Leishmaniaamazonensis, Leishmaniachagasi, and Leishmaniamajor species. The spectra were analyzed by cluster analysis and deconvolution procedure base on spectra second derivatives. Results: cluster analysis found four specific regions that are able to identify the Leishmania species. The dendrogram representation clearly indicates the heterogeneity among Leishmania species. The band deconvolution done by the curve fitting in these regions quantitatively differentiated the polysaccharides, amide III, phospholipids, proteins, and nucleic acids. L. chagasi and L. major showed a greater biochemistry similarity and have three bands that were not registered in L. amazonensis. The L. amazonensis presented three specific bands that were not recorded in the other two species. It is evident that the FT-IR method is an indispensable tool to discriminate these parasites. The high sensitivity and specificity of this technique opens up the possibilities for further studies about characterization of other microorganisms.

  16. Moisture detection in composites by terahertz spectroscopy

    NASA Astrophysics Data System (ADS)

    Malinowski, Paweł; Pałka, Norbert; Opoka, Szymon; Wandowski, Tomasz; Ostachowicz, Wiesław

    2015-07-01

    The application of Glass Fibre Reinforced Polymers (GFRP) in many branches of industry has been increasing steadily. Many research works focus on damage identification for structures made out of such materials. However, not only delaminations, cracks or other damage can have a negative influence of GFRP parts performance. Previous research proved that fluid absorption influences the mechanical performance of composites. GFRP parts can be contaminated by moisture or release agent during manufacturing, while fuel, hydraulic fluid and moisture ingression into the composite can be the in-service treats. In the reported research authors focus on moisture detection. There are numerous sources of moisture such as post manufacturing NDT inspection with ultrasonics coupled by water or exposition to moisture during transportation and in service. An NDT tool used for the research is a terahertz (THz) spectrometer. The device uses an electromagnetic radiation in the terahertz range (0.1-3 THz) and allows for reflection and transmission measurements. The spectrometer is equipped with moving table that allows for XY scanning of large objects such as GFRP panels. In the conducted research refractive indices were experimentally extracted from the materials of interest (water and GFRP). Time signals as well as C-scans were analysed for samples with moisture contamination. In order to be sure that the observed effects are related to moisture contamination reference measurements were conducted. The obtained results showed that the THz NDT technique can detect moisture hidden under a GFRP with multiple layers.

  17. Crack detection using resonant ultrasound spectroscopy

    DOEpatents

    Migliori, Albert; Bell, Thomas M.; Rhodes, George W.

    1994-01-01

    Method and apparatus are provided for detecting crack-like flaws in components. A plurality of exciting frequencies are generated and applied to a component in a dry condition to obtain a first ultrasonic spectrum of the component. The component is then wet with a selected liquid to penetrate any crack-like flaws in the component. The plurality of exciting frequencies are again applied to the component and a second ultrasonic spectrum of the component is obtained. The wet and dry ultrasonic spectra are then analyzed to determine the second harmonic components in each of the ultrasonic resonance spectra and the second harmonic components are compared to ascertain the presence of crack-like flaws in the component.

  18. Crack detection using resonant ultrasound spectroscopy

    DOEpatents

    Migliori, A.; Bell, T.M.; Rhodes, G.W.

    1994-10-04

    Method and apparatus are provided for detecting crack-like flaws in components. A plurality of exciting frequencies are generated and applied to a component in a dry condition to obtain a first ultrasonic spectrum of the component. The component is then wet with a selected liquid to penetrate any crack-like flaws in the component. The plurality of exciting frequencies are again applied to the component and a second ultrasonic spectrum of the component is obtained. The wet and dry ultrasonic spectra are then analyzed to determine the second harmonic components in each of the ultrasonic resonance spectra and the second harmonic components are compared to ascertain the presence of crack-like flaws in the component. 5 figs.

  19. Differential mobility spectroscopy for chemical agent detection

    NASA Astrophysics Data System (ADS)

    Griffin, M. Todd

    2006-05-01

    General Dynamics ATP (GDATP) and Sionex Corporation (Sionex) are carrying out a cooperative development for a handheld chemical agent detector, being called JUNO TM, which will have lower false positives, higher sensitivity, and improved interference rejection compared with presently available detectors. This enhanced performance is made possible by the use of a new principle of ion separation called Differential Mobility Spectrometry (DMS). The enhanced selectivity is provided by the field tunable nature of the Sionex differential mobility technology (microDMxTM) which forms the analytical heart of the JUNO system and enables fingerprinting of molecules by characterization of the ionized molecular behavior under multiple electric field conditions. This enhanced selectivity is valuable in addressing not only the traditional list of chemical warfare agents (CWA) but also the substantial list of Toxic Industrial Compounds (TICs) and Toxic Industrial Materials (TIMs) which may be released in warfare or terrorist situations. Experimental results showing the ability of the microDMx to reject interferences, detect and resolve live agents are presented. An additional breakthrough in the technology was realized by operating the device at a reduced pressure of around 0.5 atmospheres. This reduced pressure operation resulted in roughly doubling the spectrometers resolution over what has previously been reported [1]. Advances have also been made in power consumption and packaging leading to a device suitable for portable, handheld, applications. Experimental results illustrating the performance of the microDMx technology employed in JUNO are highlighted.

  20. Micro-Raman spectroscopy for meat type detection

    NASA Astrophysics Data System (ADS)

    De Biasio, M.; Stampfer, P.; Leitner, R.; Huck, C. W.; Wiedemair, V.; Balthasar, D.

    2015-06-01

    The recent horse meat scandal in Europe increased the demand for optical sensors that can identify meat type. Micro-Raman spectroscopy is a promising technique for the discrimination of meat types. Here, we present micro-Raman measurements of chicken, pork, turkey, mutton, beef and horse meat test samples. The data was analyzed with different combinations of data normalization and classification approaches. Our results show that Raman spectroscopy can discriminate between different meat types. Red and white meat are easily discriminated, however a sophisticated chemometric model is required to discriminate species within these groups.

  1. Detection of flaws in hazelnuts using VIS/NIR spectroscopy

    Technology Transfer Automated Retrieval System (TEKTRAN)

    The feasibility of VIS/NIR spectroscopy for detection of flaws in hazelnut kernels was demonstrated. Feature datasets comprising raw absorbance values, raw absorbance Ratios (Abs['1] : Abs['2]) and Differences (Abs['1] – Abs['2]) for all possible pairs of wavelengths from 306.5 nm to 1710.9 nm were ...

  2. Time-Resolved Mid-Infrared Frequency Comb Spectroscopy of Transient Radical Species

    NASA Astrophysics Data System (ADS)

    Bui, Thinh; Fleisher, Adam; Bjork, Bryce; Cossel, Kevin; Ye, Jun; Okumura, Michio; JILA Collaboration; California Institute Of Technology Collaboration

    2014-05-01

    Understanding chemical reactions require unambiguous determinations of reactant, intermediate, and product concentrations on time scales faster than the reaction rate. For high detection sensitivities, direct absorption spectroscopy in the mid-infrared can often be desirable due to strongly absorbing fundamental molecular vibrations. Here, we demonstrate time-resolved frequency comb spectroscopy (TRFCS), a mid-infrared broadband technique for the study of chemical reactions on the μs timescale, to measure an important transient free radicals species, hydroxyformyl radical trans-DOCO. Directly after photolysis of the chemical precursor acrylic acid-d1, we measure absolute trans-DOCO product concentrations as well as its subsequent loss with a time resolution of 25 μs. In addition to trans-DOCO product formation, we observed unexpected C-H bond fission channels in photoexcited acrylic acid.

  3. High sensitivity detection of NO2 employing off-axis integrated cavity output spectroscopy coupled with multiple line integrated spectroscopy

    NASA Astrophysics Data System (ADS)

    Rao, Gottipaty N.; Karpf, Andreas

    2011-05-01

    We report on the development of a new sensor for NO2 with ultrahigh sensitivity of detection. This has been accomplished by combining off-axis integrated cavity output spectroscopy (OA-ICOS) (which can provide large path lengths of the order of several km in a small volume cell) with multiple line integrated absorption spectroscopy (MLIAS) (where we integrate the absorption spectra over a large number of rotational-vibrational transitions of the molecular species to further improve the sensitivity). Employing an external cavity tunable quantum cascade laser operating in the 1601 - 1670 cm-1 range and a high-finesse optical cavity, the absorption spectra of NO2 over 100 transitions in the R-band have been recorded. From the observed linear relationship between the integrated absorption vs. concentration of NO2, we report an effective sensitivity of detection of 10 ppt for NO2. To the best of our knowledge, this is among the most sensitive levels of detection of NO2 to date. A sensitive sensor for the detection of NO2 will be helpful to monitor the ambient air quality, combustion emissions from the automobiles, power plants, aircraft and for the detection of nitrate based explosives (which are commonly used in improvised explosives (IEDs)). Additionally such a sensor would be valuable for the study of complex chemical reactions that undergo in the atmosphere resulting in the formation of photochemical smog, tropospheric ozone and acid rain.

  4. Double-pulse standoff laser-induced breakdown spectroscopy for versatile hazardous materials detection

    NASA Astrophysics Data System (ADS)

    Gottfried, Jennifer L.; De Lucia, Frank C.; Munson, Chase A.; Miziolek, Andrzej W.

    2007-12-01

    We have developed a double-pulse standoff laser-induced breakdown spectroscopy (ST-LIBS) system capable of detecting a variety of hazardous materials at tens of meters. The use of a double-pulse laser improves the sensitivity and selectivity of ST-LIBS, especially for the detection of energetic materials. In addition to various metallic and plastic materials, the system has been used to detect bulk explosives RDX and Composition-B, explosive residues, biological species such as the anthrax surrogate Bacillus subtilis, and chemical warfare simulants at 20 m. We have also demonstrated the discrimination of explosive residues from various interferents on an aluminum substrate.

  5. Detection of toxic monofluoroacetate in Palicourea species

    Technology Transfer Automated Retrieval System (TEKTRAN)

    Numerous plant species worldwide including some Palicourea (Rubiaceae), Tanaecium (Bignoniaceae), and Amorimia (Malpighiaceae) species in Brazil cause sudden death and are known to contain monofluoroacetate (MFA). Two species of Palicourea, P. aenofusca and P. marcgravii, cause sudden death and are...

  6. Single-Electron Detection and Spectroscopy via Relativistic Cyclotron Radiation.

    PubMed

    Asner, D M; Bradley, R F; de Viveiros, L; Doe, P J; Fernandes, J L; Fertl, M; Finn, E C; Formaggio, J A; Furse, D; Jones, A M; Kofron, J N; LaRoque, B H; Leber, M; McBride, E L; Miller, M L; Mohanmurthy, P; Monreal, B; Oblath, N S; Robertson, R G H; Rosenberg, L J; Rybka, G; Rysewyk, D; Sternberg, M G; Tedeschi, J R; Thümmler, T; VanDevender, B A; Woods, N L

    2015-04-24

    It has been understood since 1897 that accelerating charges must emit electromagnetic radiation. Although first derived in 1904, cyclotron radiation from a single electron orbiting in a magnetic field has never been observed directly. We demonstrate single-electron detection in a novel radio-frequency spectrometer. The relativistic shift in the cyclotron frequency permits a precise electron energy measurement. Precise beta electron spectroscopy from gaseous radiation sources is a key technique in modern efforts to measure the neutrino mass via the tritium decay end point, and this work demonstrates a fundamentally new approach to precision beta spectroscopy for future neutrino mass experiments.

  7. Epithelial cancer detection by oblique-incidence optical spectroscopy

    NASA Astrophysics Data System (ADS)

    Garcia-Uribe, Alejandro; Balareddy, Karthik C.; Zou, Jun; Wang, Kenneth K.; Duvic, Madeleine; Wang, Lihong V.

    2009-02-01

    This paper presents a study on non-invasive detection of two common epithelial cancers (skin and esophagus) based on oblique incidence diffuse reflectance spectroscopy (OIDRS). An OIDRS measurement system, which combines fiber optics and MEMS technologies, was developed. In our pilot studies, a total number of 137 cases have been measured in-vivo for skin cancer detection and a total number of 20 biopsy samples have been measured ex-vivo for esophageal cancer detection. To automatically differentiate the cancerous cases from benign ones, a statistical software classification program was also developed. An overall classification accuracy of 90% and 100% has been achieved for skin and esophageal cancer classification, respectively.

  8. [Identification of Microalgae Species Using Visible/Near Infrared Transmission Spectroscopy].

    PubMed

    Zhu, Hong-yan; Shao, Yong-ni; Jiang, Lu-lu; Guo, An-que; Pan, Jian; He, Yong

    2016-01-01

    At present, the identification and classification of the microalgae and its biochemical analysis have become one of the hot spots on marine biology research. Four microalgae species, including Chlorella vulgaris, Chlorella pyrenoidosa, Nannochloropsis oculata, Chlamydomonas reinhardtii, were chosen as the experimental materials. Using an established spectral acquisition system, which consists of a portable USB 4000 spectrometer having transmitting and receiving fiber bundles connected by a fiber optic probe, a halogen light source, and a computer, the Vis/NIR transmission spectral data of 120 different samples of the microalgae with different concentration gradients were collected, and the spectral curves of fourmicroalgae species were pre-processed by different pre-treatment methods (baseline filtering, convolution smoothing, etc. ). Based on the pre-treated effects, SPA was applied to select effective wavelengths (EWs), and the selected EWs were introduced as inputs to develop and compare PLS, Least Square Support Vector Machines (LS-SVM), Extreme Learning Machine (ELM)models, so as to explore the feasibility of using Vis/NIR transmission spectroscopy technology for the rapid identification of four microalgae species in situ. The results showed that: the effect of Savitzky-Golay smoothing was much better than the other pre-treatment methods. Six EWs selected in the spectraby SPA were possibly relevant to the content of carotenoids, chlorophyll in the microalgae. Moreover, the SPA-PLS model obtained better performance than the Full-Spectral-PLS model. The average prediction accuracy of three methods including SPA-LV-SVM, SPA-ELM, and SPA-PLS were 80%, 85% and 65%. The established method in this study may identify four microalgae species effectively, which provides a new way for the identification and classification of the microalgae species. The methodology using Vis/NIR spectroscopy with a portable optic probe would be applicable to a diverse range of microalgae

  9. Label free detection of phospholipids by infrared absorption spectroscopy

    NASA Astrophysics Data System (ADS)

    Ahmed, Tahsin; Foster, Erick; Vigil, Genevieve; Khan, Aamir A.; Bohn, Paul; Howard, Scott S.

    2014-08-01

    We present our study on compact, label-free dissolved lipid sensing by combining capillary electrophoresis separation in a PDMS microfluidic chip online with mid-infrared (MIR) absorption spectroscopy for biomarker detection. On-chip capillary electrophoresis is used to separate the biomarkers without introducing any extrinsic contrast agent, which reduces both cost and complexity. The label free biomarker detection could be done by interrogating separated biomarkers in the channel by MIR absorption spectroscopy. Phospholipids biomarkers of degenerative neurological, kidney, and bone diseases are detectable using this label free technique. These phospholipids exhibit strong absorption resonances in the MIR and are present in biofluids including urine, blood plasma, and cerebrospinal fluid. MIR spectroscopy of a 12-carbon chain phosphatidic acid (PA) (1,2-dilauroyl-snglycero- 3-phosphate (sodium salt)) dissolved in N-methylformamide, exhibits a strong amide peak near wavenumber 1660 cm-1 (wavelength 6 μm), arising from the phosphate headgroup vibrations within a low-loss window of the solvent. PA has a similar structure to many important phospholipids molecules like phosphatidylcholine (PC), phosphatidylinositol (PI), phosphatidylethanolamine (PE), phosphatidylglycerol (PG), and phosphatidylserine (PS), making it an ideal molecule for initial proof-of-concept studies. This newly proposed detection technique can lead us to minimal sample preparation and is capable of identifying several biomarkers from the same sample simultaneously.

  10. Nuclear magnetic resonance detection and spectroscopy of single proteins using quantum logic

    NASA Astrophysics Data System (ADS)

    Lovchinsky, I.; Sushkov, A. O.; Urbach, E.; de Leon, N. P.; Choi, S.; De Greve, K.; Evans, R.; Gertner, R.; Bersin, E.; Müller, C.; McGuinness, L.; Jelezko, F.; Walsworth, R. L.; Park, H.; Lukin, M. D.

    2016-02-01

    Nuclear magnetic resonance spectroscopy is a powerful tool for the structural analysis of organic compounds and biomolecules but typically requires macroscopic sample quantities. We use a sensor, which consists of two quantum bits corresponding to an electronic spin and an ancillary nuclear spin, to demonstrate room temperature magnetic resonance detection and spectroscopy of multiple nuclear species within individual ubiquitin proteins attached to the diamond surface. Using quantum logic to improve readout fidelity and a surface-treatment technique to extend the spin coherence time of shallow nitrogen-vacancy centers, we demonstrate magnetic field sensitivity sufficient to detect individual proton spins within 1 second of integration. This gain in sensitivity enables high-confidence detection of individual proteins and allows us to observe spectral features that reveal information about their chemical composition.

  11. Nuclear magnetic resonance detection and spectroscopy of single proteins using quantum logic.

    PubMed

    Lovchinsky, I; Sushkov, A O; Urbach, E; de Leon, N P; Choi, S; De Greve, K; Evans, R; Gertner, R; Bersin, E; Müller, C; McGuinness, L; Jelezko, F; Walsworth, R L; Park, H; Lukin, M D

    2016-02-19

    Nuclear magnetic resonance spectroscopy is a powerful tool for the structural analysis of organic compounds and biomolecules but typically requires macroscopic sample quantities. We use a sensor, which consists of two quantum bits corresponding to an electronic spin and an ancillary nuclear spin, to demonstrate room temperature magnetic resonance detection and spectroscopy of multiple nuclear species within individual ubiquitin proteins attached to the diamond surface. Using quantum logic to improve readout fidelity and a surface-treatment technique to extend the spin coherence time of shallow nitrogen-vacancy centers, we demonstrate magnetic field sensitivity sufficient to detect individual proton spins within 1 second of integration. This gain in sensitivity enables high-confidence detection of individual proteins and allows us to observe spectral features that reveal information about their chemical composition.

  12. Nuclear magnetic resonance detection and spectroscopy of single proteins using quantum logic.

    PubMed

    Lovchinsky, I; Sushkov, A O; Urbach, E; de Leon, N P; Choi, S; De Greve, K; Evans, R; Gertner, R; Bersin, E; Müller, C; McGuinness, L; Jelezko, F; Walsworth, R L; Park, H; Lukin, M D

    2016-02-19

    Nuclear magnetic resonance spectroscopy is a powerful tool for the structural analysis of organic compounds and biomolecules but typically requires macroscopic sample quantities. We use a sensor, which consists of two quantum bits corresponding to an electronic spin and an ancillary nuclear spin, to demonstrate room temperature magnetic resonance detection and spectroscopy of multiple nuclear species within individual ubiquitin proteins attached to the diamond surface. Using quantum logic to improve readout fidelity and a surface-treatment technique to extend the spin coherence time of shallow nitrogen-vacancy centers, we demonstrate magnetic field sensitivity sufficient to detect individual proton spins within 1 second of integration. This gain in sensitivity enables high-confidence detection of individual proteins and allows us to observe spectral features that reveal information about their chemical composition. PMID:26847544

  13. Evaluation of endogenous species involved in brain tumors using multiphoton photoacoustic spectroscopy

    NASA Astrophysics Data System (ADS)

    Dahal, Sudhir; Cullum, Brian M.

    2013-05-01

    It has been shown that using non-resonant multiphoton photoacoustic spectroscopy (NMPPAS), excised brain tumor (grade III astrocytoma) and healthy tissue can be differentiated from each other, even in neighboring biopsy samples[1, 2]. Because of this, this powerful technique offers a great deal of potential for use as a surgical guidance technique for tumor margining with up to cellular level spatial resolution[3]. NMPPAS spectra are obtained by monitoring the non-radiative relaxation pathways via ultrasonic detection, following two-photon excitation with light in the optical diagnostic window (740nm-1100nm). Based upon significant differences in the ratiometric absorption of the tissues following 970nm and 1100nm excitation, a clear classification of the tissue can be made. These differences are the result of variations in composition and oxidation state of certain endogenous biochemical species between healthy and malignant tissues. In this work, NADH, NAD+ and ATP were measured using NMPPAS in model gelatin tissue phantoms to begin to understand which species might be responsible for the observed spectral differences in the tissue. Each species was placed in specific pH environments to provide control over the ratio of oxidized to reduced forms of the species. Ratiometric analyses were then conducted to account for variability caused due to instrumental parameters. This paper will discuss the potential roles of each of the species for tumor determination and their contribution to the spectral signature.

  14. Trace aerosol detection and identification by dynamic photoacoustic spectroscopy.

    PubMed

    Sullenberger, R M; Clark, M L; Kunz, R R; Samuels, A C; Emge, D K; Ellzy, M W; Wynn, C M

    2014-12-15

    Dynamic photoacoustic spectroscopy (DPAS) is a high sensitivity technique for standoff detection of trace vapors. A field-portable DPAS system has potential as an early warning provider for gaseous-based chemical threats. For the first time, we utilize DPAS to successfully detect the presence of trace aerosols. Aerosol identification via long-wavelength infrared (LWIR) spectra is demonstrated. We estimate the sensitivity of our DPAS system to aerosols comprised of silica particles is comparable to that of SF(6) gas based on a signal level per absorbance unit metric for the two materials. The implications of these measurements are discussed. PMID:25607495

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

    PubMed

    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. PMID:26377936

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

    PubMed

    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.

  17. Detection of early caries by laser-induced breakdown spectroscopy

    NASA Astrophysics Data System (ADS)

    Sasazawa, Shuhei; Kakino, Satoko; Matsuura, Yuji

    2015-07-01

    To improve sensitivity of dental caries detection by laser-induced breakdown spectroscopy (LIBS) analysis, it is proposed to utilize emission peaks in the ultraviolet. We newly focused on zinc whose emission peaks exist in ultraviolet because zinc exists at high concentration in the outer layer of enamel. It was shown that by using ratios between heights of an emission peak of Zn and that of Ca, the detection sensitivity and stability are largely improved. It was also shown that early caries are differentiated from healthy part by properly setting a threshold in the detected ratios. The proposed caries detection system can be applied to dental laser systems such as ones based on Er:YAG-lasers. When ablating early caries part by laser light, the system notices the dentist that the ablation of caries part is finished. We also show the intensity of emission peaks of zinc decreased with ablation with Er:YAG laser light.

  18. Innovative design for early detection of invasive species

    EPA Science Inventory

    Non-native aquatic species impose significant ecological impacts and rising financial costs in marine and freshwater ecosystems worldwide. Early detection of invasive species, as they enter a vulnerable ecosystem, is critical to successful containment and eradication. ORD, at t...

  19. SPECIES-SPECIFIC DETECTION OF HYDROCARBON UTILIZING BACTERIA. (R825810)

    EPA Science Inventory

    Rapid detection and quantitative assessment of specific microbial species in environmental samples is desirable for monitoring changes in ecosystems and for tracking natural or introduced microbial species during bioremediation of contaminated sites. In the interests of develo...

  20. Detection of albumin unfolding preceding proteolysis using Fourier transform infrared spectroscopy and chemometric data analysis.

    PubMed

    Domínguez-Vidal, Ana; Saenz-Navajas, María P; Ayora-Cañada, María José; Lendl, Bernhard

    2006-05-15

    The hydrolysis of bovine serum albumin with protease K at 60 degrees C has been studied by means of infrared spectroscopy. Two-dimensional correlation spectroscopy (2DCoS) has been used to study spectral changes in the reaction. The use of the multivariate curve resolution-alternating least-squares method applied to infrared measurements allowed the recovery of pure infrared spectra and concentration profiles of the different species involved in the reaction. Special attention was paid to the careful inspection of residuals again using 2DCoS. In this way, a heat-induced unfolding step previous to protein hydrolysis was identified. The infrared spectra of the intermediate species showed a more disordered structure than native albumin, the decrease in alpha-helix conformation being especially noticeable. The formation of beta-sheet aggregates due to heating was detected too.

  1. Botulinum Neurotoxin Serotypes Detected by Electrochemical Impedance Spectroscopy

    PubMed Central

    Savage, Alison C.; Buckley, Nicholas; Halliwell, Jennifer; Gwenin, Christopher

    2015-01-01

    Botulinum neurotoxin is one of the deadliest biological toxins known to mankind and is able to cause the debilitating disease botulism. The rapid detection of the different serotypes of botulinum neurotoxin is essential for both diagnosis of botulism and identifying the presence of toxin in potential cases of terrorism and food contamination. The modes of action of botulinum neurotoxins are well-established in literature and differ for each serotype. The toxins are known to specifically cleave portions of the SNARE proteins SNAP-25 or VAMP; an interaction that can be monitored by electrochemical impedance spectroscopy. This study presents a SNAP-25 and a VAMP biosensors for detecting the activity of five botulinum neurotoxin serotypes (A–E) using electrochemical impedance spectroscopy. The biosensors are able to detect concentrations of toxins as low as 25 fg/mL, in a short time-frame compared with the current standard methods of detection. Both biosensors show greater specificity for their compatible serotypes compared with incompatible serotypes and denatured toxins. PMID:25954998

  2. Multimodal spectroscopy detects features of vulnerable atherosclerotic plaque

    NASA Astrophysics Data System (ADS)

    Šćepanović, Obrad R.; Fitzmaurice, Maryann; Miller, Arnold; Kong, Chae-Ryon; Volynskaya, Zoya; Dasari, Ramachandra R.; Kramer, John R.; Feld, Michael S.

    2011-01-01

    Early detection and treatment of rupture-prone vulnerable atherosclerotic plaques is critical to reducing patient mortality associated with cardiovascular disease. The combination of reflectance, fluorescence, and Raman spectroscopy-termed multimodal spectroscopy (MMS)-provides detailed biochemical information about tissue and can detect vulnerable plaque features: thin fibrous cap (TFC), necrotic core (NC), superficial foam cells (SFC), and thrombus. Ex vivo MMS spectra are collected from 12 patients that underwent carotid endarterectomy or femoral bypass surgery. Data are collected by means of a unitary MMS optical fiber probe and a portable clinical instrument. Blinded histopathological analysis is used to assess the vulnerability of each spectrally evaluated artery lesion. Modeling of the ex vivo MMS spectra produce objective parameters that correlate with the presence of vulnerable plaque features: TFC with fluorescence parameters indicative of collagen presence; NC/SFC with a combination of diffuse reflectance β-carotene/ceroid absorption and the Raman spectral signature of lipids; and thrombus with its Raman signature. Using these parameters, suspected vulnerable plaques can be detected with a sensitivity of 96% and specificity of 72%. These encouraging results warrant the continued development of MMS as a catheter-based clinical diagnostic technique for early detection of vulnerable plaques.

  3. Static magnetic Faraday rotation spectroscopy combined with a differential scheme for OH detection

    NASA Astrophysics Data System (ADS)

    Zhao, Weixiong; Deng, Lunhua; Qian, Xiaodong; Fang, Bo; Gai, Yanbo; Chen, Weidong; Gao, Xiaoming; Zhang, Weijun

    2015-04-01

    The hydroxyl (OH) radical plays a critical role in atmospheric chemistry due to its high reactivity with volatile organic compounds (VOCs) and other trace gaseous species. Because of its very short life time and very low concentration in the atmosphere, interference-free high sensitivity in-situ OH monitoring by laser spectroscopy represents a real challenge. Faraday rotation spectroscopy (FRS) relies on the particular magneto-optic effect observed for paramagnetic species, which makes it capable of enhancing the detection sensitivity and mitigation of spectral interferences from diamagnetic species in the atmosphere. When an AC magnetic field is used, the Zeeman splitting of the molecular absorption line (and thus the magnetic circular birefringence) is modulated. This provides an 'internal modulation' of the sample, which permits to suppress the external noise like interference fringes. An alternative FRS detection scheme is to use a static magnetic field (DC-field) associated with laser wavelength modulation to effectively modulate the Zeeman splitting of the absorption lines. In the DC field case, wavelength modulation of the laser frequency can provide excellent performance compared to most of the sensing systems based on direct absorption and wavelength modulation spectroscopy. The dimension of the DC solenoid is not limited by the resonant frequency of the RLC circuit, which makes large dimension solenoid coil achievable and the absorption base length could be further increased. By employing a combination of the environmental photochemical reactor or smog chamber with multipass absorption cell, one can lower the minimum detection limit for high accuracy atmospheric chemistry studies. In this paper, we report on the development of a DC field based FRS in conjunction with a balanced detection scheme for OH radical detection at 2.8 μm and the construction of OH chemistry research platform which combined a large dimension superconducting magnetic coil with the

  4. Detection of propofol concentrations in blood by Raman spectroscopy

    NASA Astrophysics Data System (ADS)

    Wróbel, M. S.; Gnyba, M.; UrniaŻ, R.; Myllylä, T. S.; Jedrzejewska-Szczerska, M.

    2015-07-01

    In this paper we present a proof-of-concept of a Raman spectroscopy-based approach for measuring the content of propofol, a common anesthesia drug, in whole human blood, and plasma, which is intended for use during clinical procedures. This method utilizes the Raman spectroscopy as a chemically-sensitive method for qualitative detection of the presence of a drug and a quantitative determination of its concentration. A number of samples from different patients with added various concentrations of propofol IV solution were measured. This is most equivalent to a real in-vivo situation. Subsequent analysis of a set of spectra was carried out to extract qualitative and quantitative information. We conclude, that the changes in the spectra of blood with propofol, overlap with the most prominent lines of the propofol solution, especially at spectral regions: 1450 cm-1, 1250- 1260 cm-1, 1050 cm-1, 875-910 cm-1, 640 cm-1. Later, we have introduced a quantitative analysis program based on correlation matrix closest fit, and a LOO cross-validation. We have achieved 36.67% and 60% model precision when considering full spectra, or specified bands, respectively. These results prove the possibility of using Raman spectroscopy for quantitative detection of propofol concentrations in whole human blood.

  5. Detection of water and its derivatives on individual nanoparticles using vibrational electron energy-loss spectroscopy.

    PubMed

    Crozier, Peter A; Aoki, Toshihiro; Liu, Qianlang

    2016-10-01

    Understanding the role of water, hydrate and hydroxyl species on nanoparticle surfaces and interfaces is very important in both physical and life sciences. Detecting the presence of oxygen-hydrogen species with nanometer resolution is extremely challenging at present. Here we show that the recently developed vibrational electron energy-loss spectroscopy using subnanometer focused electron beams can be employed to spectroscopically identify the local presence and variation of OH species on nanoscale surfaces. The hydrogen-oxygen fingerprint can be correlated with highly localized structural and morphological information obtained from electron imaging. Moreover, the current approach exploits the aloof beam mode of spectral acquisition which does not require direct electron irradiation of the sample thus greatly reducing beam damage to the OH bond. These findings open the door for using electron microscopy to probe local hydroxyl and hydrate species on nanoscale organic and inorganic structures. PMID:27423795

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

    PubMed Central

    Zimmermann, Boris; Kohler, Achim

    2014-01-01

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

  7. A near-infrared spectroscopy routine for unambiguous identification of cryptic ant species

    Technology Transfer Automated Retrieval System (TEKTRAN)

    The identification of species – of importance for most biological disciplines – is not always straightforward as cryptic species present a hurdle for traditional species discrimination. Fibre-optic near-infrared spectroscopy (NIRS) is a rapid and cheap method for a wide range of different applicatio...

  8. Single-electron detection and spectroscopy via relativistic cyclotron radiation

    SciTech Connect

    Asner, David M.; Bradley, Rich; De Viveiros Souza Filho, Luiz A.; Doe, Peter J.; Fernandes, Justin L.; Fertl, M.; Finn, Erin C.; Formaggio, Joseph; Furse, Daniel L.; Jones, Anthony M.; Kofron, Jared N.; LaRoque, Benjamin; Leber, Michelle; MCBride, Lisa; Miller, M. L.; Mohanmurthy, Prajwal T.; Monreal, Ben; Oblath, Noah S.; Robertson, R. G. H.; Rosenberg, Leslie; Rybka, Gray; Rysewyk, Devyn M.; Sternberg, Michael G.; Tedeschi, Jonathan R.; Thummler, Thomas; VanDevender, Brent A.; Woods, N. L.

    2015-04-01

    It has been understood since 1897 that accelerating charges should emit electromagnetic radiation. Cyclotron radiation, the particular form of radiation emitted by an electron orbiting in a magnetic field, was first derived in 1904. Despite the simplicity of this concept, and the enormous utility of electron spectroscopy in nuclear and particle physics, single-electron cyclotron radiation has never been observed directly. Here we demonstrate single-electron detection in a novel radiofrequency spectrometer. We observe the cyclotron radiation emitted by individual electrons that are produced with mildly-relativistic energies by a gaseous radioactive source and are magnetically trapped. The relativistic shift in the cyclotron frequency permits a precise electron energy measurement. Precise beta electron spectroscopy from gaseous radiation sources is a key technique in modern efforts to measure the neutrino mass via the tritium decay endpoint, and this work is a proof-of-concept for future neutrino mass experiments using this technique.

  9. Terahertz reflection spectroscopy for the detection of explosives

    NASA Astrophysics Data System (ADS)

    Leahy-Hoppa, Megan R.; Fitch, Michael J.; Osiander, Robert

    2008-02-01

    Terahertz (THz) technology has been demonstrated as a promising tool for detection of explosives and is being developed for aviation screening and sensing of improvised explosive devices. THz radiation is attractive for many applications due to its ability to penetrate through a wide range of dielectric materials including clothing, paper, cardboard, plastics, and wood. Of course, metals block THz waves as is the case for microwave, IR, and visible light. Our work has involved investigating the reflection spectroscopy of a variety of materials including explosives such as RDX and PETN, plastic explosive taggants such as DMDNB, and other organic materials. We have also investigated the changes of the reflection spectra in varying grades of sucrose. Spectral differences are observed between three grades of crystalline sugar in the region from 0.1 to 1 THz. By exploiting the unique spectral features, the discrimination capabilities of THz reflection spectroscopy points to the broad applicability of identifying a wide variety of materials.

  10. Laser-induced fluorescence spectroscopy in tissue local necrosis detection

    NASA Astrophysics Data System (ADS)

    Cip, Ondrej; Buchta, Zdenek; Lesundak, Adam; Randula, Antonin; Mikel, Bretislav; Lazar, Josef; Veverkova, Lenka

    2014-03-01

    The recent effort leads to reliable imaging techniques which can help to a surgeon during operations. The fluorescence spectroscopy was selected as very useful online in vivo imaging method to organics and biological materials analysis. The presented work scopes to a laser induced fluorescence spectroscopy technique to detect tissue local necrosis in small intestine surgery. In first experiments, we tested tissue auto-fluorescence technique but a signal-to-noise ratio didn't express significant results. Then we applied a contrast dye - IndoCyanine Green (ICG) which absorbs and emits wavelengths in the near IR. We arranged the pilot experimental setup based on highly coherent extended cavity diode laser (ECDL) used for stimulating of some critical areas of the small intestine tissue with injected ICG dye. We demonstrated the distribution of the ICG exciter with the first file of shots of small intestine tissue of a rabbit that was captured by high sensitivity fluorescent cam.

  11. Early detection of fungi damage in citrus using NIR spectroscopy

    NASA Astrophysics Data System (ADS)

    Blasco, Jose; Ortiz, Coral; Sabater, Maria D.; Molto, Enrique

    2000-12-01

    Early detection of defects and diseases in fruit helps to correctly classify them and make more adequate decisions about the destination of the product: internal market, export or industry. An early fungi infection detection is especially important because a few infected fruits can disseminate the infection to a whole batch, causing great economic losses and affecting to further exports. Ensure products with excellent quality and absolute absence of fungi infections is particularly important in those batches for long conservation or to be exported. The main objective of this work is to detect the fungi infections before they can be visible. Near Infrared spectroscopy has been employed in this work, because it is a non-destructive technique and can be easily implemented on line due to the high speed and simplicity of the process.

  12. Spectral domain detection in low-coherence spectroscopy

    PubMed Central

    Bosschaart, Nienke; Aalders, Maurice C. G.; van Leeuwen, Ton G.; Faber, Dirk J.

    2012-01-01

    Low-coherence spectroscopy (LCS) offers the valuable possibility to measure quantitative and wavelength resolved optical property spectra within a tissue volume of choice that is controllable both in size and in depth. Until now, only time domain detection was investigated for LCS (tdLCS), but spectral domain detection offers a theoretical speed/sensitivity advantage over tdLCS. In this article, we introduce a method for spectral domain detection in LCS (sdLCS), with optimal sensitivity as a function of measurement depth. We validate our method computationally in a simulation and experimentally on a phantom with known optical properties. The attenuation, absorption and scattering coefficient spectra from the phantom that were measured by sdLCS agree well with the expected optical properties and the measured optical properties by tdLCS. PMID:23024918

  13. Terahertz spectroscopy for bacterial detection: opportunities and challenges.

    PubMed

    Yang, Xiang; Yang, Ke; Luo, Yang; Fu, Weiling

    2016-06-01

    The demand for advanced bacterial detection tools is continuously increasing, promoted by its significant benefits in various applications. For instance, in the medical field, these tools would facilitate decision making about more tailored therapies once the infection source has been identified. In the past few years, terahertz (THz = 10(12) Hz) spectroscopy has also shown potential as a novel bacterial detection modality due to its unique advantages. Impressive breakthroughs have been achieved in this field related to bacterial component characterization, spore identification, and cell detection. However, some intrinsic limitations and technical bottlenecks have led to some debates about the practicability of its clinical adoption. In this review, we summarize the progress achieved in this field and discuss some challenges and strategies for future implementation of practical applications. PMID:27131501

  14. Amplification and modelling of bioaffinity detection with terahertz spectroscopy

    NASA Astrophysics Data System (ADS)

    Mickan, Samuel P.; Menikh, Abdellah; Munch, Jesper; Abbott, Derek; Zhang, Xi-Cheng

    2002-11-01

    A new bioaffinity sensor based on pulsed terahertz (THz) spectroscopy is able to sensitively detect the presence of ultra-thin bound biomolecular layers. The protein avidin and lipid biotin are noted for their very high binding affinity, and the ease for which they can be attached to residues with importance in many biosensing applications. We demonstrate the sensitivity of the pulsed THz spectrometer to thin avidin layers and to avidin amplified with micron-sized agarose beads. The experimental results can be simply modelled by considering transmission of the THz radiation at the thin film interfaces. We detect less than 10.3 ng/cm2 avidin, giving the THz system a detection capability of sub-thin solid films better than ellipsometry and reflectometry techniques.

  15. Detection of explosives using THz time domain spectroscopy

    NASA Astrophysics Data System (ADS)

    Châteauneuf, Marc; Dubois, Jacques; Allard, Jean-François; Houde, Daniel; Morris, Denis

    2007-06-01

    Improvised Explosive Devices (IEDs) are a major threat to Canadian and allies troups involved in peacekeeping and minor conflict operations and despite their relative low technology they represent a major challenge in terms of detection and countermeasures. In order to provide tools to detect these threats, Defence Research & Development Canada - Valcartier initiated a research project to the feasibility of using terahertz (THz) radiations to detect and identify the presence of commonly used explosives and concealed weapons in a standoff method. This paper presents the initial results of the first year of the project and the future directions. A compact THz time domain spectroscopy was developed to build a THz signature table of commonly used explosives.

  16. Rapid approach to identify the presence of Arabica and Robusta species in coffee using 1H NMR spectroscopy.

    PubMed

    Monakhova, Yulia B; Ruge, Winfried; Kuballa, Thomas; Ilse, Maren; Winkelmann, Ole; Diehl, Bernd; Thomas, Freddy; Lachenmeier, Dirk W

    2015-09-01

    NMR spectroscopy was used to verify the presence of Arabica and Robusta species in coffee. Lipophilic extracts of authentic roasted and green coffees showed the presence of established markers for Robusta (16-O-methylcafestol (16-OMC)) and for Arabica (kahweol). The integration of the 16-OMC signal (δ 3.165 ppm) was used to estimate the amount of Robusta in coffee blends with an approximate limit of detection of 1-3%. The method was successfully applied for the analysis of 77 commercial coffee samples (coffee pods, coffee capsules, and coffee beans). Furthermore, principal component analysis (PCA) was applied to the spectra of lipophilic and aqueous extracts of 20 monovarietal authentic samples. Clusters of the two species were observed. NMR spectroscopy can be used as a rapid prescreening tool to discriminate Arabica and Robusta coffee species before the confirmation applying the official method.

  17. Rapid approach to identify the presence of Arabica and Robusta species in coffee using 1H NMR spectroscopy.

    PubMed

    Monakhova, Yulia B; Ruge, Winfried; Kuballa, Thomas; Ilse, Maren; Winkelmann, Ole; Diehl, Bernd; Thomas, Freddy; Lachenmeier, Dirk W

    2015-09-01

    NMR spectroscopy was used to verify the presence of Arabica and Robusta species in coffee. Lipophilic extracts of authentic roasted and green coffees showed the presence of established markers for Robusta (16-O-methylcafestol (16-OMC)) and for Arabica (kahweol). The integration of the 16-OMC signal (δ 3.165 ppm) was used to estimate the amount of Robusta in coffee blends with an approximate limit of detection of 1-3%. The method was successfully applied for the analysis of 77 commercial coffee samples (coffee pods, coffee capsules, and coffee beans). Furthermore, principal component analysis (PCA) was applied to the spectra of lipophilic and aqueous extracts of 20 monovarietal authentic samples. Clusters of the two species were observed. NMR spectroscopy can be used as a rapid prescreening tool to discriminate Arabica and Robusta coffee species before the confirmation applying the official method. PMID:25842325

  18. Detection of Campylobacter species using monoclonal antibodies

    NASA Astrophysics Data System (ADS)

    Young, Colin R.; Lee, Alice; Stanker, Larry H.

    1999-01-01

    A panel of species specific monoclonal antibodies were raised to Campylobacter coli, Campylobacter jejuni and Campylobacter lari. The isotypes, and cross-reactivity profiles of each monoclonal antibody against an extensive panel of micro- organisms, were determined.

  19. Quantitative Detection of Combustion Species using Ultra-Violet Diode Lasers

    NASA Technical Reports Server (NTRS)

    Pilgrim, J. S.; Peterson, K. A.

    2001-01-01

    Southwest Sciences is developing a new microgravity combustion diagnostic based on UV diode lasers. The instrument will allow absolute concentration measurements of combustion species on a variety of microgravity combustion platforms including the Space Station. Our approach uses newly available room temperature UV diode lasers, thereby keeping the instrument compact, rugged and energy efficient. The feasibility of the technique was demonstrated by measurement of CH radicals in laboratory flames. Further progress in fabrication technology of UV diode lasers at shorter wavelengths and higher power will result in detection of transient species in the deeper UV. High sensitivity detection of combustion radicals is provided with wavelength modulation absorption spectroscopy.

  20. Novel Nanoparticles for Ultrasensitive Detection and Spectroscopy. Final Report

    SciTech Connect

    Nie, Shuming

    2003-06-23

    The long-term objective of this DOE project was to develop a new class of metal nanoparticles with novel optical properties for ultrasensitive detection and spectroscopy. The specific aims were (1) to prepare and screen colloidal silver and gold nanoparticles with novel optical properties; (2) to characterize the intrinsic size-dependent properties of these nanoparticles and to identify the factors responsible for efficient optical enhancement; (3) to determine the characteristics and origins of intermittent photon emission in single metal particles; and (4) to develop methodologies for enriching these novel particles and for fabricating thin nanoparticle films.

  1. Minute Concentration Measurements of Simple Hydrocarbon Species Using Supercontinuum Laser Absorption Spectroscopy.

    PubMed

    Yoo, Jihyung; Traina, Nicholas; Halloran, Michael; Lee, Tonghun

    2016-06-01

    Minute concentration measurements of simple hydrocarbon gases are demonstrated using near-infrared supercontinuum laser absorption spectroscopy. Absorption-based gas sensors, particularly when combined with optical fiber components, can significantly enhance diagnostic capabilities to unprecedented levels. However, these diagnostic techniques are subject to limitations under certain gas sensing applications where interference and harsh conditions dominate. Supercontinuum laser absorption spectroscopy is a novel laser-based diagnostic technique that can exceed the above-mentioned limitations and provide accurate and quantitative concentration measurement of simple hydrocarbon species while maintaining compatibility with telecommunications-grade optical fiber components. Supercontinuum radiation generated using a highly nonlinear photonic crystal fiber is used to probe rovibrational absorption bands of four hydrocarbon species using full-spectral absorption diagnostics. Absorption spectra of methane (CH4), acetylene (C2H2), and ethylene (C2H4) were measured in the near-infrared spectrum at various pressures and concentrations to determine the accuracy and feasibility of the diagnostic strategy. Absorption spectra of propane (C3H8) were subsequently probed between 1650 nm and 1700 nm, to demonstrate the applicability of the strategy. Measurements agreed very well with simulated spectra generated using the HITRAN database as well as with previous experimental results. Absorption spectra of CH4, C2H2, and C2H4 were then analyzed to determine their respective measurement accuracy and detection limit. Concentration measurements integrated from experimental results were in very good agreement with independent concentration measurements. Calculated detection limits of CH4, C2H2, and C2H4 at room temperature and atmospheric pressure are 0.1%, 0.09%, and 0.17%, respectively. PMID:27091905

  2. Incorporating detectability of threatened species into environmental impact assessment.

    PubMed

    Garrard, Georgia E; Bekessy, Sarah A; McCarthy, Michael A; Wintle, Brendan A

    2015-02-01

    Environmental impact assessment (EIA) is a key mechanism for protecting threatened plant and animal species. Many species are not perfectly detectable and, even when present, may remain undetected during EIA surveys, increasing the risk of site-level loss or extinction of species. Numerous methods now exist for estimating detectability of plants and animals. Despite this, regulations concerning survey protocol and effort during EIAs fail to adequately address issues of detectability. Probability of detection is intrinsically linked to survey effort; thus, minimum survey effort requirements are a useful way to address the risks of false absences. We utilized 2 methods for determining appropriate survey effort requirements during EIA surveys. One method determined the survey effort required to achieve a probability of detection of 0.95 when the species is present. The second method estimated the survey effort required to either detect the species or reduce the probability of presence to 0.05. We applied these methods to Pimelea spinscens subsp. spinescens, a critically endangered grassland plant species in Melbourne, Australia. We detected P. spinescens in only half of the surveys undertaken at sites where it was known to exist. Estimates of the survey effort required to detect the species or demonstrate its absence with any confidence were much higher than the effort traditionally invested in EIA surveys for this species. We argue that minimum survey requirements be established for all species listed under threatened species legislation and hope that our findings will provide an impetus for collecting, compiling, and synthesizing quantitative detectability estimates for a broad range of plant and animal species. PMID:25155009

  3. Monitoring programs need to take into account imperfect species detectability

    USGS Publications Warehouse

    Kery, M.; Schmid, Hans

    2004-01-01

    Biodiversiry monitoring is important to identify biological units in need of conservation and to check the effectiveness of conservation actions. Programs generally monitor species richness and its changes (trend). Usually, no correction is made for imperfect species detectability. Instead, it is assumed that each species present has the same probability of being recorded and that there is no difference in this detectability across space and time, e.g. among observers and habitats. Consequently, species richness is determined by enumeration as the sum of species recorded. In Switzerland, the federal government has recently launched a comprehensive program that aims at detecting changes in biodiversity at all levels of biological integration. Birds are an important part of that program. Since 1999, 23 visits per breeding season are made to each of >250 1 km2 squares to map the territories of all detected breeding bird species. Here, we analyse data from three squares to illustrate the use of capture-recapture models in monitoring to obtain detectability-corrected estimates of species richness and trend. Species detectability averaged only 85%. Hence an estimated 15% of species present remained overlooked even after three visits. Within a square, changes in detectability for different years were of the same magnitude when surveys were conducted by the same observer as when they were by different observers. Estimates of trend were usually biased and community turnover was overestimated when based on enumeration. Here we use bird data as an illustration of methods. However, species detectability for any taxon is unlikely ever to be perfect or even constant across categories to be compared. Therefore, monitoring programs should correct for species detectability.

  4. Standoff detection of explosive molecules using nanosecond gated Raman spectroscopy

    NASA Astrophysics Data System (ADS)

    Chung, Jin Hyuk; Cho, Soo Gyeong

    2013-06-01

    Recently, improvised explosive device (IED) has been a serious threat for many countries. One of the approaches to alleviate this threat is standoff detection of explosive molecules used in IEDs. Raman spectroscopy is a prospective method among many technologies under research to achieve this goal. It provides unique information of the target materials, through which the ingredients used in IEDs can be analyzed and identified. The main problem of standoff Raman spectroscopic detection is the large background noise hindering weak Raman signals from the target samples. Typical background noise comes from both ambient fluorescent lights indoor and sunlight outdoor whose intensities are usually much larger than that of Raman scattering from the sample. Under the proper condition using pulse laser and ICCD camera with nanosecond pulse width and gating technology, we succeed to separate and remove these background noises from Raman signals. For this experiment, we build an optical system for standoff detection of explosive molecules. We use 532 nm, 10 Hz, Q-switching Nd:YAG laser as light source, and ICCD camera triggered by laser Qswitching time with proper gate delay regarding the flight time of Raman from target materials. Our detection system is successfully applied to detect and identify more than 20 ingredients of IEDs including TNT, RDX, and HMX which are located 10 to 54 meters away from the system.

  5. An automatic detection software for differential reflection spectroscopy

    NASA Astrophysics Data System (ADS)

    Yuksel, Seniha Esen; Dubroca, Thierry; Hummel, Rolf E.; Gader, Paul D.

    2012-06-01

    Recent terrorist attacks have sprung a need for a large scale explosive detector. Our group has developed differential reflection spectroscopy which can detect explosive residue on surfaces such as parcel, cargo and luggage. In short, broad band ultra-violet and visible light is shone onto a material (such as a parcel) moving on a conveyor belt. Upon reflection off the surface, the light intensity is recorded with a spectrograph (spectrometer in combination with a CCD camera). This reflected light intensity is then subtracted and normalized with the next data point collected, resulting in differential reflection spectra in the 200-500 nm range. Explosives show spectral finger-prints at specific wavelengths, for example, the spectrum of 2,4,6, trinitrotoluene (TNT) shows an absorption edge at 420 nm. Additionally, we have developed an automated software which detects the characteristic features of explosives. One of the biggest challenges for the algorithm is to reach a practical limit of detection. In this study, we introduce our automatic detection software which is a combination of principal component analysis and support vector machines. Finally we present the sensitivity and selectivity response of our algorithm as a function of the amount of explosive detected on a given surface.

  6. Evaluating species richness: biased ecological inference results from spatial heterogeneity in species detection probabilities

    USGS Publications Warehouse

    McNew, Lance B.; Handel, Colleen M.

    2015-01-01

    Accurate estimates of species richness are necessary to test predictions of ecological theory and evaluate biodiversity for conservation purposes. However, species richness is difficult to measure in the field because some species will almost always be overlooked due to their cryptic nature or the observer's failure to perceive their cues. Common measures of species richness that assume consistent observability across species are inviting because they may require only single counts of species at survey sites. Single-visit estimation methods ignore spatial and temporal variation in species detection probabilities related to survey or site conditions that may confound estimates of species richness. We used simulated and empirical data to evaluate the bias and precision of raw species counts, the limiting forms of jackknife and Chao estimators, and multi-species occupancy models when estimating species richness to evaluate whether the choice of estimator can affect inferences about the relationships between environmental conditions and community size under variable detection processes. Four simulated scenarios with realistic and variable detection processes were considered. Results of simulations indicated that (1) raw species counts were always biased low, (2) single-visit jackknife and Chao estimators were significantly biased regardless of detection process, (3) multispecies occupancy models were more precise and generally less biased than the jackknife and Chao estimators, and (4) spatial heterogeneity resulting from the effects of a site covariate on species detection probabilities had significant impacts on the inferred relationships between species richness and a spatially explicit environmental condition. For a real dataset of bird observations in northwestern Alaska, the four estimation methods produced different estimates of local species richness, which severely affected inferences about the effects of shrubs on local avian richness. Overall, our results

  7. Proximal and point detection of contaminated surfaces using Raman spectroscopy

    NASA Astrophysics Data System (ADS)

    Guicheteau, Jason A.; Christesen, Steven D.; Tripathi, Ashish; Emmons, Erik D.; Wilcox, Phillip G.; Emge, Darren K.; Pardoe, Ian J.; Fountain, Augustus W., III

    2011-11-01

    We are actively investigating the use of Raman spectroscopy for proximal standoff detection of chemicals and explosive materials on surfaces. These studies include Raman Chemical Imaging of contaminated fingerprints for forensic attribution and the assessments of commercial handheld or portable Raman instruments operating with near-infrared (IR) as well as ultraviolet (UV) laser excitation specifically developed for on-the-move reconnaissance of chemical contamination. As part of these efforts, we have measured the Raman cross sections of chemical agents, toxic industrial chemicals, and explosives from the UV to NIR. We have also measured and modeled the effect interrogation angle has on the Raman return from droplets on man-made surfaces. Realistic droplet distributions have been modeled and tested against variations in surface scan patterns and laser spot size for determining the optimum scan characteristics for detection of relevant surface contamination.

  8. Intraoperative brain cancer detection with Raman spectroscopy in humans.

    PubMed

    Jermyn, Michael; Mok, Kelvin; Mercier, Jeanne; Desroches, Joannie; Pichette, Julien; Saint-Arnaud, Karl; Bernstein, Liane; Guiot, Marie-Christine; Petrecca, Kevin; Leblond, Frederic

    2015-02-11

    Cancers are often impossible to visually distinguish from normal tissue. This is critical for brain cancer where residual invasive cancer cells frequently remain after surgery, leading to disease recurrence and a negative impact on overall survival. No preoperative or intraoperative technology exists to identify all cancer cells that have invaded normal brain. To address this problem, we developed a handheld contact Raman spectroscopy probe technique for live, local detection of cancer cells in the human brain. Using this probe intraoperatively, we were able to accurately differentiate normal brain from dense cancer and normal brain invaded by cancer cells, with a sensitivity of 93% and a specificity of 91%. This Raman-based probe enabled detection of the previously undetectable diffusely invasive brain cancer cells at cellular resolution in patients with grade 2 to 4 gliomas. This intraoperative technology may therefore be able to classify cell populations in real time, making it an ideal guide for surgical resection and decision-making.

  9. Sensitive Multi-Species Emissions Monitoring: Infrared Laser-Based Detection of Trace-Level Contaminants.

    SciTech Connect

    Steill, Jeffrey D

    2015-01-01

    This report summarizes our development of spectroscopic chemical analysis techniques and spectral modeling for trace-gas measurements of highly-regulated low-concentration species present in flue gas emissions from utility coal boilers such as HCl under conditions of high humidity. Detailed spectral modeling of the spectroscopy of HCl and other important combustion and atmospheric species such as H 2 O, CO 2 , N 2 O, NO 2 , SO 2 , and CH 4 demonstrates that IR-laser spectroscopy is a sensitive multi-component analysis strategy. Experimental measurements from techniques based on IR laser spectroscopy are presented that demonstrate sub-ppm sensitivity levels to these species. Photoacoustic infrared spectroscopy is used to detect and quantify HCl at ppm levels with extremely high signal-to-noise even under conditions of high relative humidity. Additionally, cavity ring-down IR spectroscopy is used to achieve an extremely high sensitivity to combustion trace gases in this spectral region; ppm level CH 4 is one demonstrated example. The importance of spectral resolution in the sensitivity of a trace-gas measurement is examined by spectral modeling in the mid- and near-IR, and efforts to improve measurement resolution through novel instrument development are described. While previous project reports focused on benefits and complexities of the dual-etalon cavity ring-down infrared spectrometer, here details on steps taken to implement this unique and potentially revolutionary instrument are described. This report also illustrates and critiques the general strategy of IR- laser photodetection of trace gases leading to the conclusion that mid-IR laser spectroscopy techniques provide a promising basis for further instrument development and implementation that will enable cost-effective sensitive detection of multiple key contaminant species simultaneously.

  10. Identification of meat species by using laser-induced breakdown spectroscopy.

    PubMed

    Bilge, Gonca; Velioglu, Hasan Murat; Sezer, Banu; Eseller, Kemal Efe; Boyaci, Ismail Hakki

    2016-09-01

    The aim of the present study is to identify meat species by using laser-induced breakdown spectroscopy (LIBS). Elemental composition differences between meat species were used for meat identification. For this purpose, certain amounts of pork, beef and chicken were collected from different sources and prepared as pellet form for LIBS measurements. The obtained LIBS spectra were evaluated with some chemometric methods, and meat species were qualitatively discriminated with principal component analysis (PCA) method with 83.37% ratio. Pork-beef and chicken-beef meat mixtures were also analyzed with partial least square (PLS) method quantitatively. Determination coefficient (R(2)) and limit of detection (LOD) values were found as 0.994 and 4.4% for pork adulterated beef, and 0.999 and 2.0% for chicken adulterated beef, respectively. In the light of the findings, it was seen that LIBS can be a valuable tool for quality control measurements of meat as a routine method. PMID:27179147

  11. Thz Spectroscopy of Acetaldehyde and Search of 13C Species in Orion

    NASA Astrophysics Data System (ADS)

    Margulès, L.; Motiyenko, R. A.; Ilyushin, V. V.; Tercero, B.; Cernicharo, J.; Guillemin, J.-C.

    2012-06-01

    Acetaldehyde (CH_3CHO) is one of the high priority complex organic molecules for the astrophysical community. There is a lack of data concerning the 13C species since the measurements are limited to 40 GHz up to date. This molecule displays a large amplitude motion: the hindered rotation of the methyl group with respect to the rest of the molecule. The analysis is performed with RAM36 code which used the Rho Axis Method. Last year we presented the analysis of the millimeterwave spectra of the 13CH_3CHO species. We extended the analysis to the THz range of the vibrational ground state for both species. We are also analyzing the first torsional state (≈140 cm-1) for two reasons: first, this permits to remove correlation between parameters. Second, this state contribute to the partition function even at ISM temperature (100--150 K) since there is an influence on the column density determined in case of detection. The searches of these isotopomers are in progress in ORION. This work was supported by the CNES and the Action sur Projets de l'INSU, PCMI. This work was also done under the ANR-08-BLAN-0054. Kilb, R.W.; Lin, C.C.; and Wilson, E.B. J. Chem. Phys. 26, (1957) 1695 Ilyushin, V.V. et al J. Mol. Spectrosc. 259, (2010) 26 Margules, L. et al. FA07, 66th International Symposium on Molecular Spectroscopy (2011)

  12. Species detection and individual assignment in species delimitation: can integrative data increase efficacy?

    PubMed

    Edwards, Danielle L; Knowles, L Lacey

    2014-02-22

    Statistical species delimitation usually relies on singular data, primarily genetic, for detecting putative species and individual assignment to putative species. Given the variety of speciation mechanisms, singular data may not adequately represent the genetic, morphological and ecological diversity relevant to species delimitation. We describe a methodological framework combining multivariate and clustering techniques that uses genetic, morphological and ecological data to detect and assign individuals to putative species. Our approach recovers a similar number of species recognized using traditional, qualitative taxonomic approaches that are not detected when using purely genetic methods. Furthermore, our approach detects groupings that traditional, qualitative taxonomic approaches do not. This empirical test suggests that our approach to detecting and assigning individuals to putative species could be useful in species delimitation despite varying levels of differentiation across genetic, phenotypic and ecological axes. This work highlights a critical, and often overlooked, aspect of the process of statistical species delimitation-species detection and individual assignment. Irrespective of the species delimitation approach used, all downstream processing relies on how individuals are initially assigned, and the practices and statistical issues surrounding individual assignment warrant careful consideration.

  13. [Identification of Microalgae Species Using Visible/Near Infrared Transmission Spectroscopy].

    PubMed

    Zhu, Hong-yan; Shao, Yong-ni; Jiang, Lu-lu; Guo, An-que; Pan, Jian; He, Yong

    2016-01-01

    At present, the identification and classification of the microalgae and its biochemical analysis have become one of the hot spots on marine biology research. Four microalgae species, including Chlorella vulgaris, Chlorella pyrenoidosa, Nannochloropsis oculata, Chlamydomonas reinhardtii, were chosen as the experimental materials. Using an established spectral acquisition system, which consists of a portable USB 4000 spectrometer having transmitting and receiving fiber bundles connected by a fiber optic probe, a halogen light source, and a computer, the Vis/NIR transmission spectral data of 120 different samples of the microalgae with different concentration gradients were collected, and the spectral curves of fourmicroalgae species were pre-processed by different pre-treatment methods (baseline filtering, convolution smoothing, etc. ). Based on the pre-treated effects, SPA was applied to select effective wavelengths (EWs), and the selected EWs were introduced as inputs to develop and compare PLS, Least Square Support Vector Machines (LS-SVM), Extreme Learning Machine (ELM)models, so as to explore the feasibility of using Vis/NIR transmission spectroscopy technology for the rapid identification of four microalgae species in situ. The results showed that: the effect of Savitzky-Golay smoothing was much better than the other pre-treatment methods. Six EWs selected in the spectraby SPA were possibly relevant to the content of carotenoids, chlorophyll in the microalgae. Moreover, the SPA-PLS model obtained better performance than the Full-Spectral-PLS model. The average prediction accuracy of three methods including SPA-LV-SVM, SPA-ELM, and SPA-PLS were 80%, 85% and 65%. The established method in this study may identify four microalgae species effectively, which provides a new way for the identification and classification of the microalgae species. The methodology using Vis/NIR spectroscopy with a portable optic probe would be applicable to a diverse range of microalgae

  14. Estimating species richness and accumulation by modeling species occurrence and detectability

    USGS Publications Warehouse

    Dorazio, R.M.; Royle, J. Andrew; Soderstrom, B.; Glimskarc, A.

    2006-01-01

    A statistical model is developed for estimating species richness and accumulation by formulating these community-level attributes as functions of model-based estimators of species occurrence while accounting for imperfect detection of individual species. The model requires a sampling protocol wherein repeated observations are made at a collection of sample locations selected to be representative of the community. This temporal replication provides the data needed to resolve the ambiguity between species absence and nondetection when species are unobserved at sample locations. Estimates of species richness and accumulation are computed for two communities, an avian community and a butterfly community. Our model-based estimates suggest that detection failures in many bird species were attributed to low rates of occurrence, as opposed to simply low rates of detection. We estimate that the avian community contains a substantial number of uncommon species and that species richness greatly exceeds the number of species actually observed in the sample. In fact, predictions of species accumulation suggest that even doubling the number of sample locations would not have revealed all of the species in the community. In contrast, our analysis of the butterfly community suggests that many species are relatively common and that the estimated richness of species in the community is nearly equal to the number of species actually detected in the sample. Our predictions of species accumulation suggest that the number of sample locations actually used in the butterfly survey could have been cut in half and the asymptotic richness of species still would have been attained. Our approach of developing occurrence-based summaries of communities while allowing for imperfect detection of species is broadly applicable and should prove useful in the design and analysis of surveys of biodiversity.

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

    NASA Astrophysics Data System (ADS)

    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.

  16. Can hyperspectral remote sensing detect species specific biochemicals?

    Technology Transfer Automated Retrieval System (TEKTRAN)

    Discrimination of a few plants scattered among many plants is a goal common to detection of agricultural weeds and invasive species. Detection of clandestinely grown Cannabis sativa L. is in many ways a special case of weed detection. Remote sensing technology provides an automated, computer based,...

  17. Detecting diversity: emerging methods to estimate species diversity.

    PubMed

    Iknayan, Kelly J; Tingley, Morgan W; Furnas, Brett J; Beissinger, Steven R

    2014-02-01

    Estimates of species richness and diversity are central to community and macroecology and are frequently used in conservation planning. Commonly used diversity metrics account for undetected species primarily by controlling for sampling effort. Yet the probability of detecting an individual can vary among species, observers, survey methods, and sites. We review emerging methods to estimate alpha, beta, gamma, and metacommunity diversity through hierarchical multispecies occupancy models (MSOMs) and multispecies abundance models (MSAMs) that explicitly incorporate observation error in the detection process for species or individuals. We examine advantages, limitations, and assumptions of these detection-based hierarchical models for estimating species diversity. Accounting for imperfect detection using these approaches has influenced conclusions of comparative community studies and creates new opportunities for testing theory. PMID:24315534

  18. CURRENT METHODS FOR DETECTION OF CRYPTOSPORIDIUM SPECIES

    EPA Science Inventory

    Current methods for detecting protozoa in water produce results that are highly variable. It is difficult to determine if the methods themselves, or the procedures for testing these methods, are the source of the variability. If testing procedures are responsible for high varia...

  19. Species of Redundancy in Visual Target Detection

    ERIC Educational Resources Information Center

    Ben-David, Boaz M.; Algom, Daniel

    2009-01-01

    We report a series of investigations into the effects of common names, physical identity, and physical similarity on visual detection time. The effect of these factors on the capacity of the system processing the signals was also examined. We used a redundant targets design with separate testing of the target-distractor (single target),…

  20. Fully Automated Lipid Pool Detection Using Near Infrared Spectroscopy.

    PubMed

    Pociask, Elżbieta; Jaworek-Korjakowska, Joanna; Malinowski, Krzysztof Piotr; Roleder, Tomasz; Wojakowski, Wojciech

    2016-01-01

    Background. Detecting and identifying vulnerable plaque, which is prone to rupture, is still a challenge for cardiologist. Such lipid core-containing plaque is still not identifiable by everyday angiography, thus triggering the need to develop a new tool where NIRS-IVUS can visualize plaque characterization in terms of its chemical and morphologic characteristic. The new tool can lead to the development of new methods of interpreting the newly obtained data. In this study, the algorithm to fully automated lipid pool detection on NIRS images is proposed. Method. Designed algorithm is divided into four stages: preprocessing (image enhancement), segmentation of artifacts, detection of lipid areas, and calculation of Lipid Core Burden Index. Results. A total of 31 NIRS chemograms were analyzed by two methods. The metrics, total LCBI, maximal LCBI in 4 mm blocks, and maximal LCBI in 2 mm blocks, were calculated to compare presented algorithm with commercial available system. Both intraclass correlation (ICC) and Bland-Altman plots showed good agreement and correlation between used methods. Conclusions. Proposed algorithm is fully automated lipid pool detection on near infrared spectroscopy images. It is a tool developed for offline data analysis, which could be easily augmented for newer functions and projects. PMID:27610191

  1. Fully Automated Lipid Pool Detection Using Near Infrared Spectroscopy

    PubMed Central

    Wojakowski, Wojciech

    2016-01-01

    Background. Detecting and identifying vulnerable plaque, which is prone to rupture, is still a challenge for cardiologist. Such lipid core-containing plaque is still not identifiable by everyday angiography, thus triggering the need to develop a new tool where NIRS-IVUS can visualize plaque characterization in terms of its chemical and morphologic characteristic. The new tool can lead to the development of new methods of interpreting the newly obtained data. In this study, the algorithm to fully automated lipid pool detection on NIRS images is proposed. Method. Designed algorithm is divided into four stages: preprocessing (image enhancement), segmentation of artifacts, detection of lipid areas, and calculation of Lipid Core Burden Index. Results. A total of 31 NIRS chemograms were analyzed by two methods. The metrics, total LCBI, maximal LCBI in 4 mm blocks, and maximal LCBI in 2 mm blocks, were calculated to compare presented algorithm with commercial available system. Both intraclass correlation (ICC) and Bland-Altman plots showed good agreement and correlation between used methods. Conclusions. Proposed algorithm is fully automated lipid pool detection on near infrared spectroscopy images. It is a tool developed for offline data analysis, which could be easily augmented for newer functions and projects. PMID:27610191

  2. Fully Automated Lipid Pool Detection Using Near Infrared Spectroscopy

    PubMed Central

    Wojakowski, Wojciech

    2016-01-01

    Background. Detecting and identifying vulnerable plaque, which is prone to rupture, is still a challenge for cardiologist. Such lipid core-containing plaque is still not identifiable by everyday angiography, thus triggering the need to develop a new tool where NIRS-IVUS can visualize plaque characterization in terms of its chemical and morphologic characteristic. The new tool can lead to the development of new methods of interpreting the newly obtained data. In this study, the algorithm to fully automated lipid pool detection on NIRS images is proposed. Method. Designed algorithm is divided into four stages: preprocessing (image enhancement), segmentation of artifacts, detection of lipid areas, and calculation of Lipid Core Burden Index. Results. A total of 31 NIRS chemograms were analyzed by two methods. The metrics, total LCBI, maximal LCBI in 4 mm blocks, and maximal LCBI in 2 mm blocks, were calculated to compare presented algorithm with commercial available system. Both intraclass correlation (ICC) and Bland-Altman plots showed good agreement and correlation between used methods. Conclusions. Proposed algorithm is fully automated lipid pool detection on near infrared spectroscopy images. It is a tool developed for offline data analysis, which could be easily augmented for newer functions and projects.

  3. High sensitivity and label-free detection of Enterovirus 71 by nanogold modified electrochemical impedance spectroscopy

    NASA Astrophysics Data System (ADS)

    Wang, Fang-Yu; Li, Hsing-Yuan; Tseng, Shing-Hua; Cheng, Tsai-Mu; Chu, Hsueh-Liang; Yang, Jyh-Yuan; Chang, Chia-Ching

    2013-03-01

    Enterovirus 71 (EV71), which is the most fulminant and invasive species of enterovirus, can cause children neurologic complications and death within 2-3 days after fever and rash developed. Besides, EV71 has high sequence similarity with Coxsackie A 16 (CA16) that makes differential diagnosis difficult in clinic and laboratory. Since conventional viral diagnostic method cannot diagnose EV71 quickly and EV71 can transmit at low viral titer, the patients might delay in treatment. A quick, high sensitive, and high specific test for EV71 detection is pivotal. Electrochemical impedance spectroscopy (EIS) has been applied for detecting bio-molecules as biosensors recently. In this study, we try to build a detection platform for EV71 detection by nanogold modified EIS probe. The result shows that our probe can detect 3.6 VP1/50 μl (one EV71 particle has 60 VP1) in 3 minutes. The test can also distinguish EV71 from CA16 and lysozyme. Diagnosis of enterovirus 71 by electrochemical impedance spectroscopy has the potential to apply in clinic.

  4. In-situ identification of meat from different animal species by shifted excitation Raman difference spectroscopy

    NASA Astrophysics Data System (ADS)

    Sowoidnich, Kay; Kronfeldt, Heinz-Detlef

    2012-05-01

    The identification of food products and the detection of adulteration are of global interest for food safety and quality control. We present a non-invasive in-situ approach for the differentiation of meat from selected animal species using microsystem diode laser based shifted excitation Raman difference spectroscopy (SERDS) at 671 nm and 785 nm. In that way, the fingerprint Raman spectra can be used for identification without a disturbing fluorescence background masking Raman signals often occurring in the investigation of biological samples. Two miniaturized SERDS measurement heads including the diode laser and all optical elements are fiber-optically coupled to compact laboratory spectrometers. To realize two slightly shifted excitation wavelengths necessary for SERDS the 671 nm laser (spectral shift: 0.7 nm, optical power: 50 mW) comprises two separate laser cavities each with a volume Bragg grating for frequency selection whereas the 785 nm light source (spectral shift: 0.5 nm, optical power: 110 mW) is a distributed feedback laser. For our investigations we chose the most consumed meat types in the US and Europe, i.e. chicken and turkey as white meat as well as pork and beef as red meat species. The applied optical powers were sufficient to detect meat Raman spectra with integration times of 10 seconds pointing out the ability for a rapid discrimination of meat samples. Principal components analysis was applied to the SERDS spectra to reveal spectral differences between the animals suitable for their identification. The results will be discussed with respect to specific characteristics of the analyzed meat species.

  5. Supercontinuum spatial modulation spectroscopy: Detection and noise limitations

    SciTech Connect

    McDonald, M. P.; Vietmeyer, F.; Kuno, M.; Aleksiuk, D.

    2013-11-15

    Supercontinuum spatial modulation spectroscopy is a facile tool for conducting single molecule/particle extinction spectroscopy throughout the visible and near infrared (420–1100 nm). The technique's capabilities are benchmarked using individual Au nanoparticles (NPs) as a standard since they are well studied and display a prominent plasmon resonance in the visible. Extinction spectra of individual Au NPs with diameters (d) ranging from d ∼ 8 to 40 nm are resolved with extinction cross sections (σ{sub ext}) of σ{sub ext} ∼1 × 10{sup −13}–1 ×10{sup −11} cm{sup 2}. Corresponding signal-to-noise ratios range from ∼30 to ∼1400. The technique's limit of detection is determined to be 4.3 × 10{sup −14} cm{sup 2} (4.3 nm{sup 2}). To showcase supercontinuum spatial modulation spectroscopy's broader applicability, extinction spectra are acquired for other model systems, such as individual single-walled carbon nanotubes (SWCNTs) and CdSe nanowires. We show for the first time extinction spectra of individual (8,3) and (6,5) SWCNTs. For both chiralities, their E{sub 11} [(8,3) 1.30 eV (952 nm); (6,5) 1.26 eV (986 nm)] and E{sub 22} [(8,3) 1.86 eV (667 nm); (6,5) 2.19 eV (567 nm)] excitonic resonances are seen with corresponding cross sections of σ{sub ext} ∼ 10{sup −13} cm{sup 2} μm{sup −1}.

  6. Faraday rotation echo spectroscopy and detection of quantum fluctuations.

    PubMed

    Chen, Shao-Wen; Liu, Ren-Bao

    2014-04-15

    Central spin decoherence is useful for detecting many-body physics in environments and moreover, the spin echo control can remove the effects of static thermal fluctuations so that the quantum fluctuations are revealed. The central spin decoherence approach, however, is feasible only in some special configurations and often requires uniform coupling between the central spin and individual spins in the baths, which are very challenging in experiments. Here, by making analogue between central spin decoherence and depolarization of photons, we propose a scheme of Faraday rotation echo spectroscopy (FRES) for studying quantum fluctuations in interacting spin systems. The echo control of the photon polarization is realized by flipping the polarization with a birefringence crystal. The FRES, similar to spin echo in magnetic resonance spectroscopy, can suppress the effects of the static magnetic fluctuations and therefore reveal dynamical magnetic fluctuations. We apply the scheme to a rare-earth compound LiHoF4 and calculate the echo signal, which is related to the quantum fluctuations of the system. We observe enhanced signals at the phase boundary. The FRES should be useful for studying quantum fluctuations in a broad range of spin systems, including cold atoms, quantum dots, solid-state impurities, and transparent magnetic materials.

  7. Novel micro-calorimetric spectroscopy for mine detection

    SciTech Connect

    Datskos, P.G. |; Rajic, S.; Egert, C.M.; Datskou, I.

    1998-03-01

    The authors have developed a novel micro-calorimetric spectroscopy technique that can be used in mine detection applications. In this technique target molecules are allowed to adsorb on the surface of sub-femtojoule sensitive micromechanical thermal detectors. The adsorption of molecules on the thermal detector surface causes a differential surface stress resulting in an initial trigger. By exposing each element in an array of thermal detectors to different photon wavelengths, an extremely sensitive and unique photothermal signature response can be obtained. The authors present their results on target chemicals adsorbed on the detector surface at sub-monolayer coverage levels. They will present infrared photothermal spectra for trace concentrations of diisopropyl methylphosphonate (DIMP), and trinitrotoluene (TNT) over the wavelength region 2.5 to 14.5 microns. They found that in the wavelength region 2.5 to 14.5 microns the photothermal spectra of DIMP and TNT exhibit a number of peaks and are in excellent agreement with infrared absorption spectra found in the literature. Chemical detectors based on micro-calorimetric spectroscopy can be used to sensitively sense small number of molecules adsorbed on a thermal detector surface. The photothermal signature resulting from photon irradiation can be used for improved chemical characterization.

  8. Faraday rotation echo spectroscopy and detection of quantum fluctuations.

    PubMed

    Chen, Shao-Wen; Liu, Ren-Bao

    2014-01-01

    Central spin decoherence is useful for detecting many-body physics in environments and moreover, the spin echo control can remove the effects of static thermal fluctuations so that the quantum fluctuations are revealed. The central spin decoherence approach, however, is feasible only in some special configurations and often requires uniform coupling between the central spin and individual spins in the baths, which are very challenging in experiments. Here, by making analogue between central spin decoherence and depolarization of photons, we propose a scheme of Faraday rotation echo spectroscopy (FRES) for studying quantum fluctuations in interacting spin systems. The echo control of the photon polarization is realized by flipping the polarization with a birefringence crystal. The FRES, similar to spin echo in magnetic resonance spectroscopy, can suppress the effects of the static magnetic fluctuations and therefore reveal dynamical magnetic fluctuations. We apply the scheme to a rare-earth compound LiHoF4 and calculate the echo signal, which is related to the quantum fluctuations of the system. We observe enhanced signals at the phase boundary. The FRES should be useful for studying quantum fluctuations in a broad range of spin systems, including cold atoms, quantum dots, solid-state impurities, and transparent magnetic materials. PMID:24733086

  9. Broadband infrared imaging spectroscopy for standoff detection of trace explosives

    NASA Astrophysics Data System (ADS)

    Kendziora, Christopher A.; Furstenberg, Robert; Papantonakis, Michael; Nguyen, Viet; McGill, R. Andrew

    2016-05-01

    This manuscript describes advancements toward a mobile platform for standoff detection of trace explosives on relevant substrates using broadband infrared spectroscopic imaging. In conjunction with this, we are developing a technology for detection based on photo-thermal infrared (IR) imaging spectroscopy (PT-IRIS). PT-IRIS leverages one or more IR quantum cascade lasers (QCL), tuned to strong absorption bands in the analytes and directed to illuminate an area on a surface of interest. An IR focal plane array is used to image the surface thermal emission upon laser illumination. The PT-IRIS signal is processed as a hyperspectral image cube comprised of spatial, spectral and temporal dimensions as vectors within a detection algorithm. Here we describe methods to increase both sensitivity to trace explosives and selectivity between different analyte types by exploiting a broader spectral range than in previous configurations. Previously we demonstrated PT-IRIS at several meters of standoff distance indoors and in field tests, while operating the lasers below the infrared eye-safe intensity limit (100 mW/cm2). Sensitivity to explosive traces as small as a single 10 μm diameter particle (~1 ng) has been demonstrated.

  10. Detection of 1,5-Anhydroglucitol by Electrochemical Impedance Spectroscopy

    PubMed Central

    Adamson, Teagan L.; Cook, Curtiss B.

    2014-01-01

    Multiple markers are used to assess glycemic control in patients with diabetes mellitus (DM). New technology that permits simultaneous detection of multiple biomarkers combined with those used at the point of care indicative of glycemic control, including glycemic variability determined from 1,5-anhydroglucitol measurement, could provide better management and further insight into the disease. This platform was based on previous research involving glucose detection and uses electrochemical impedance spectroscopy to detect a range of 1,5-anhydroglucitol concentrations at an optimal binding frequency. The enzyme pyranose oxidase was fixed to gold electrodes while a sine wave of sweeping frequencies was induced in purified solutions and in variable presence of whole blood. The optimal binding frequency for the detection of 1,5-anhydroglucitol was found to be 3.71 kHz. The impedance response compared to the concentration of target present was found to have a logarithmic slope of 7.04 with an R-squared value of 0.96. This response includes 2 experimental sets, a single test of a low concentration range and a high concentration range with 5 replicates. The relative standard deviation of the high range varied from 28% to 27% from lowest to highest concentrations. Best detection in complex solutions was found in lower blood concentrations of 0.5% and 1%, but maintained relatively high accuracy in concentrations 5% and 10%. The sensor platform was successfully evaluated at a high dynamic range of 1,5-AG in purified solutions. In the presence of whole blood, lowest percentages yielded the best results indicating that filtering interferents may be necessary in final device architecture. PMID:24876587

  11. Photoacoustic spectroscopy for trace vapor detection and standoff detection of explosives

    NASA Astrophysics Data System (ADS)

    Holthoff, Ellen L.; Marcus, Logan S.; Pellegrino, Paul M.

    2016-05-01

    The Army is investigating several spectroscopic techniques (e.g., infrared spectroscopy) that could allow for an adaptable sensor platform. Current sensor technologies, although reasonably sized, are geared to more classical chemical threats, and the ability to expand their capabilities to a broader range of emerging threats is uncertain. Recently, photoacoustic spectroscopy (PAS), employed in a sensor format, has shown enormous potential to address these ever-changing threats. PAS is one of the more flexible IR spectroscopy variants, and that flexibility allows for the construction of sensors that are designed for specific tasks. PAS is well suited for trace detection of gaseous and condensed media. Recent research has employed quantum cascade lasers (QCLs) in combination with MEMS-scale photoacoustic cell designs. The continuous tuning capability of QCLs over a broad wavelength range in the mid-infrared spectral region greatly expands the number of compounds that can be identified. We will discuss our continuing evaluation of QCL technology as it matures in relation to our ultimate goal of a universal compact chemical sensor platform. Finally, expanding on our previously reported photoacoustic detection of condensed phase samples, we are investigating standoff photoacoustic chemical detection of these materials. We will discuss the evaluation of a PAS sensor that has been designed around increasing operator safety during detection and identification of explosive materials by performing sensing operations at a standoff distance. We investigate a standoff variant of PAS based upon an interferometric sensor by examining the characteristic absorption spectra of explosive hazards collected at 1 m.

  12. Detecting counterfeit antimalarial tablets by near-infrared spectroscopy.

    PubMed

    Dowell, Floyd E; Maghirang, Elizabeth B; Fernandez, Facundo M; Newton, Paul N; Green, Michael D

    2008-11-01

    Counterfeit antimalarial drugs are found in many developing countries, but it is challenging to differentiate between genuine and fakes due to their increasing sophistication. Near-infrared spectroscopy (NIRS) is a powerful tool in pharmaceutical forensics, and we tested this technique for discriminating between counterfeit and genuine artesunate antimalarial tablets. Using NIRS, we found that artesunate tablets could be identified as genuine or counterfeit with high accuracy. Multivariate classification models indicated that this discriminatory ability was based, at least partly, on the presence or absence of spectral signatures related to artesunate. This technique can be field-portable and requires little training after calibrations are developed, thus showing great promise for rapid and accurate fake detection. PMID:18703302

  13. Millimeter Wave Spectroscopy for Breast Cancer Diagnostics and Detection

    NASA Astrophysics Data System (ADS)

    Korolev, Konstantin; Chen, Shu; Afsar, Mohammed; Naber, Stephen

    2009-03-01

    Broad-band millimeter wave transmittance measurements of normal and tumorous (cancerous) human breast tissue samples have been acquired in--vitro by employing a free-space, quasi-optical spectrometer. Freshly excised breast tissues were prepared and preserved in 10% neutral-buffered formalin solution before testing. Significant differences in the transmittance profiles have been found between the normal and tumorous tissues. It has been found that despite the inhomogeneity and variable structure and composition of each single tissue, the tumorous specimens consistently manifest much higher absorption level of millimeter wave radiation than the normal ones. It has been shown that free space, quasi-optical spectrometer is capable of contributing valuable insights into the dielectric properties of normal and tumorous human breast tissues and aiding in further developments of millimeter wave spectroscopy and mammography for the breast cancer diagnostics and detection.

  14. Molecular Structure and Chirality Detection by Fourier Transform Microwave Spectroscopy.

    PubMed

    Lobsiger, Simon; Perez, Cristobal; Evangelisti, Luca; Lehmann, Kevin K; Pate, Brooks H

    2015-01-01

    We describe a three-wave mixing experiment using time-separated microwave pulses to detect the enantiomer-specific emission signal of the chiral molecule using Fourier transform microwave (FTMW) spectroscopy. A chirped-pulse FTMW spectrometer operating in the 2-8 GHz frequency range is used to determine the heavy-atom substitution structure of solketal (2,2-dimethyl-1,3-dioxolan-4-yl-methanol) through analysis of the singly substituted (13)C and (18)O isotopologue rotational spectra in natural abundance. A second set of microwave horn antennas is added to the instrument design to permit three-wave mixing experiments where an enantiomer-specific phase of the signal is observed. Using samples of R-, S-, and racemic solketal, the properties of the three-wave mixing experiment are presented, including the measurement of the corresponding nutation curves to demonstrate the optimal pulse sequence.

  15. Accounting for Incomplete Species Detection in Fish Community Monitoring

    SciTech Connect

    McManamay, Ryan A; Orth, Dr. Donald J; Jager, Yetta

    2013-01-01

    Riverine fish assemblages are heterogeneous and very difficult to characterize with a one-size-fits-all approach to sampling. Furthermore, detecting changes in fish assemblages over time requires accounting for variation in sampling designs. We present a modeling approach that permits heterogeneous sampling by accounting for site and sampling covariates (including method) in a model-based framework for estimation (versus a sampling-based framework). We snorkeled during three surveys and electrofished during a single survey in suite of delineated habitats stratified by reach types. We developed single-species occupancy models to determine covariates influencing patch occupancy and species detection probabilities whereas community occupancy models estimated species richness in light of incomplete detections. For most species, information-theoretic criteria showed higher support for models that included patch size and reach as covariates of occupancy. In addition, models including patch size and sampling method as covariates of detection probabilities also had higher support. Detection probability estimates for snorkeling surveys were higher for larger non-benthic species whereas electrofishing was more effective at detecting smaller benthic species. The number of sites and sampling occasions required to accurately estimate occupancy varied among fish species. For rare benthic species, our results suggested that higher number of occasions, and especially the addition of electrofishing, may be required to improve detection probabilities and obtain accurate occupancy estimates. Community models suggested that richness was 41% higher than the number of species actually observed and the addition of an electrofishing survey increased estimated richness by 13%. These results can be useful to future fish assemblage monitoring efforts by informing sampling designs, such as site selection (e.g. stratifying based on patch size) and determining effort required (e.g. number of

  16. [Application of gene detection technology in food species identification].

    PubMed

    Chen, Ying; Wu, Yajun

    2011-07-01

    It is critical to determine the biological identity of all ingredients in food to ensure its safety and quality. Modern gene detection technology makes species identification in food more accurate, sensitive and rapid. A comprehensive review on its current applications in the last decade and the future perspective in food species identification is presented, including a brief introduction of gene detection methods, and their applications in plant-originated food, animal-originated food, high value-added food and highly processed food.

  17. Quantitative detection of nitrate in water and wastewater by surface-enhanced Raman spectroscopy.

    PubMed

    Gajaraj, Shashikanth; Fan, Cui; Lin, Mengshi; Hu, Zhiqiang

    2013-07-01

    The presence of inorganic nitrogen species in water can be unsuitable for drinking and detrimental to the environment. In this study, a surface-enhanced Raman spectroscopy (SERS) method coupled with a commercially available gold nanosubstrate (a gold-coated silicon material) was evaluated for the detection of nitrate and nitrite in water and wastewater. Applications of SERS coupled with gold nanosubstrates resulted in an enhancement of Raman signals by a factor of ∼10(4) compared to that from Raman spectroscopy. The new method was able to detect nitrate with linear ranges of 1-10,000 mg NO3(-)/L (R(2)= 0.978) and 1-100 mg NO3(-)/L (R(2)= 0.919) for water and wastewater samples, respectively. Among the common anions, phosphate appeared to be the major interfering anion affecting nitrate measurement. Nevertheless, the percentage error of nitrate measurement in wastewater by the proposed SERS method was comparable to that by ion chromatography. The nitrate detection limits in water and wastewater samples were about 0.5 mg/L. The SERS method could simultaneously detect sulfate, which may serve as a reference standard in water. These results suggested that the SERS coupled with nanosubstrates is a promising method to determine nitrate concentrations in water and wastewater.

  18. Development of an Early Warning Fire Detection System using Correlation Spectroscopy

    NASA Technical Reports Server (NTRS)

    Goswami, K.; Voevodkin, G.; Rubstov, V.; Lieberman, R.; Piltch, N.

    2001-01-01

    Combustion byproducts are numerous. A few examples of the gaseous byproducts include carbon dioxide, carbon monoxide, hydrogen chloride, hydrogen cyanide and ammonia. For detecting these chemical species, classic absorption spectroscopy has been used for many decades, but the sensitivity of steady-state methods is often unsuitable for the detection of trace compounds at the low levels (parts per million to parts per billion) appropriate for scientific purposes. This is particularly so for monitoring equipment, which must be compact and cost-effective, and which is often subjected to shock, vibration, and other environmental effects that can severely degrade the performance of high-sensitivity spectrometers in an aircraft. Steady-state techniques also suffer from a lack of specificity; the deconvolution of the spectra of complex mixtures is a laborious and error prone process. These problems are exacerbated in remote fiber-optic monitoring where, for practical reasons, the fundamental absorbance region of the spectrum (often between 3 and 8 microns) is inaccessible, and the low-strength, closely spaced, near-infrared overtone absorbance bands must be used. We circumvented these challenges by employing correlation spectroscopy, a variation of modulation spectroscopy.

  19. Sensitive detection of weak absorption signals in photoacoustic spectroscopy by using derivative spectroscopy and wavelet transform

    NASA Astrophysics Data System (ADS)

    Zheng, Jincun; Tang, Zhilie; He, Yongheng; Guo, Lina

    2008-05-01

    This report presents a practical analytical method of photoacoustic (PA) spectroscopy that is based on wavelet transform (WT) and the first-derivative PA spectrum. An experimental setup is specially designed to obtain the first-derivative spectrum, which aims to identify some unnoticeable absorption peaks in the normal PA spectrum. To enhance the detectability of overlapping spectral bands, the WT is used to decompose the PA spectrum signals into a series of localized contributions (details and approximation) on the basis of the frequency. For the decomposed contributions do not change the absorption peak position of PA spectrum, one can retrieve the weak absorption signals by the decomposed result of WT. Because of the use of derivative spectroscopy and WT, three unnoticeable absorption peaks that are hidden in the PA spectrum of carbon absorption are precisely retrieved, the wavelengths of which are 699.7, 752.7, and 775.5nm, respectively. This analytical method, which has the virtue of using a physical method and using a computer software method, can achieve great sensitivity and accuracy for PA spectral analysis.

  20. Detection of Nepovirus Vector and Nonvector Xiphinema Species in Grapevine.

    PubMed

    Van Ghelder, C; Reid, A; Kenyon, D; Esmenjaud, D

    2015-01-01

    Fanleaf degeneration is considered the most damaging viral disease of grapevine. The two major nepoviruses involved are Grapevine fanleaf virus (GFLV) and Arabis mosaic virus (ArMV) which are respectively and specifically transmitted by the dagger nematodes Xiphinema index and X. diversicaudatum. The methods described below are aimed at detecting four prevalent grapevine Xiphinema species: the vector species previously mentioned and two nonvector species X. vuittenezi and X. italiae.

  1. Root discrimination of closely related crop and weed species using FT MIR-ATR spectroscopy.

    PubMed

    Meinen, Catharina; Rauber, Rolf

    2015-01-01

    Root discrimination of species is a pre-condition for studying belowground competition processes between crop and weed species. In this experiment, we tested Fourier transform mid-infrared (FT MIR)-attenuated total reflection (ATR) spectroscopy to discriminate roots of closely related crop and weed species grown in the greenhouse: maize/barnyard grass, barley/wild oat, wheat/blackgrass (Poaceae), and sugar beet/common lambsquarters (Chenopodiaceae). Fresh (moist) and dried root segments as well as ground roots were analyzed by FT MIR-ATR spectroscopy. Root absorption spectra showed species specific peak distribution and peak height. A clear separation according to species was not possible with fresh root segments. Dried root segments (including root basis, middle section, and root tip) of maize/barnyard grass and sugar beet/common lambsquarters formed completely separated species clusters. Wheat and blackgrass separated in species specific clusters when root tips were removed from cluster analysis. A clear separation of dried root segments according to species was not possible in the case of barley and wild oat. Cluster analyses of ground roots revealed a 100% separation of all tested crop and weed species combinations. Spectra grouped in Poaceae and Chenopodiaceae clusters. Within the Poaceae cluster, C3 and C4 species differed significantly in heterogeneity. Thus, root spectra reflected the degree of kinship. To quantify species proportion in root mixtures, a two- and a three-species model for species quantification in root mixtures of maize, barnyard grass, and wild oat was calculated. The models showed low standard errors of prediction (RMSEP) and high residual predictive deviation values in an external test set validation. Hence, FT MIR-ATR spectroscopy seems to be a promising tool for root research even between closely related plant species. PMID:26483799

  2. Root discrimination of closely related crop and weed species using FT MIR-ATR spectroscopy

    PubMed Central

    Meinen, Catharina; Rauber, Rolf

    2015-01-01

    Root discrimination of species is a pre-condition for studying belowground competition processes between crop and weed species. In this experiment, we tested Fourier transform mid-infrared (FT MIR)-attenuated total reflection (ATR) spectroscopy to discriminate roots of closely related crop and weed species grown in the greenhouse: maize/barnyard grass, barley/wild oat, wheat/blackgrass (Poaceae), and sugar beet/common lambsquarters (Chenopodiaceae). Fresh (moist) and dried root segments as well as ground roots were analyzed by FT MIR-ATR spectroscopy. Root absorption spectra showed species specific peak distribution and peak height. A clear separation according to species was not possible with fresh root segments. Dried root segments (including root basis, middle section, and root tip) of maize/barnyard grass and sugar beet/common lambsquarters formed completely separated species clusters. Wheat and blackgrass separated in species specific clusters when root tips were removed from cluster analysis. A clear separation of dried root segments according to species was not possible in the case of barley and wild oat. Cluster analyses of ground roots revealed a 100% separation of all tested crop and weed species combinations. Spectra grouped in Poaceae and Chenopodiaceae clusters. Within the Poaceae cluster, C3 and C4 species differed significantly in heterogeneity. Thus, root spectra reflected the degree of kinship. To quantify species proportion in root mixtures, a two- and a three-species model for species quantification in root mixtures of maize, barnyard grass, and wild oat was calculated. The models showed low standard errors of prediction (RMSEP) and high residual predictive deviation values in an external test set validation. Hence, FT MIR-ATR spectroscopy seems to be a promising tool for root research even between closely related plant species. PMID:26483799

  3. Explosives detection studies using Fast-Neutron Transmission Spectroscopy

    SciTech Connect

    Fink, C.L.; Micklich, B.J.; Sagalovsky, L.; Smith, D.L.; Yule, T.J.

    1996-12-31

    Fast-Neutron Transmission Spectroscopy (FNTS) is being investigated for detection of explosives in luggage or air cargo. We present here the principle results of a two-year study of a few-view tomographic FNTS system using the Monte Carlo radiation transport code MCNP to simulate neutron transmission through simple luggage phantoms and Receiver Operator Characteristic (ROC) curves to determine system performance. Elemental distributions along projections through the interrogated object are obtained by analyzing MCNP generated neutron transmission data. Transmission data for few (3-5) angles and relatively coarse resolution ({approximately}2 cm) are used to create a tomographic reconstruction of elemental distributions within the object. The elemental unfolding and tomographic reconstruction algorithms and the concept of transmission-derived cross sections for use in elemental analysis have been validated by application to experimental data. Elemental distributions are combined in an explosives detection algorithm to provide an indication of the presence or absence of explosives. The algorithm in current use, termed the ``equivalent explosive`` algorithm, determines the quantity of explosive that can be formed using the measured amount of the constituent elements in each pixel. Reconstruction and explosives detection algorithms have been applied to a series of randomly packed suitcases to generated ROC that describe system performance in terms of the probability of detection and of false alarms. System studies have been performed to study the operational characteristics and limitations of a FNTS system, and to determine the system`s sensitivity to several important parameters such as neutron source reaction and incident particle energy, flight path length, and the position of the interrogated object.

  4. DNA Barcode Detects High Genetic Structure within Neotropical Bird Species

    PubMed Central

    Tavares, Erika Sendra; Gonçalves, Priscila; Miyaki, Cristina Yumi; Baker, Allan J.

    2011-01-01

    Background Towards lower latitudes the number of recognized species is not only higher, but also phylogeographic subdivision within species is more pronounced. Moreover, new genetically isolated populations are often described in recent phylogenies of Neotropical birds suggesting that the number of species in the region is underestimated. Previous COI barcoding of Argentinean bird species showed more complex patterns of regional divergence in the Neotropical than in the North American avifauna. Methods and Findings Here we analyzed 1,431 samples from 561 different species to extend the Neotropical bird barcode survey to lower latitudes, and detected even higher geographic structure within species than reported previously. About 93% (520) of the species were identified correctly from their DNA barcodes. The remaining 41 species were not monophyletic in their COI sequences because they shared barcode sequences with closely related species (N = 21) or contained very divergent clusters suggestive of putative new species embedded within the gene tree (N = 20). Deep intraspecific divergences overlapping with among-species differences were detected in 48 species, often with samples from large geographic areas and several including multiple subspecies. This strong population genetic structure often coincided with breaks between different ecoregions or areas of endemism. Conclusions The taxonomic uncertainty associated with the high incidence of non-monophyletic species and discovery of putative species obscures studies of historical patterns of species diversification in the Neotropical region. We showed that COI barcodes are a valuable tool to indicate which taxa would benefit from more extensive taxonomic revisions with multilocus approaches. Moreover, our results support hypotheses that the megadiversity of birds in the region is associated with multiple geographic processes starting well before the Quaternary and extending to more recent geological periods

  5. Noble Gas Detection Using Resonance Ionization Spectroscopy and a Quadrupole Mass Spectrometer

    NASA Astrophysics Data System (ADS)

    Chen, C. H.; Hurst, G. S.

    1983-10-01

    The technique of Resonance Ionization Spectroscopy (RIS) is being extended to develop a means for counting individual atoms of a selected isotope of a noble gas. In this method, lasers are used for RIS to obtain atomic species (Z) selectivity and a small quadrupole mass spectrometer provides isotopic (A) selectivity. A progress report on the objective of counting each atom of a particular isotope of a noble gas is given. Resonance ionization spectroscopy and its use for the detection of single atoms has been reviewed.' More recently, our efforts at ORNL have turned to the problem of direct counting of noble gas atoms2,3,4 as an alternative to decay counting of particular isotopes of noble gas species. For broader applications, the ORNL group is trying to develop a facility for counting a few rare gas atoms of a given isotopic variety in a sample. The detection of a small number of 81Kr atoms (<1000) is very important for groundwater dating, polar ice-cap dating, and nuclear waste disposal applications, and solar neutrino research. The ultimate goal is to count a small number (e.g., 100 to 1,000) of selected atoms having mass number A, even when mixed with 1012 or more atoms having mass number ± 1. The experimental schematic is shown in Figure 1. The concept for counting noble gas atoms with isotopic selectivity is to utilize a laser for ionizing atoms of a selected atomic

  6. Detection and Classification of Measurement Errors in Bioimpedance Spectroscopy

    PubMed Central

    Gil-Pita, Roberto

    2016-01-01

    Bioimpedance spectroscopy (BIS) measurement errors may be caused by parasitic stray capacitance, impedance mismatch, cross-talking or their very likely combination. An accurate detection and identification is of extreme importance for further analysis because in some cases and for some applications, certain measurement artifacts can be corrected, minimized or even avoided. In this paper we present a robust method to detect the presence of measurement artifacts and identify what kind of measurement error is present in BIS measurements. The method is based on supervised machine learning and uses a novel set of generalist features for measurement characterization in different immittance planes. Experimental validation has been carried out using a database of complex spectra BIS measurements obtained from different BIS applications and containing six different types of errors, as well as error-free measurements. The method obtained a low classification error (0.33%) and has shown good generalization. Since both the features and the classification schema are relatively simple, the implementation of this pre-processing task in the current hardware of bioimpedance spectrometers is possible. PMID:27362862

  7. Hydrogen leak detection using laser-induced breakdown spectroscopy.

    PubMed

    Ball, A J; Hohreiter, V; Hahn, D W

    2005-03-01

    Laser-induced breakdown spectroscopy (LIBS) is investigated as a technique for real-time monitoring of hydrogen gas. Two methodologies were examined: The use of a 100 mJ laser pulse to create a laser-induced breakdown directly in a sample gas stream, and the use of a 55 mJ laser pulse to create a laser-induced plasma on a solid substrate surface, with the expanding plasma sampling the gas stream. Various metals were analyzed as candidate substrate surfaces, including aluminum, copper, molybdenum, stainless steel, titanium, and tungsten. Stainless steel was selected, and a detailed analysis of hydrogen detection in binary mixtures of nitrogen and hydrogen at atmospheric pressure was performed. Both the gaseous plasma and the plasma initiated on the stainless steel surface generated comparable hydrogen emission signals, using the 656.28 Halpha emission line, and exhibited excellent signal linearity. The limit of detection is about 20 ppm (mass) as determined for both methodologies, with the solid-initiated plasma yielding a slightly better value. Overall, LIBS is concluded to be a viable candidate for hydrogen sensing, offering a combination of high sensitivity with a technique that is well suited to implementation in field environments.

  8. Detecting concealed information using functional near-infrared spectroscopy.

    PubMed

    Sai, Liyang; Zhou, Xiaomei; Ding, Xiao Pan; Fu, Genyue; Sang, Biao

    2014-09-01

    The present study focused on the potential application of fNIRS in the detection of concealed information. Participants either committed a mock crime or not and then were presented with a randomized series of probes (crime-related information) and irrelevants (crime-irrelevant information) in a standard concealed information test (CIT). Participants in the guilty group were instructed to conceal crime-related information they obtained from the mock crime, thus making deceptive response to the probes. Meanwhile, their brain activity to probes and irrelevants was recorded by functional near-infrared spectroscopy (fNIRS). At the group level, we found that probe items were associated with longer reaction times and greater activity in bilateral dorsolateral prefrontal cortex and supplementary motor cortex than irrelevant items in the guilty group, but not in the innocent group. These findings provided evidence on neural correlates of recognition during a CIT. Finally, on the basis of the activity in bilateral dorsolateral prefrontal cortex and supplementary motor cortex, the correct classification of guilty versus innocent participants was approximately 75 % and the combination of fNIRS and reaction time measures yielded a better classification rate of 83.3 %. These findings illustrate the feasibility and promise of using fNIRS to detect concealed information. PMID:24514911

  9. Phylogeny of cultivated and wild wheat species using ATR-FTIR spectroscopy

    NASA Astrophysics Data System (ADS)

    Demir, Pinar; Onde, Sertac; Severcan, Feride

    2015-01-01

    Within the last decade, an increasing amount of genetic data has been used to clarify the problems inherent in wheat taxonomy. The techniques for obtaining and analyzing these data are not only cumbersome, but also expensive and technically demanding. In the present study, we introduce infrared spectroscopy as a method for a sensitive, rapid and low cost phylogenetic analysis tool for wheat seed samples. For this purpose, 12 Triticum and Aegilops species were studied by Attenuated Total Reflection-Fourier Transform Infrared (ATR-FTIR) spectroscopy. Hierarchical cluster analysis and principal component analysis clearly revealed that the lignin band (1525-1505 cm-1) discriminated the species at the genus level. However, the species were clustered according to their genome commonalities when the whole spectra were used (4000-650 cm-1). The successful differentiation of Triticum and its closely related genus Aegilops clearly demonstrated the power of ATR-FTIR spectroscopy as a suitable tool for phylogenetic research.

  10. Studies of ground-state dynamics in isolated species by ionization-detected stimulated Raman techniques

    SciTech Connect

    Felker, P.M.

    1993-12-01

    First, the author aims to develop methods of nonlinear Raman spectroscopy for application in studies of sparse samples. Second, the author wishes to apply such methods to structural and dynamical studies of species (molecules, complexes, and clusters) in supersonic molecular beams. In the past year, the author has made progress in several areas. The first pertains to the application of mass-selective ionization-detected stimulated Raman spectroscopies (IDSRS) to the size-specific vibrational spectroscopy of solute-solvent{sub n} clusters. The second involves the application of IDSRS methods to studies of jet-cooled benzene clusters. The third pertains to the use of IDSRS methods in the study of intermolecular vibrational transitions in van der Waals complexes.

  11. Substitution Structures of Multiple Silicon-Containing Species by Chirped Pulse Ftmw Spectroscopy

    NASA Astrophysics Data System (ADS)

    Seifert, Nathan A.; Lobsiger, Simon; Pate, Brooks H.; Guirgis, Gamil A.; Overby, Jason S.; Durig, James R.

    2013-06-01

    The structures of CH_{3}SiHF-NCO, 1-X-silacyclopropane (X = cyano, isocyanato), 1,1,3,3-tetrafluoro-1,3-disilacyclopentane and its hydrogen analogue (1,3-disilacyclopentane), and 1-isocyanato-silacyclohexane have been studied by chirped pulse FTMW spectroscopy in the 6-18 GHz band. Multiple conformers for some of the species were also detected: anti and gauche for both silacyclopropyl species, and axial and equatorial for the silacyclohexane. Heavy atom substitution structures were determined, with all possible single ^{13}C, ^{29}Si/^{30}Si and most ^{15}N isotopologues assigned in natural abundance. Nitrogen hyperfine and distortion parameters for all species have been determined, and the barrier for methyl internal rotation for CH_{3}SiHF-NCO has been determined as 481(20) cm^{-1}, close to the B3LYP/6-311++g(d,p) barrier of 450 cm^{-1}. A summary of the microwave and structural results for the aforementioned molecules will be presented. In addition, emphasis will be placed on the use of previously discussed automated fitting techniques as a means of efficient and fast assignment of isotopologues in spectra with increasingly large line densities. A. L. Steber, J. L. Neill, M. T. Muckle, B. H. Pate, D. F. Plusquellic, V. Lattanzi, S. Spezzano, M. C. McCarthy. 65th OSU Int. Symp. On Mol. Spectrosc., Columbus, OH, 2010, TC10. E. B. Kent, M. N. McCabe, M. A. Phillips, B. P. Gordon, S. T. Shipman. 66th OSU Int. Symp. On Mol. Spectrosc., Columbus, OH, 2011, RH01.

  12. New and Improved Infrared Spectroscopy of Halogen-Containing Species for ACE-FTS Retrievals

    NASA Astrophysics Data System (ADS)

    Harrison, Jeremy J.

    2014-06-01

    The Atmospheric Chemistry Experiment Fourier transform spectrometer (ACE-FTS), onboard the SCISAT-1 satellite, is a high-resolution (0.02 cm-1) instrument covering the 750-4400 cm-1 spectral region in solar occultation mode. Launched in August 2003, the ACE-FTS has been taking atmospheric measurements for over ten years. With long atmospheric pathlengths (˜300 km) and the sun as a radiation source, the ACE-FTS provides a low detection threshold for trace species in the atmosphere. In fact, it measures the vertical profiles of more molecules in the atmosphere than any other satellite instrument.

    Fluorine- and chlorine-containing molecules in the atmosphere are very strong greenhouse gases, meaning that even small amounts of these gases contribute significantly to the radiative forcing of climate. Chlorofluorocarbons (CFCs) and hydrochlorofluorocarbons (HCFCs) are regulated by the 1987 Montreal Protocol because they deplete the ozone layer. Hydrofluorocarbons (HFCs), which do not deplete the ozone layer and are not regulated by the Montreal Protocol, have been introduced as replacements for CFCs and HCFCs. HFCs have global-warming potentials many times greater than carbon dioxide, and are increasing in the atmosphere at a very fast rate. The quantification of the atmospheric abundances of such molecules from measurements taken by the ACE-FTS and other satellite instruments crucially requires accurate quantitative infrared spectroscopy. HITRAN contains absorption cross section datasets for a number of these species, but many of them have minor deficiencies that introduce systematic errors into satellite retrievals. This talk will focus on new and improved laboratory measurements for a number of important halogenated species.

  13. Characterization of gaseous species in scanning atmospheric rf plasma with transmission infrared spectroscopy

    SciTech Connect

    Kim, Seong H.; Kim, Jeong Hoon; Kang, Bang-Kwon

    2008-01-15

    A scanning atmospheric radio-frequency (rf) plasma was analyzed with transmission infrared (IR) spectroscopy. The IR analyses were made for the plasmas used for hydrophobic coating deposition and superhydrophobic coating deposition processes. Since the rf plasma was generated in a small open space with a high gas flow rate in ambient air, the density of gas-phase molecules was very high and the plasma-generated reactive species seemed to undergo various reactions in the gas phase. So, the transmission IR spectra of the scanning atmospheric rf plasma were dominated by gas-phase reaction products, rather than plasma-generated intermediate species. In the CH{sub 4}/He plasma used for hydrophobic coating deposition, C{sub 2}H{sub 6}, C{sub 2}H{sub 2}, and a small amount of C{sub 2}H{sub 4} as well as CO were detected in transmission IR. The intensities of these peaks increased as the rf power increased. The CO formation is due to the activation of oxygen and water in the air. In the CF{sub 4}/H{sub 2}/He plasma used for deposition of superhydrophobic coatings, C{sub 2}F{sub 6}, CF{sub 3}H, COF{sub 2}, and HF were mainly detected. When the H{sub 2}/CF{sub 4} ratio was {approx}0.5, the consumption of CF{sub 4} was the highest. As the H{sub 2}/CF{sub 4} ratio increased higher, the C{sub 2}F{sub 6} production was suppressed while the CF{sub 3}H peak grew and the formation of CH{sub 4} were detected. In both CH{sub 4}/He and CF{sub 4}/H{sub 2}/He plasma systems, the undissociated feed gas molecules seem to be highly excited vibrationally and rotationally. The information on plasma-generated reactive species and their reactions was deduced from the distribution of these gas-phase reaction products.

  14. The relationship between species detection probability and local extinction probability

    USGS Publications Warehouse

    Alpizar-Jara, R.; Nichols, J.D.; Hines, J.E.; Sauer, J.R.; Pollock, K.H.; Rosenberry, C.S.

    2004-01-01

    In community-level ecological studies, generally not all species present in sampled areas are detected. Many authors have proposed the use of estimation methods that allow detection probabilities that are <1 and that are heterogeneous among species. These methods can also be used to estimate community-dynamic parameters such as species local extinction probability and turnover rates (Nichols et al. Ecol Appl 8:1213-1225; Conserv Biol 12:1390-1398). Here, we present an ad hoc approach to estimating community-level vital rates in the presence of joint heterogeneity of detection probabilities and vital rates. The method consists of partitioning the number of species into two groups using the detection frequencies and then estimating vital rates (e.g., local extinction probabilities) for each group. Estimators from each group are combined in a weighted estimator of vital rates that accounts for the effect of heterogeneity. Using data from the North American Breeding Bird Survey, we computed such estimates and tested the hypothesis that detection probabilities and local extinction probabilities were negatively related. Our analyses support the hypothesis that species detection probability covaries negatively with local probability of extinction and turnover rates. A simulation study was conducted to assess the performance of vital parameter estimators as well as other estimators relevant to questions about heterogeneity, such as coefficient of variation of detection probabilities and proportion of species in each group. Both the weighted estimator suggested in this paper and the original unweighted estimator for local extinction probability performed fairly well and provided no basis for preferring one to the other.

  15. Determining the Sulfur species in the dispersants Corexit 9500A and 9527A applying S K-edge XANES spectroscopy

    NASA Astrophysics Data System (ADS)

    Bovenkamp-Langlois, Lisa; Roy, Amitava

    2016-05-01

    The dispersants Corexit 9500A and 9527A were used extensively during the Deepwater Horizon oil spill in the Gulf of Mexico. Sulfur K-edge X-ray absorption near edge structure (XANES) spectroscopy was used to investigate the dispersants for the sulfur based components. The main sulfur containing component should be dioctyl sodium sulfosuccinate (DOSS). S K-edge XANES analysis shows that indeed the major sulfur species in both kinds of Corexit (9500A and 9527A) is sulfonic acid which is a part of DOSS. In addition some fraction of sulfone was detected.

  16. Structure-property study of the Raman spectroscopy detection of fusaric acid and analogs

    Technology Transfer Automated Retrieval System (TEKTRAN)

    Food security can benefit from the development of selective methods to detect toxins. Fusaric acid is a mycotoxin produced by certain fungi occasionally found in agricultural commodities. Raman spectroscopy allows selective detection of analytes associated with certain spectral characteristics relat...

  17. Detection of Biological Materials Using Ion Mobility Spectroscopy

    SciTech Connect

    Rodacy, P.J.; Sterling, J.P.; Butler, M.A.

    1999-03-01

    Traditionally, Ion Mobility Spectroscopy has been used to examine ions of relatively low molecular weight and high ion mobility. In recent years, however, biomolecules such as bradykinin, cytochrome c, bovine pancreatic trypsin inhibitor (BPTI), apomyoglobin, and lysozyme, have been successfully analyzed, but studies of whole bio-organisms have not been performed. In this study an attempt was made to detect and measure the mobility of two bacteriophages, {lambda}-phage and MS2 using electrospray methods to inject the viruses into the ion mobility spectrometer. Using data from Yeh, et al., which makes a comparison between the diameter of non-biologic particles and the specific particle mobility, the particle mobility for the MS2 virus was estimated to be 10{sup {minus}2} cm{sup 2}/volt-sec. From this mobility the drift time of these particles in our spectrometer was calculated to be approximately 65 msec. The particle mobility for the {lambda}-phage virus was estimated to be 10{sup {minus}3} cm{sup 2}/volt-sec. which would result in a drift time of 0.7 sec. Spectra showing the presence of a viral peak at the expected drift time were not observed. However, changes in the reactant ion peak that could be directly attributed to the presence of the viruses were observed. Virus clustering, excessive collisions, and the electrospray injection method limited the performance of this IMS. However, we believe that an instrument specifically designed to analyze such bioagents and utilizing other injection and ionization methods will succeed in directly detecting viruses and bacteria.

  18. Biophysical basis for noninvasive skin cancer detection using Raman spectroscopy

    NASA Astrophysics Data System (ADS)

    Feng, Xu; Moy, Austin J.; Markey, Mia K.; Fox, Matthew C.; Reichenberg, Jason S.; Tunnell, James W.

    2016-03-01

    Raman spectroscopy (RS) is proving to be a valuable tool for real time noninvasive skin cancer detection via optical fiber probe. However, current methods utilizing RS for skin cancer diagnosis rely on statistically based algorithms to provide tissue classification and do not elucidate the underlying biophysical changes of skin tissue. Therefore, we aim to use RS to explore skin biochemical and structural characteristics and then correlate the Raman spectrum of skin tissue with its disease state. We have built a custom confocal micro-Raman spectrometer system with an 830nm laser light. The high resolution capability of the system allows us to measure spectroscopic features from individual tissue components in situ. Raman images were collected from human skin samples from Mohs surgical biopsy, which were then compared with confocal laser scanning, two-photon fluorescence and hematoxylin and eosin-stained images to develop a linear model of skin tissue Raman spectra. In this model, macroscopic tissue spectra obtained from RS fiber probe were fit into a linear combination of individual basis spectra of primary skin constituents. The fit coefficient of the model explains the biophysical changes spanning a range of normal and various disease states. The model allows for determining parameters similar to that a pathologist is familiar reading and will be a significant guidance in developing RS diagnostic decision schemes.

  19. Optical heterodyne detection for cavity ring-down spectroscopy

    DOEpatents

    Levenson, Marc D.; Paldus, Barbara A.; Zare, Richard N.

    2000-07-25

    A cavity ring-down system for performing cavity ring-down spectroscopy (CRDS) using optical heterodyne detection of a ring-down wave E.sub.RD during a ring-down phase or a ring-up wave E.sub.RU during a ring up phase. The system sends a local oscillator wave E.sub.LO and a signal wave E.sub.SIGNAL to the cavity, preferably a ring resonator, and derives an interference signal from the combined local oscillator wave E.sub.LO and the ring-down wave E.sub.RD (or ring-up wave E.sub.RU). The local oscillator wave E.sub.LO has a first polarization and the ring-down wave E.sub.RD has a second polarization different from the first polarization. The system has a combining arrangement for combining or overlapping local oscillator wave E.sub.LO and the ring-down wave E.sub.RD at a photodetector, which receives the interference signal and generates a heterodyne current I.sub.H therefrom. Frequency and phase differences between the waves are adjustable.

  20. Near-infrared imaging spectroscopy for counterfeit drug detection

    NASA Astrophysics Data System (ADS)

    Arnold, Thomas; De Biasio, Martin; Leitner, Raimund

    2011-06-01

    Pharmaceutical counterfeiting is a significant issue in the healthcare community as well as for the pharmaceutical industry worldwide. The use of counterfeit medicines can result in treatment failure or even death. A rapid screening technique such as near infrared (NIR) spectroscopy could aid in the search for and identification of counterfeit drugs. This work presents a comparison of two laboratory NIR imaging systems and the chemometric analysis of the acquired spectroscopic image data. The first imaging system utilizes a NIR liquid crystal tuneable filter and is designed for the investigation of stationary objects. The second imaging system utilizes a NIR imaging spectrograph and is designed for the fast analysis of moving objects on a conveyor belt. Several drugs in form of tablets and capsules were analyzed. Spectral unmixing techniques were applied to the mixed reflectance spectra to identify constituent parts of the investigated drugs. The results show that NIR spectroscopic imaging can be used for contact-less detection and identification of a variety of counterfeit drugs.

  1. Laser Infrared Desorption Spectroscopy to Detect Complex Organic Molecules on Icy Planetary Surfaces

    NASA Technical Reports Server (NTRS)

    Sollit, Luke S.; Beegle, Luther W.

    2008-01-01

    Laser Desorption-Infrared Spectroscopy (LD-IR) uses an IR laser pulse to desorb surface materials while a spectrometer measures the emission spectrum of the desorbed materials (Figure 1). In this example, laser desorption operates by having the incident laser energy absorbed by near surface material (10 microns in depth). This desorption produces a plume that exists in an excited state at elevated temperatures. A natural analog for this phenomenon can be observed when comets approach the sun and become active and individual molecular emission spectra can be observed in the IR [1,2,3,4,5]. When this occurs in comets, the same species that initially emit radiation down to the ground state are free to absorb it, reducing the amount of detectable emission features. The nature of our technique results in absorption not occurring, because the laser pulse could easily be moved away form the initial desorption plume, and still have better spatial resolution then reflectance spectroscopy. In reflectance spectroscopy, trace components have a relatively weak signal when compared to the entire active nature of the surface. With LDIR, the emission spectrum is used to identify and analyze surface materials.

  2. Application of laser photothermal spectroscopy for standoff detection of trace explosive residues on surfaces

    SciTech Connect

    Skvortsov, L A; Maksimov, E M

    2010-09-10

    Laser photothermal methods of standoff detection of trace explosive residues on surfaces are considered. The analysis is restricted to the most promising methods: photoacoustic spectroscopy, deflection spectroscopy, and IR photothermal imaging of objects under resonant irradiation. Particular attention is paid to the choice of radiation sources and detectors. Comparative analysis of the existing standoff detection methods for explosive particles on the object surface is performed. Prospects of laser photothermal spectroscopy in this field are discussed. (review)

  3. An empirical probability model of detecting species at low densities.

    PubMed

    Delaney, David G; Leung, Brian

    2010-06-01

    False negatives, not detecting things that are actually present, are an important but understudied problem. False negatives are the result of our inability to perfectly detect species, especially those at low density such as endangered species or newly arriving introduced species. They reduce our ability to interpret presence-absence survey data and make sound management decisions (e.g., rapid response). To reduce the probability of false negatives, we need to compare the efficacy and sensitivity of different sampling approaches and quantify an unbiased estimate of the probability of detection. We conducted field experiments in the intertidal zone of New England and New York to test the sensitivity of two sampling approaches (quadrat vs. total area search, TAS), given different target characteristics (mobile vs. sessile). Using logistic regression we built detection curves for each sampling approach that related the sampling intensity and the density of targets to the probability of detection. The TAS approach reduced the probability of false negatives and detected targets faster than the quadrat approach. Mobility of targets increased the time to detection but did not affect detection success. Finally, we interpreted two years of presence-absence data on the distribution of the Asian shore crab (Hemigrapsus sanguineus) in New England and New York, using our probability model for false negatives. The type of experimental approach in this paper can help to reduce false negatives and increase our ability to detect species at low densities by refining sampling approaches, which can guide conservation strategies and management decisions in various areas of ecology such as conservation biology and invasion ecology.

  4. Coherent anti-stokes Raman spectroscopy system for point temperature and major species concentration measurement

    SciTech Connect

    Singh, J.P.; Yueh, Fang-Yu

    1993-10-01

    The Coherent anti-Stokes Raman Spectroscopy system (CARS) has been developed as a laser-based, advanced, combustion-diagnostic technique to measure temperature and major species concentration. Principles of operation, description of the system and its capabilities, and operational details of this instrument are presented in this report.

  5. Temperature and multi-species measurements by supercontinuum absorption spectroscopy for IC engine applications.

    PubMed

    Werblinski, Thomas; Engel, Sascha R; Engelbrecht, Rainer; Zigan, Lars; Will, Stefan

    2013-06-01

    The first supercontinuum (SC) absorption spectroscopy measurements showing the feasibility of quantitative temperature evaluation are presented to the best of the authors' knowledge. Temperature and multi-species measurements were carried out at a detection rate of ~2 MHz in a high-temperature flow cell within a temperature range from 450 K to 750 K at 0.22 MPa, representing conditions during the suction and compression stroke in an internal combustion (IC) engine. The broadband SC pulses were temporally dispersed into fast wavelength sweeps, covering the overtone absorption bands 2ν(1), 2ν(3), ν(1) + ν(3) of H2O and 3ν(3) of CO2 in the near-infrared region from 1330 nm to 1500 nm. The temperature information is inferred from the peak ratio of a temperature sensitive (1362.42 nm) and insensitive (1418.91 nm) absorption feature in the ν(1) + ν(3) overtone bands of water. The experimental results are in very good agreement with theoretical intensity ratios calculated from absorption spectra based on HiTran data. PMID:23736618

  6. Temperature and multi-species measurements by supercontinuum absorption spectroscopy for IC engine applications.

    PubMed

    Werblinski, Thomas; Engel, Sascha R; Engelbrecht, Rainer; Zigan, Lars; Will, Stefan

    2013-06-01

    The first supercontinuum (SC) absorption spectroscopy measurements showing the feasibility of quantitative temperature evaluation are presented to the best of the authors' knowledge. Temperature and multi-species measurements were carried out at a detection rate of ~2 MHz in a high-temperature flow cell within a temperature range from 450 K to 750 K at 0.22 MPa, representing conditions during the suction and compression stroke in an internal combustion (IC) engine. The broadband SC pulses were temporally dispersed into fast wavelength sweeps, covering the overtone absorption bands 2ν(1), 2ν(3), ν(1) + ν(3) of H2O and 3ν(3) of CO2 in the near-infrared region from 1330 nm to 1500 nm. The temperature information is inferred from the peak ratio of a temperature sensitive (1362.42 nm) and insensitive (1418.91 nm) absorption feature in the ν(1) + ν(3) overtone bands of water. The experimental results are in very good agreement with theoretical intensity ratios calculated from absorption spectra based on HiTran data.

  7. Can Hyperspectral Remote Sensing Detect Species Specific Biochemicals ?

    NASA Astrophysics Data System (ADS)

    Vanderbilt, V. C.; Daughtry, C. S.

    2011-12-01

    Discrimination of a few plants scattered among many plants is a goal common to detection of agricultural weeds, invasive plant species and illegal Cannabis clandestinely grown outdoors, the subject of this research. Remote sensing technology provides an automated, computer based, land cover classification capability that holds promise for improving upon the existing approaches to Cannabis detection. In this research, we investigated whether hyperspectral reflectance of recently harvested, fully turgid Cannabis leaves and buds depends upon the concentration of the psychoactive ingredient Tetrahydrocannabinol (THC) that, if present at sufficient concentration, presumably would allow species-specific identification of Cannabis.

  8. Rapid detection of Listeria monocytogenes in milk using confocal micro-Raman spectroscopy and chemometric analysis.

    PubMed

    Wang, Junping; Xie, Xinfang; Feng, Jinsong; Chen, Jessica C; Du, Xin-jun; Luo, Jiangzhao; Lu, Xiaonan; Wang, Shuo

    2015-07-01

    Listeria monocytogenes is a facultatively anaerobic, Gram-positive, rod-shape foodborne bacterium causing invasive infection, listeriosis, in susceptible populations. Rapid and high-throughput detection of this pathogen in dairy products is critical as milk and other dairy products have been implicated as food vehicles in several outbreaks. Here we evaluated confocal micro-Raman spectroscopy (785 nm laser) coupled with chemometric analysis to distinguish six closely related Listeria species, including L. monocytogenes, in both liquid media and milk. Raman spectra of different Listeria species and other bacteria (i.e., Staphylococcus aureus, Salmonella enterica and Escherichia coli) were collected to create two independent databases for detection in media and milk, respectively. Unsupervised chemometric models including principal component analysis and hierarchical cluster analysis were applied to differentiate L. monocytogenes from Listeria and other bacteria. To further evaluate the performance and reliability of unsupervised chemometric analyses, supervised chemometrics were performed, including two discriminant analyses (DA) and soft independent modeling of class analogies (SIMCA). By analyzing Raman spectra via two DA-based chemometric models, average identification accuracies of 97.78% and 98.33% for L. monocytogenes in media, and 95.28% and 96.11% in milk were obtained, respectively. SIMCA analysis also resulted in satisfied average classification accuracies (over 93% in both media and milk). This Raman spectroscopic-based detection of L. monocytogenes in media and milk can be finished within a few hours and requires no extensive sample preparation.

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

    PubMed

    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 < 0.001, indicating that O-CH(2) wag at 1396 cm(-1) can be used as a biomarker of this species group. The species could be categorized into four groups according to phylogenetic similarity, suggesting that the O-CH(2) 1396 cm(-1) absorbance is related to the biological traits of each species. This procedure can also be used to complement evolutionary studies.

  10. Investigating species co-occurrence patterns when species are detected imperfectly

    USGS Publications Warehouse

    MacKenzie, D.I.; Bailey, L.L.; Nichols, J.D.

    2004-01-01

    1. Over the last 30 years there has been a great deal of interest in investigating patterns of species co-occurrence across a number of locations, which has led to the development of numerous methods to determine whether there is evidence that a particular pattern may not have occurred by random chance. 2. A key aspect that seems to have been largely overlooked is the possibility that species may not always be detected at a location when present, which leads to 'false absences' in a species presence/absence matrix that may cause incorrect inferences to be made about co-occurrence patterns. Furthermore, many of the published methods for investigating patterns of species co-occurrence do not account for potential differences in the site characteristics that may partially (at least) explain non-random patterns (e.g. due to species having similar/different habitat preferences). 3. Here we present a statistical method for modelling co-occurrence patterns between species while accounting for imperfect detection and site characteristics. This method requires that multiple presence/absence surveys for the species be conducted over a reasonably short period of time at most sites. The method yields unbiased estimates of probabilities of occurrence, and is practical when the number of species is small (< 4). 4. To illustrate the method we consider data collected on two terrestrial salamander species, Plethodonjordani and members of the Plethodon glutinosus complex, collected in the Great Smoky Mountains National Park, USA. We find no evidence that the species do not occur independently at sites once site elevation has been allowed for, although we find some evidence of a statistical interaction between species in terms of detectability that we suggest may be due to changes in relative abundances.

  11. Fluorescence correlation spectroscopy: Ultrasensitive detection in clear and turbid media

    NASA Astrophysics Data System (ADS)

    Tahari, Abdel Kader

    In this work, I describe the development of a simple, inexpensive, and powerful alternative technique to detect and analyze, without enrichment, extremely low concentrations of cells, bacteria, viruses, and protein aggregates in turbid fluids for clinical and biotechnological applications. The anticipated applications of this technique are many. They range from the determination of the somatic cell count in milk for the dairy industry, to the enumeration and characterization of microorganisms in environmental microbiology and the food industry, and to the fast and ultrasensitive detection of protein aggregates for the diagnosis of Alzheimer's and other neurodegenerative diseases in clinical medicine. A prototype instrument has been built and allowed the detection and quantification of particles down to a few per milliliter in short scanning times. It consists of a small microscope that has a horizontal geometry and a mechanical instrument that holds a cylindrical cuvette (1 cm in diameter) with two motors that provide a rotational and a slower vertical inversion motions. The illumination focus is centered about 200 mum from the wall of the cuvette inside the sample. The total volume that is explored is large (˜1ml/min for bright particles). The data is analyzed with a correlation filter program based on particle passage pattern recognition. I will also describe further work on improving the sensitivity of the technique, expanding it for multiple-species discrimination and enumeration, and testing the prototype device in actual clinical and biotechnological applications. The main clinical application of this project seeks to establish conditions and use this new technique to quantify and size-analyze oligomeric complexes of the Alzheimer's disease beta-peptide in cerebrospinal fluid and other body fluids as a molecular biomarker for persons at risk of Alzheimer's disease dementia. The technology could potentially be extended to the diagnosis and therapeutic

  12. Blood species identification for forensic purposes using Raman spectroscopy combined with advanced statistical analysis.

    PubMed

    Virkler, Kelly; Lednev, Igor K

    2009-09-15

    Forensic analysis has become one of the most growing areas of analytical chemistry in recent years. The ability to determine the species of origin of a body fluid sample is a very important and crucial part of a forensic investigation. We introduce here a new technique which utilizes a modern analytical method based on the combination of Raman spectroscopy and advanced statistics to analyze the composition of blood traces from different species. Near-infrared Raman spectroscopy (NIR) was used to analyze multiple dry samples of human, canine, and feline blood for the ultimate application to forensic species identification. All of the spectra were combined into a single data matrix, and the number of principle components that described the system was determined using multiple statistical methods such as significant factor analysis (SFA), principle component analysis (PCA), and several cross-validation methods. Of the six principle components that were determined to be present, the first three, which contributed over 90% to the spectral data of the system, were used to form a three-dimensional scores plot that clearly showed significant separation between the three groups of species. Ellipsoids representing a 99% confidence interval surrounding each species group showed no overlap. This technique using Raman spectroscopy is nondestructive and quick and can potentially be performed at the scene of a crime.

  13. Spectroscopy and detectability of liquid brines on mars

    NASA Astrophysics Data System (ADS)

    Massé, M.; Beck, P.; Schmitt, B.; Pommerol, A.; McEwen, A.; Chevrier, V.; Brissaud, O.; Séjourné, A.

    2014-03-01

    Recent geomorphological observations as well as chemical and thermodynamic studies demonstrate that liquid water should be stable today on the Martian surface at some times of the day. In Martian conditions, brines would be particularly more stable than pure water because salts can depress the freezing point and lower the evaporation rate of water. Despite this evidence, no clear spectral signature of liquid has been observed so far by the hyperspectral imaging spectrometers OMEGA and CRISM. However, past spectral analysis lacks a good characterization of brines' spectral signatures. This study thus aims to determine how liquid brines can be detected on Mars by spectroscopy. In this way, laboratory experiments were performed for reproducing hydration and dehydration cycles of various brines while measuring their spectral signatures. The resulting spectra first reveal a very similar spectral evolution for the various brine types and pure water, with the main difference observed at the end of the dehydration with the crystallization of various hydrated minerals from brines. The main characteristic of this spectral behavior is an important decoupling between the evolution of albedo and hydration bands depths. During most of the wetting/drying processes, spectra usually display a low albedo associated with shallow water absorption band depths. Strong water absorption band depth and high albedo are respectively only observed when the surface is very wet and when the surface is very dry. These experiments can thus explain why the currently active Martian features attributed to the action of a liquid are only associated with low albedo and very weak spectral signatures. Hydration experiments also reveal that deliquescence occurs easily even at low temperature and moderate soil water vapor pressure and could thus cause seasonal darkening on Mars. These experiments demonstrate that the absence of water absorptions in CRISM in the middle afternoon does not rule out water

  14. Unmanned Aerial Vehicles for Alien Plant Species Detection and Monitoring

    NASA Astrophysics Data System (ADS)

    Dvořák, P.; Müllerová, J.; Bartaloš, T.; Brůna, J.

    2015-08-01

    Invasive species spread rapidly and their eradication is difficult. New methods enabling fast and efficient monitoring are urgently needed for their successful control. Remote sensing can improve early detection of invading plants and make their management more efficient and less expensive. In an ongoing project in the Czech Republic, we aim at developing innovative methods of mapping invasive plant species (semi-automatic detection algorithms) by using purposely designed unmanned aircraft (UAV). We examine possibilities for detection of two tree and two herb invasive species. Our aim is to establish fast, repeatable and efficient computer-assisted method of timely monitoring, reducing the costs of extensive field campaigns. For finding the best detection algorithm we test various classification approaches (object-, pixel-based and hybrid). Thanks to its flexibility and low cost, UAV enables assessing the effect of phenological stage and spatial resolution, and is most suitable for monitoring the efficiency of eradication efforts. However, several challenges exist in UAV application, such as geometrical and radiometric distortions, high amount of data to be processed and legal constrains for the UAV flight missions over urban areas (often highly invaded). The newly proposed UAV approach shall serve invasive species researchers, management practitioners and policy makers.

  15. 21 CFR 866.3402 - Plasmodium species antigen detection assays.

    Code of Federal Regulations, 2014 CFR

    2014-04-01

    ... 21 Food and Drugs 8 2014-04-01 2014-04-01 false Plasmodium species antigen detection assays. 866.3402 Section 866.3402 Food and Drugs FOOD AND DRUG ADMINISTRATION, DEPARTMENT OF HEALTH AND HUMAN SERVICES (CONTINUED) MEDICAL DEVICES IMMUNOLOGY AND MICROBIOLOGY DEVICES Serological Reagents §...

  16. 21 CFR 866.3402 - Plasmodium species antigen detection assays.

    Code of Federal Regulations, 2011 CFR

    2011-04-01

    ... 21 Food and Drugs 8 2011-04-01 2011-04-01 false Plasmodium species antigen detection assays. 866.3402 Section 866.3402 Food and Drugs FOOD AND DRUG ADMINISTRATION, DEPARTMENT OF HEALTH AND HUMAN SERVICES (CONTINUED) MEDICAL DEVICES IMMUNOLOGY AND MICROBIOLOGY DEVICES Serological Reagents §...

  17. 21 CFR 866.3402 - Plasmodium species antigen detection assays.

    Code of Federal Regulations, 2012 CFR

    2012-04-01

    ... 21 Food and Drugs 8 2012-04-01 2012-04-01 false Plasmodium species antigen detection assays. 866.3402 Section 866.3402 Food and Drugs FOOD AND DRUG ADMINISTRATION, DEPARTMENT OF HEALTH AND HUMAN SERVICES (CONTINUED) MEDICAL DEVICES IMMUNOLOGY AND MICROBIOLOGY DEVICES Serological Reagents §...

  18. 21 CFR 866.3402 - Plasmodium species antigen detection assays.

    Code of Federal Regulations, 2010 CFR

    2010-04-01

    ... 21 Food and Drugs 8 2010-04-01 2010-04-01 false Plasmodium species antigen detection assays. 866.3402 Section 866.3402 Food and Drugs FOOD AND DRUG ADMINISTRATION, DEPARTMENT OF HEALTH AND HUMAN SERVICES (CONTINUED) MEDICAL DEVICES IMMUNOLOGY AND MICROBIOLOGY DEVICES Serological Reagents §...

  19. 21 CFR 866.3402 - Plasmodium species antigen detection assays.

    Code of Federal Regulations, 2013 CFR

    2013-04-01

    ... 21 Food and Drugs 8 2013-04-01 2013-04-01 false Plasmodium species antigen detection assays. 866.3402 Section 866.3402 Food and Drugs FOOD AND DRUG ADMINISTRATION, DEPARTMENT OF HEALTH AND HUMAN SERVICES (CONTINUED) MEDICAL DEVICES IMMUNOLOGY AND MICROBIOLOGY DEVICES Serological Reagents §...

  20. Characterisation Of Polysacharides And Lipids From Selected Green Algae Species By FTIR-ATR Spectroscopy

    NASA Astrophysics Data System (ADS)

    Bartošová, Alica; Blinová, Lenka; Gerulová, Kristína

    2015-06-01

    Fourier transform infrared (FTIR) spectroscopy was used in this study to identify and determine spectral features of Chromochloris zofingiensis (Dönz) Fucíková et L.A. Lewis (SAG 211-14, Gottingen, Germany), Acutodesmus obliguus (Turpin) Hegewald (SAG 276-1, Gottingen, Germany) and Chlorella sorokiniana (K. Brandt) Pröschold et Darienko (SAG 211-40c, Gottingen, Germany). Polysaccharides and lipids from these three algae species were determined using Fourier Transformed Infrared Spectroscopy (FTIR) with ATR accessory with diamante crystal in spectral range from 400 - 4000 cm-1 and resolution 4.

  1. Remote Pulsed Laser Raman Spectroscopy System for Detecting Qater, Ice, and Hydrous Minerals

    NASA Technical Reports Server (NTRS)

    Garcia, Christopher S.; Abedin, M. Nuraul; Sharma, Shiv K.; Misra, Anupam K.; Ismail, Syed; Singh, Upendra; Refaat, Tamer F.; Elsayed-Ali, Hani; Sandford, Steve

    2006-01-01

    For exploration of planetary surfaces, detection of water and ice is of great interest in supporting existence of life on other planets. Therefore, a remote Raman spectroscopy system was demonstrated at NASA Langley Research Center in collaboration with University of Hawaii for detecting ice-water and hydrous minerals on planetary surfaces. In this study, a 532 nm pulsed laser is utilized as an excitation source to allow detection in high background radiation conditions. The Raman scattered signal is collected by a 4-inch telescope positioned in front of a spectrograph. The Raman spectrum is analyzed using a spectrograph equipped with a holographic super notch filter to eliminate Rayleigh scattering, and a holographic transmission grating that simultaneously disperses two spectral tracks onto the detector for higher spectral range. To view the spectrum, the spectrograph is coupled to an intensified charge-coupled device (ICCD), which allows detection of very weak Stokes line. The ICCD is operated in gated mode to further suppress effects from background radiation and long-lived fluorescence. The sample is placed at 5.6 m from the telescope, and the laser is mounted on the telescope in a coaxial geometry to achieve maximum performance. The system was calibrated using the spectral lines of a Neon lamp source. To evaluate the system, Raman standard samples such as calcite, naphthalene, acetone, and isopropyl alcohol were analyzed. The Raman evaluation technique was used to analyze water, ice and other hydrous minerals and results from these species are presented.

  2. Remote pulsed laser Raman spectroscopy system for detecting water, ice, and hydrous minerals

    NASA Astrophysics Data System (ADS)

    Garcia, Christopher S.; Abedin, M. Nurul; Sharma, Shiv K.; Misra, Anupam K.; Ismail, Syed; Singh, Upendra N.; Refaat, Tamer F.; Elsayed-Ali, Hani E.; Sandford, Steve P.

    2006-08-01

    For exploration of planetary surfaces, detection of water and ice is of great interest in supporting existence of life on other planets. Therefore, a remote Raman spectroscopy system was demonstrated at NASA Langley Research Center in collaboration with the University of Hawaii for detecting ice-water and hydrous minerals on planetary surfaces. In this study, a 532 nm pulsed laser is utilized as an excitation source to allow detection in high background radiation conditions. The Raman scattered signal is collected by a 4-inch telescope positioned in front of a spectrograph. The Raman spectrum is analyzed using a spectrograph equipped with a holographic super notch filter to eliminate Rayleigh scattering, and a holographic transmission grating that simultaneously disperses two spectral tracks onto the detector for higher spectral range. To view the spectrum, the spectrograph is coupled to an intensified charge-coupled device (ICCD), which allows detection of very weak Stokes line. The ICCD is operated in gated mode to further suppress effects from background radiation and long-lived fluorescence. The sample is placed at 5.6 m from the telescope, and the laser is mounted on the telescope in a coaxial geometry to achieve maximum performance. The system was calibrated using the spectral lines of a Neon lamp source. To evaluate the system, Raman standard samples such as calcite, naphthalene, acetone, and isopropyl alcohol were analyzed. The Raman evaluation technique was used to analyze water, ice and other hydrous minerals and results from these species are presented.

  3. Remote detection of trace effluents using Resonance Raman spectroscopy: Field results and evaluation

    SciTech Connect

    Sedlacek, A.J.; Chen, C.L.

    1995-10-01

    Resonance Raman spectroscopy (RRS) possesses many characteristics that are important for detecting, identifying and monitoring chemical effluents. Raman scattering is a coherent, inelastic, two-photon scattering process where an exciting photon of energy h{nu} promotes a molecule to a virtual level and the subsequently emitted photon is shifted in frequency in accordance with the rotational-vibrational structure of the irradiated species, thereby providing a unique fingerprint of the molecule. Under resonance enhancement, the Raman scattering cross-sections have been observed to increase up to 6 orders of magnitude above the normal scattering cross-sections, thereby providing the practical basis for a remote chemical sensor. Some of the other advantages that a Raman sensor possesses are: (1) very high selectivity (chemical specific fingerprints), (2) independence of the spectral fingerprint on the excitation wavelength (ability to monitor in the solar blind region), (3) chemical mixture fingerprints are the sum of its individual components (no spectral cross-talk), (4) near independence of the Raman fingerprint to its physical state (very similar spectra for gas, liquid, solid or solutions), (5) no absolute calibration is necessary because all Raman signals observed from a given species can be compared with the Raman signal for N{sub 2}, whose concentration is known very accurately, and (6) insensitivity of the Raman signature to environmental conditions (no quenching, or interference from water vapor). In this presentation, the technology of resonance Raman spectroscopy as applied to the detection of narcotics production activities will be presented along with some recent experimental results.

  4. Vibrational Sum Frequency Generation Spectroscopy Study of Hydrous Species in Soda Lime Silica Float Glass.

    PubMed

    Luo, Jiawei; Banerjee, Joy; Pantano, Carlo G; Kim, Seong H

    2016-06-21

    It is generally accepted that the mechanical properties of soda lime silica (SLS) glass can be affected by the interaction between sodium ions and hydrous species (silanol groups and water molecules) in its surface region. While the amount of these hydrous species can be estimated from hydrogen profiles and infrared spectroscopy, their chemical environment in the glass network is still not well understood. This work employed vibrational sum frequency generation (SFG) spectroscopy to investigate the chemical environment of hydrous species in the surface region of SLS float glass. SLS float glass shows sharp peaks in the OH stretching vibration region in SFG spectra, while the OH stretch peaks of glasses that do not have leachable sodium ions and the OH peaks of water molecules in condensed phases are normally broad due to fast hydrogen bonding dynamics. The hydrous species responsible for the sharp SFG peaks for the SLS float glass were found to be thermodynamically more stable than physisorbed water molecules, did not exchange with D2O, and were associated with the sodium concentration gradient in the dealkalized subsurface region. These results suggested that the hydrous species reside in static solvation shells defined by the silicate network with relatively slow hydrogen bonding dynamics, compared to physisorbed water layers on top of the glass surface. A putative radial distribution of the hydrous species within the SLS glass network was estimated based on the OH SFG spectral features, which could be compared with theoretical distributions calculated from computational simulations. PMID:27254814

  5. Vibrational Sum Frequency Generation Spectroscopy Study of Hydrous Species in Soda Lime Silica Float Glass.

    PubMed

    Luo, Jiawei; Banerjee, Joy; Pantano, Carlo G; Kim, Seong H

    2016-06-21

    It is generally accepted that the mechanical properties of soda lime silica (SLS) glass can be affected by the interaction between sodium ions and hydrous species (silanol groups and water molecules) in its surface region. While the amount of these hydrous species can be estimated from hydrogen profiles and infrared spectroscopy, their chemical environment in the glass network is still not well understood. This work employed vibrational sum frequency generation (SFG) spectroscopy to investigate the chemical environment of hydrous species in the surface region of SLS float glass. SLS float glass shows sharp peaks in the OH stretching vibration region in SFG spectra, while the OH stretch peaks of glasses that do not have leachable sodium ions and the OH peaks of water molecules in condensed phases are normally broad due to fast hydrogen bonding dynamics. The hydrous species responsible for the sharp SFG peaks for the SLS float glass were found to be thermodynamically more stable than physisorbed water molecules, did not exchange with D2O, and were associated with the sodium concentration gradient in the dealkalized subsurface region. These results suggested that the hydrous species reside in static solvation shells defined by the silicate network with relatively slow hydrogen bonding dynamics, compared to physisorbed water layers on top of the glass surface. A putative radial distribution of the hydrous species within the SLS glass network was estimated based on the OH SFG spectral features, which could be compared with theoretical distributions calculated from computational simulations.

  6. Molecular Detection of a Potentially Toxic Diatom Species

    PubMed Central

    Dhar, Bidhan Chandra; Cimarelli, Lucia; Singh, Kumar Saurabh; Brandi, Letizia; Brandi, Anna; Puccinelli, Camilla; Marcheggiani, Stefania; Spurio, Roberto

    2015-01-01

    A few diatom species produce toxins that affect human and animal health. Among these, members of the Pseudo-nitzschia genus were the first diatoms unambiguously identified as producer of domoic acid, a neurotoxin affecting molluscan shell-fish, birds, marine mammals, and humans. Evidence exists indicating the involvement of another diatom genus, Amphora, as a potential producer of domoic acid. We present a strategy for the detection of the diatom species Amphora coffeaeformis based on the development of species-specific oligonucleotide probes and their application in microarray hybridization experiments. This approach is based on the use of two marker genes highly conserved in all diatoms, but endowed with sufficient genetic divergence to discriminate diatoms at the species level. A region of approximately 450 bp of these previously unexplored marker genes, coding for elongation factor 1-a (eEF1-a) and silicic acid transporter (SIT), was used to design oligonucleotide probes that were tested for specificity in combination with the corresponding fluorescently labeled DNA targets. The results presented in this work suggest a possible use of this DNA chip technology for the selective detection of A. coffeaeformis in environmental settings where the presence of this potential toxin producer may represent a threat to human and animal health. In addition, the same basic approach can be adapted to a wider range of diatoms for the simultaneous detection of microorganisms used as biomarkers of different water quality levels. PMID:25955528

  7. Ion scattering and electron spectroscopy of the chemical species at a HF-prepared Si(211) surface

    SciTech Connect

    Jaime-Vasquez, M.; Martinka, M.; Groenert, M.; Dinan, J.

    2006-01-16

    The species and the nature of their chemical bonds at the surface of a hydrogen-terminated Si(211) wafer were characterized using temperature desorption spectroscopy, ion scattering spectroscopy, and electron spectroscopy. The surface region is dominated by monohydride species with dihydrides present in small amounts. Fluorine is distributed across the top layer as largely a physisorbed species to the Si substrate. Low-energy {sup 3}He{sup +} ions remove the H and F species with only minimal damage to the underlying region.

  8. Laser photoacoustic spectroscopy helps fight terrorism: High sensitivity detection of chemical Warfare Agent and explosives

    NASA Astrophysics Data System (ADS)

    Patel, C. K. N.

    2008-01-01

    Tunable laser photoacoustic spectroscopy is maturing rapidly in its applications to real world problems. One of the burning problems of the current turbulent times is the threat of terrorist acts against civilian population. This threat appears in two distinct forms. The first is the potential release of chemical warfare agents (CWA), such as the nerve agents, in a crowded environment. An example of this is the release of Sarin by Aum Shinrikyo sect in a crowded Tokyo subway in 1995. An example of the second terrorist threat is the ever-present possible suicide bomber in crowded environment such as airports, markets and large buildings. Minimizing the impact of both of these threats requires early detection of the presence of the CWAs and explosives. Photoacoustic spectroscopy is an exquisitely sensitive technique for the detection of trace gaseous species, a property that Pranalytica has extensively exploited in its CO2 laser based commercial instrumentation for the sub-ppb level detection of a number of industrially important gases including ammonia, ethylene, acrolein, sulfur hexafluoride, phosphine, arsine, boron trichloride and boron trifluoride. In this presentation, I will focus, however, on our recent use of broadly tunable single frequency high power room temperature quantum cascade lasers (QCL) for the detection of the CWAs and explosives. Using external grating cavity geometry, we have developed room temperature QCLs that produce continuously tunable single frequency CW power output in excess of 300 mW at wavelengths covering 5 μm to 12 μm. I will present data that show a CWA detection capability at ppb levels with false alarm rates below 1:108. I will also show the capability of detecting a variety of explosives at a ppb level, again with very low false alarm rates. Among the explosives, we have demonstrated the capability of detecting homemade explosives such as triacetone triperoxide and its liquid precursor, acetone which is a common household

  9. Modelling occurrence and abundance of species when detection is imperfect

    USGS Publications Warehouse

    Royle, J. Andrew; Nichols, J.D.; Kery, M.

    2005-01-01

    Relationships between species abundance and occupancy are of considerable interest in metapopulation biology and in macroecology. Such relationships may be described concisely using probability models that characterize variation in abundance of a species. However, estimation of the parameters of these models in most ecological problems is impaired by imperfect detection. When organisms are detected imperfectly, observed counts are biased estimates of true abundance, and this induces bias in stated occupancy or occurrence probability. In this paper we consider a class of models that enable estimation of abundance/occupancy relationships from counts of organisms that result from surveys in which detection is imperfect. Under such models, parameter estimation and inference are based on conventional likelihood methods. We provide an application of these models to geographically extensive breeding bird survey data in which alternative models of abundance are considered that include factors that influence variation in abundance and detectability. Using these models, we produce estimates of abundance and occupancy maps that honor important sources of spatial variation in avian abundance and provide clearly interpretable characterizations of abundance and occupancy adjusted for imperfect detection.

  10. Detecting and Segregating Black Tip-Damaged Wheat Kernels Using Visible and Near Infrared Spectroscopy

    Technology Transfer Automated Retrieval System (TEKTRAN)

    Detection of individual wheat kernels with black tip symptom (BTS) and black tip damage (BTD) was demonstrated using near infrared reflectance spectroscopy (NIRS) and silicon light-emitting-diode (LED) based instruments. The two instruments tested, a single kernel near-infrared spectroscopy instrume...

  11. Detection of Bacillus spores within 15 minutes by surface-enhanced Raman spectroscopy

    NASA Astrophysics Data System (ADS)

    Shende, Chetan; Inscore, Frank; Huang, Hermes; Farquharson, Stuart; Sengupta, Atanu

    2012-06-01

    Since the distribution of Bacillus anthracis causing spores through the US Postal System, there has been a persistent fear that biological warfare agents (BWAs) will be used by terrorists against our military abroad and our civilians at home. Despite the substantial effort to develop BWA analyzers, they remain either too slow, produce high falsealarm rates, lack sensitivity, or cannot be fielded. Consequently there remains a need for a portable analyzer that can overcome these limitations as expressed at the 2011 Biological Weapons Convention. To meet this need we have been developing a sample system that selectively binds BWAs and produce surface-enhanced Raman (SER) spectra using portable Raman spectrometers. Here we describe the use of a short peptide ligand functionalized on silver nanoparticles to selectively capture Bacillus cereus spores (a surrogate of B. anthracis) and their subsequent detection by SER spectroscopy. This technique was used to specifically detect B. cereus spores over closely related species like B. subtilis belonging to the same genus within 15 minutes. Sensitivity of the method was demonstrated by detecting 104 B. cereus spores/mL of water. The technology, once developed should prove invaluable for rapid monitoring of BWAs, which will immensely help first responders and emergency personnel in implementing appropriate counter measures.

  12. Melamine detection using phase-shift fiber-loop ring-down spectroscopy

    NASA Astrophysics Data System (ADS)

    Zhou, Xinlei; Wang, Xinhui; Chen, Ke; Mao, Xuefeng; Peng, Wei; Yu, Qingxu

    2014-12-01

    Melamine is an illegal adulteration in milk, infant formula and pet food. Its misuse is toxic to humans and animals, so rapid and reliable screening methods for melamine detection are essential. In this paper, a phase-shift fiber-loop ring-down spectroscopy (PS-FLRDS)-based system is developed and evaluated for the detection and quantification of melamine. In the PS-FLRDS technique, an intensity-modulated continuous-wave (CW) laser is used as the light source, and a phase shift between the incident and emitted light of the fiber loop is introduced due to losses caused by the fiber loop and absorbing sample. By measuring this phase shift, one can readily obtain the concentration information of the measured species. Phase shifts of melamine solutions with different concentrations are measured and the experimental results show that there is a good linear relationship between the phase shift and the melamine concentration in low concentration range and a detection limit of 0.03 mg/mL has been achieved.

  13. Raman spectroscopy-based detection of chemical contaminants in food powders

    Technology Transfer Automated Retrieval System (TEKTRAN)

    Raman spectroscopy technique has proven to be a reliable method for qualitative detection of chemical contaminants in food ingredients and products. For quantitative imaging-based detection, each contaminant particle in a food sample must be detected and it is important to determine the necessary sp...

  14. Cavity Enhanced absorption spectroscopy with an Optical Comb: Detection of atmospheric radicals in the near UV.

    NASA Astrophysics Data System (ADS)

    Méjean, G.; Kassi, S.; Romanini, D.

    2009-04-01

    The atmospheric chemistry community suffers a lack of fast, reliable and space resolved measurement for a wide set of very reactive molecules (e.g. radicals such as OH, NO3, BrO, IO, etc.). Due to their high reactivity, these molecules largely control the lifetime and concentration of numerous key atmospheric species. The concentrations of radicals are extremely low (ppbv or less) and highly variable in time and space. Measuring their concentration is often extremely laborious, expensive and requires heavy equipment (chemical sampling and treatment followed by mass spectrometry and/or chromatography). We recently introduced an optical spectroscopy technique based on a femtosecond laser oscillator, "Mode-Locked Cavity-Enhanced Absorption Spectroscopy", that we propose to develop into an instrument for in situ measurement of local concentration of traces of reactive molecules [1-3]. We have already demonstrated the possibility of measuring part in 1E12 by volume concentrations of radicals of high atmospheric interest, such as IO or BrO [4], as needed for monitoring these species in the environment. We apply cavity-enhanced absorption spectroscopy in the near UV range using a frequency-doubled Ti:Sa modelocked femtosecond laser. Efficient broadband injection of a high finesse cavity is obtained by matching this optical frequency-comb source to the comb of cavity transmission resonances. A grating spectrograph and a detector array disperse and detect the spectrum transmitted by the cavity carrying the absorption features of intracavity molecules. IO traces were obtained by mixing together controlled flows of gaseous iodine and ozone inside a high finesse cavity (F~6000). A Chameleon Ultra II ML-Laser (gracefully lent during 1 month by Coherent Inc.) was frequency doubled to address an absorption band of IO at 436 nm. A locking scheme allowed the cavity transmission to be smooth and stable. The transmitted light was dispersed using a high resolution (0.07nm) grating

  15. Detecting Counterfeit Antimalarial Tablets by Near-Infrared Spectroscopy

    Technology Transfer Automated Retrieval System (TEKTRAN)

    Counterfeit antimalarial drugs are found in many developing countries, but it is challenging to differentiate between genuine and fakes due to their increasing sophistication. Near-infrared spectroscopy (NIRS) is a powerful tool in pharmaceutical forensics, and we tested this technique for discrim...

  16. Study of the metabolism of flucytosine in Aspergillus species by sup 19 F nuclear magnetic resonance spectroscopy

    SciTech Connect

    Chouini-Lalanne, N.; Malet-Martino, M.C.; Martino, R.; Michel, G. )

    1989-11-01

    The metabolism of flucytosine (5FC) in two Aspergillus species (Aspergillus fumigatus and A. niger) was investigated by 19F nuclear magnetic resonance spectroscopy. In intact mycelia, 5FC was found to be deaminated to 5-fluorouracil and then transformed into fluoronucleotides; the catabolite alpha-fluoro-beta-alanine was also detected in A. fumigatus. Neither 5-fluoroorotic acid nor 5-fluoro-2'-deoxyuridine-5'-monophosphate was detected in perchloric acid extracts after any incubation with 5FC. 5FC, 5-fluorouracil, and the classical fluoronucleotides 5-fluorouridine-5'-mono-, di-, and triphosphates were identified in the acid-soluble pool. Two hydrolysis products of 5-fluorouracil incorporated into RNA, 5-fluorouridine-2'-monophosphate and 5-fluorouridine-3'-monophosphate, were found in the acid-insoluble pool. No significant differences in the metabolic transformation of 5FC were noted in the two species of Aspergillus. The main pathway of 5FC metabolism in the two species of Aspergillus studied is thus the biotransformation into ribofluoronucleotides and the subsequent incorporation of 5-fluorouridine-5'-triphosphate into RNA.

  17. Physiological and pathophysiological reactive oxygen species as probed by EPR spectroscopy: the underutilized research window on muscle ageing.

    PubMed

    A Abdel-Rahman, Engy; Mahmoud, Ali M; Khalifa, Abdulrahman M; Ali, Sameh S

    2016-08-15

    Reactive oxygen and nitrogen species (ROS and RNS) play crucial roles in triggering, mediating and regulating physiological and pathophysiological signal transduction pathways within the cell. Within the cell, ROS efflux is firmly controlled both spatially and temporally, making the study of ROS dynamics a challenging task. Different approaches have been developed for ROS assessment; however, many of these assays are not capable of direct identification or determination of subcellular localization of different ROS. Here we highlight electron paramagnetic resonance (EPR) spectroscopy as a powerful technique that is uniquely capable of addressing questions on ROS dynamics in different biological specimens and cellular compartments. Due to their critical importance in muscle functions and dysfunction, we discuss in some detail spin trapping of various ROS and focus on EPR detection of nitric oxide before highlighting how EPR can be utilized to probe biophysical characteristics of the environment surrounding a given stable radical. Despite the demonstrated ability of EPR spectroscopy to provide unique information on the identity, quantity, dynamics and environment of radical species, its applications in the field of muscle physiology, fatiguing and ageing are disproportionately infrequent. While reviewing the limited examples of successful EPR applications in muscle biology we conclude that the field would greatly benefit from more studies exploring ROS sources and kinetics by spin trapping, protein dynamics by site-directed spin labelling, and membrane dynamics and global redox changes by spin probing EPR approaches. PMID:26801204

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

    NASA Astrophysics Data System (ADS)

    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.

  19. Detection of liquid hazardous molecules using linearly focused Raman spectroscopy

    NASA Astrophysics Data System (ADS)

    Cho, Soo Gyeong; Chung, Jin Hyuk

    2013-05-01

    In security, it is an important issue to analyze hazardous materials in sealed bottles. Particularly, prompt nondestructive checking of sealed liquid bottles in a very short time at the checkpoints of crowded malls, stadiums, or airports is of particular importance to prevent probable terrorist attack using liquid explosives. Aiming to design and fabricate a detector for liquid explosives, we have used linearly focused Raman spectroscopy to analyze liquid materials in transparent or semi-transparent bottles without opening their caps. Continuous lasers with 532 nm wavelength and 58 mW/130 mW beam energy have been used for the Raman spectroscopy. Various hazardous materials including flammable liquids and explosive materials have successfully been distinguished and identified within a couple of seconds. We believe that our technique will be one of suitable methods for fast screening of liquid materials in sealed bottles.

  20. Detection of drugs of abuse by Raman spectroscopy.

    PubMed

    West, Matthew J; Went, Michael J

    2011-09-01

    Raman spectroscopy can provide rapid, sensitive, non-destructive analysis of a variety of drug types (e.g. amphetamines, alkaloids, designer drugs, and date rape drugs). This review concentrates on developments in the past 15 years. It considers identification and quantification of drugs of abuse in different types of forensic evidence, including bulk street drugs as well as traces found in drinks, on fibres/clothing, in fingerprints, on fingernails, on bank notes, and in body fluids. PMID:21960539

  1. Frequency Modulation Spectroscopy Modeling for Remote Chemical Detection

    SciTech Connect

    Sheen, David M.

    2000-09-30

    Frequency modulation (FM) spectroscopy techniques show promise for active infrared remote chemical sensing. FM spectroscopy techniques have reduced sensitivity to optical and electronic noise, and are relatively immune to the effects of various electronic and mechanical drifts. FM systems are responsive to sharp spectral features and can therefore reduce the effects of spectral clutter due to interfering chemicals in the plume or in the atmosphere. The relatively high modulation frequencies used for FM also reduces the effects of albedo (reflectance) and plume variations. Conventional differential absorption lidar (DIAL) systems are performance limited by the noise induced by speckle. Analysis presented in this report shows that FM based sensors may reduce the effects of speckle by one to two orders of magnitude. This can result in reduced dwell times and faster area searches, as well as reducing various forms of spatial clutter. FM systems will require a laser system that is continuously tunable at relatively high frequencies (0.1 to 20 MHz). One promising candidate is the quantum-cascade (QC) laser [1, 2]. The QC laser is potentially capable of power levels on the order of 1 Watt and frequency tuning on the order of 3 - 6 GHz, which is the performance level required for FM spectroscopy based remote sensing. In this report we describe a high-level numerical model for an FM spectroscopy based remote sensing system, and application to two unmanned airborne vehicle (UAV) scenarios. A Predator scenario operating at a slant range of 6.5 km with a 10 cm diameter telescope, and a Global Hawk scenario operating at a range of 30 km with a 20 cm diameter telescope, has been assumed to allow estimation of the performance of potential FM systems.

  2. Detection of biosignatures in silicified rocks using Raman spectroscopy

    NASA Astrophysics Data System (ADS)

    Foucher, F.; Westall, F.

    2013-09-01

    In this study, we demonstrate the usefulness of Raman spectroscopy, and in particular Raman mapping, as a very powerful tool for the study of both organic matter and minerals associated with silicified biological remains. Our investigations concern silicified organic matter, microorganisms and biological remains of various origins and ages, ranging from the metacherts of Isua, Greenland, 3.8 Ga, to silicified wood from the Petrified Forest National Park, Arizona, USA, 225 Ma.

  3. Detection of bacterial endospores by means of ultrafast coherent Raman spectroscopy

    NASA Astrophysics Data System (ADS)

    Pestov, Dmitry Sergeyevich

    This work is devoted to formulation and development of a laser spectroscopic technique for rapid detection of biohazards, such as Bacillus anthracis spores. Coherent anti-Stokes Raman scattering (CARS) is used as an underlying process for active retrieval of species-specific characteristics of an analyte. Vibrational modes of constituent molecules are Raman-excited by a pair of ultrashort, femtosecond laser pulses, and then probed through inelastic scattering of a third, time-delayed laser field. We first employ the already known time-resolved CARS technique. We apply it to the spectroscopy of easy-to-handle methanol-water mixtures, and then continue building our expertise on solutions of dipicolinic acid (DPA) and its salts, which happen to be marker molecules for bacterial spores. Various acquisition schemes are evaluated, and the preference is given to multi-channel frequency-resolved detection, when the whole CARS spectrum is recorded as a function of the probe pulse delay. We demonstrate a simple detection algorithm that manages to differentiate DPA solution from common interferents. We investigate experimentally the advantages and disadvantages of near-resonant probing of the excited molecular coherence, and finally observe the indicative backscattered CARS signal from DPA and NaDPA powders. The possibility of selective Raman excitation via pulse shaping of the preparation pulses is also demonstrated. The analysis of time-resolved CARS experiments on powders and B. subtilis spores, a harmless surrogate for B. anthracis, facilitates the formulation of a new approach, where we take full advantage of the multi-channel frequency-resolved acquisition and spectrally discriminate the Raman-resonant CARS signal from the background due to other instantaneous four-wave mixing (FWM) processes. Using narrowband probing, we decrease the magnitude of the nonresonant FWM, which is further suppressed by the timing of the laser pulses. The devised technique, referred to as

  4. Biomimetic/Optical Sensors for Detecting Bacterial Species

    NASA Technical Reports Server (NTRS)

    Homer, Margie; Ksendzov, Alexander; Yen, Shiao-Pin; Ryan, Margaret; Lazazzera, Beth

    2006-01-01

    Biomimetic/optical sensors have been proposed as means of real-time detection of bacteria in liquid samples through real-time detection of compounds secreted by the bacteria. Bacterial species of interest would be identified through detection of signaling compounds unique to those species. The best-characterized examples of quorum-signaling compounds are acyl-homoserine lactones and peptides. Each compound, secreted by each bacterium of an affected species, serves as a signal to other bacteria of the same species to engage in a collective behavior when the population density of that species reaches a threshold level analogous to a quorum. A sensor according to the proposal would include a specially formulated biomimetic film, made of a molecularly imprinted polymer (MIP), that would respond optically to the signaling compound of interest. The MIP film would be integrated directly onto an opticalwaveguide- based ring resonator for optical readout. Optically, the sensor would resemble the one described in Chemical Sensors Based on Optical Ring Resonators (NPO-40601), NASA Tech Briefs, Vol. 29, No. 10 (October 2005), page 32. MIPs have been used before as molecular- recognition compounds, though not in the manner of the present proposal. Molecular imprinting is an approach to making molecularly selective cavities in a polymer matrix. These cavities function much as enzyme receptor sites: the chemical functionality and shape of a cavity in the polymer matrix cause the cavity to bind to specific molecules. An MIP matrix is made by polymerizing monomers in the presence of the compound of interest (template molecule). The polymer forms around the template. After the polymer solidifies, the template molecules are removed from the polymer matrix by decomplexing them from their binding sites and then dissolving them, leaving cavities that are matched to the template molecules in size, shape, and chemical functionality. The cavities thus become molecular-recognition sites

  5. InstantLabs® Salmonella species detection method: matrix extension.

    PubMed

    Sharma, Neil; Bambusch, Lauren; Le, Thu; Morey, Amit; Hayman, Melinda; Montez, Sergio J

    2014-01-01

    The performance of InstantLabs® Salmonella Species Food Safety Kit to detect Salmonella in four food matrixes was validated against the International Organization for Standardization (ISO) reference method 6579:2002. The matrixes (raw ground beef, raw chicken breast, raw ground chicken, and lettuce) were inoculated with low levels of Salmonella (<1 CFU/test portion) to generate fractional positives (5-15) in 20 inoculated samples. These matrixes were co-inoculated with Escherichia coli O157:H7 at two to five times the level of Salmonella. Samples were validated using 375 g (meat) or 25 g (lettuce and poultry) test portions enriched in FASTGRO TM SE at 42±1 °C for 12 h and 10 h, respectively. All samples were confirmed using the ISO reference method, regardless of initial-screen result. The InstantLabs test method was shown to perform as well as or better than the reference method for the detection of Salmonella species in ground beef, chicken breast, ground chicken, and lettuce. Inclusivity and exclusivity testing revealed no false negatives among the 100 Salmonella serovars and no false positives among the 30 non-Salmonella species examined, respectively.

  6. Detection of Naegleria Species in Environmental Samples from Peninsular Malaysia

    PubMed Central

    Ithoi, Init; Ahmad, Arine Fadzlun; Nissapatorn, Veeranoot; Lau, Yee Ling; Mahmud, Rohela; Mak, Joon Wah

    2011-01-01

    Background In Malaysia, researchers and medical practitioners are unfamiliar with Naegleria infections. Thus little is known about the existence of pathogenic Naegleria fowleri, and the resultant primary amoebic meningoencephalitis (PAM) is seldom included in the differential diagnosis of central nervous system infections. This study was conducted to detect the presence of Naegleria species in various environmental samples. Methods/Findings A total of 41 Naegleria-like isolates were isolated from water and dust samples. All these isolates were subjected to PCR using two primer sets designed from the ITS1-ITS2 regions. The N. fowleri species-specific primer set failed to produce the expected amplicon. The Naegleria genus-specific primers produced amplicons of 408 bp (35), 450 bp (2), 457 bp (2) or 381 bp (2) from all 41 isolates isolated from aquatic (33) and dust (8) samples. Analysis of the sequences from 10 representative isolates revealed that amplicons with fragments 408, 450 and 457 bp showed homology with non-pathogenic Naegleria species, and 381 bp showed homology with Vahlkampfia species. These results concurred with the morphological observation that all 39 isolates which exhibited flagella were Naegleria, while 2 isolates (AC7, JN034055 and AC8, JN034056) that did not exhibit flagella were Vahlkampfia species. Conclusion To date, pathogenic species of N. fowleri have not been isolated from Malaysia. All 39 isolates that produced amplicons (408, 450 and 457 bp) from the genus-specific primers were identified as being similar to nonpathogenic Naegleria. Amplicon 408 bp from 5 representative isolates showed 100% and 99.7% identity to Naegleria philippinensis isolate RJTM (AM167890) and is thus believed to be the most common species in our environment. Amplicons 450 bp and 457 bp were respectively believed to be from 2 new species of Naegleria, since representative isolates showed lower homology and had a longer base pair length when compared to the reference

  7. Colorimetric detection of mercury species based on functionalized gold nanoparticles.

    PubMed

    Chen, Ling; Li, Jinhua; Chen, Lingxin

    2014-09-24

    The speciation analysis of heavy metal pollutants is very important because different species induce different toxicological effects. Nanomaterial-assisted optical sensors have achieved rapid developments, displaying wide applications to heavy metal ions but few to metal speciation analysis. In this work, a novel colorimetric nanosensor strategy for mercury speciation was proposed for the first time, based on the analyte-induced aggregation of gold nanoparticles (Au NPs) with the assistance of a thiol-containing ligand of diethyldithiocarbamate (DDTC). Upon the addition of mercury species, because Hg-DDTC was more stable than Cu-DDTC, a place-displacement between Hg species and Cu(2+) would occur, and thereby the functionalized Au NPs would aggregate, resulting in a color change. Moreover, by virtue of the masking effect of ethylenediaminetetraacetic acid (EDTA), the nanosensor could readily discriminate organic mercury and inorganic mercury (Hg(2+)), and it is thus anticipated to shed some light on the colorimetric sensing of organic mercury. So, a direct, simple colorimetric assay for selective determination of Hg species was obtained, presenting high detectability, such as up to 10 nM for Hg(2+) and 15 nM for methylmercury. Meanwhile, the strategy offered excellent selectivity toward mercury species against other metal ions. The simple, rapid, and sensitive label-free colorimetric sensor for the determination of Hg species provided an attractive alternative to conventional methods, which usually involve sophisticated instruments, complicated processes, and long periods of time. More importantly, by using mercury as a model, an excellent nanomaterial-based optical sensing platform can be developed for speciation analysis of trace heavy metals, which can lead to nanomaterials stability change through smart functionalization and reasonable interactions.

  8. Quantitative degenerate four-wave mixing spectroscopy: Probes for molecular species

    SciTech Connect

    Farrow, R.; Rakestraw, D.; Paul, P.; Lucht, R.; Danehy, P.; Friedman-Hill, E.; Germann, G.

    1993-12-01

    Resonant degenerate four-wave mixing (DFWM) is currently the subject of intensive investigation as a sensitive diagnostic tool for molecular species. DFWM has the advantage of generating a coherent (beam-like) signal which results in null-background detection and provides excellent immunity to background-light interference. Since multiple one-photon resonances are involved in the signal generation process, the DFWM technique can allow sensitive detection of molecules via electronic, vibrational or rotational transitions. These properties combine to make DFWM a widely applicable diagnostic technique for the probing of molecular species. The authors are conducting fundamental and applied investigations of DFWM for quantitative measurements of trace species in reacting gases. During the past year, efforts have been focussed in two areas: (1) understanding the effects of collisional processes on the DFWM signal generation process, and (2) exploring the applicability of infrared DFWM to detect polyatomic molecules via rovibrational transitions.

  9. Discrimination of the Acinetobacter calcoaceticus-Acinetobacter baumannii complex species by Fourier transform infrared spectroscopy.

    PubMed

    Sousa, C; Silva, L; Grosso, F; Nemec, A; Lopes, J; Peixe, L

    2014-08-01

    The main goal of this work was to assess the ability of Fourier transform infrared spectroscopy with attenuated total reflectance (FTIR-ATR) to discriminate between the species of the Acinetobacter calcoaceticus-Acinetobacter baumannii (Acb) complex, i.e. A. baumannii, A. nosocomialis, A. pittii, A. calcoaceticus, genomic species "Between 1 and 3" and genomic species "Close to 13TU". A total of 122 clinical isolates of the Acb complex previously identified by rpoB sequencing were studied. FTIR-ATR spectra was analysed by partial least squares discriminant analysis (PLSDA) and the model scores were presented in a dendrogram form. This spectroscopic technique proved to be effective in the discrimination of the Acb complex species, with sensitivities from 90 to 100%. Moreover, a flowchart aiming to help with species identification was developed and tested with 100% correct predictions for A. baumannii, A. nosocomialis and A. pittii test isolates. This rapid, low cost and environmentally friendly technique proved to be a reliable alternative for the identification of these closely related Acinetobacter species that share many clinical and epidemiological characteristics and are often difficult to distinguish. Its validation towards application on a routine basis could revolutionise high-throughput bacterial identification.

  10. Monitoring and trace detection of hazardous waste and toxic chemicals using resonance Raman spectroscopy

    SciTech Connect

    Sedlacek, A.J. III; Dougherty, D.R.; Chen, C.L.

    1993-04-01

    Raman scattering is a coherent, inelastic, two-photon process, which shifts the frequency of an outgoing photon according to the vibrational structure of the irradiated species, thereby providing a unique fingerprint of the molecule. When involving an allowed electronic transition (resonance Raman), this scattering cross section can be enhanced by 10{sup 4} to 10{sup 6} and provides the basis for a viable technique that can monitor and detect trace quantities of hazardous wastes and toxic chemicals. Resonance Raman spectroscopy (RRS) possesses many of the ideal characteristics for monitoring and detecting of hazardous waste and toxic chemicals. Some of these traits are: (1) very high selectivity (chemical specific fingerprints); (2) independence from the excitation wavelength (ability to monitor in the solar blind region); (3) chemical mixture fingerprints are the sum of its individual components (no spectral cross-talk); (4) near independence of the Raman fingerprint to its physical state (very similar spectra for gas, liquid, solid and solutions -- either bulk or aerosols); and (5) insensitivity of the Raman signature to environmental conditions (no quenching). Data from a few chemicals will be presented which illustrate these features. In cases where background fluorescence accompanies the Raman signals, an effective frequency modulation technique has been developed, which can completely eliminate this interference.

  11. Monitoring and trace detection of hazardous waste and toxic chemicals using resonance Raman spectroscopy

    SciTech Connect

    Sedlacek, A.J. III; Dougherty, D.R.; Chen, C.L.

    1993-01-01

    Raman scattering is a coherent, inelastic, two-photon process, which shifts the frequency of an outgoing photon according to the vibrational structure of the irradiated species, thereby providing a unique fingerprint of the molecule. When involving an allowed electronic transition (resonance Raman), this scattering cross section can be enhanced by 10[sup 4] to 10[sup 6] and provides the basis for a viable technique that can monitor and detect trace quantities of hazardous wastes and toxic chemicals. Resonance Raman spectroscopy (RRS) possesses many of the ideal characteristics for monitoring and detecting of hazardous waste and toxic chemicals. Some of these traits are: (1) very high selectivity (chemical specific fingerprints); (2) independence from the excitation wavelength (ability to monitor in the solar blind region); (3) chemical mixture fingerprints are the sum of its individual components (no spectral cross-talk); (4) near independence of the Raman fingerprint to its physical state (very similar spectra for gas, liquid, solid and solutions -- either bulk or aerosols); and (5) insensitivity of the Raman signature to environmental conditions (no quenching). Data from a few chemicals will be presented which illustrate these features. In cases where background fluorescence accompanies the Raman signals, an effective frequency modulation technique has been developed, which can completely eliminate this interference.

  12. FT-Raman spectroscopy of the Candelaria and Pyxine lichen species: A new molecular structural study

    NASA Astrophysics Data System (ADS)

    Fernandes, Rafaella F.; Ferreira, Gilson R.; Spielmann, Adriano A.; Edwards, Howell G. M.; de Oliveira, Luiz Fernando C.

    2015-12-01

    In this work the chemistry of the lichens Candelaria fibrosa and Pyxine coccifera have been investigated for the first time using FT-Raman spectroscopy with the help of quantum mechanical DFT calculations to support spectral band assignments. The non-destructive spectral vibrational analysis provided evidence for the presence of pulvinic acid derivatives and conjugated polyenes, which probably belong to a carotenoid with characteristic signatures at ca. 1003, 1158 and 1525 cm-1 assigned respectively to δ(C-CH3), ν(C-C) and ν(Cdbnd C) modes. The identification of features arising from chiodectonic acid in the Pyxine species and calycin and pulvinic dilactone pigments in C. fibrosa were assisted by the quantum mechanical DFT calculations. Raman spectroscopy can provide important spectroscopic data for the identification of the biomarker spectral signatures nondestructively for these lichen pigments without the need for chemical extraction processes.

  13. From Traditional Resource to Global Commodities:-A Comparison of Rhodiola Species Using NMR Spectroscopy-Metabolomics and HPTLC.

    PubMed

    Booker, Anthony; Zhai, Lixiang; Gkouva, Christina; Li, Shuyuan; Heinrich, Michael

    2016-01-01

    The fast developing international trade of products based on traditional knowledge and their value chains has become an important aspect of the ethnopharmacological debate. The structure and diversity of value chains and their impact on the phytochemical composition of herbal medicinal products, as well as the underlying government policies and regulations, have been overlooked in the debate about quality problems in transnational trade. Rhodiola species, including Rhodiola rosea L. and Rhodiola crenulata (Hook. f. & Thomson) H. Ohba, are used as traditional herbal medicines. Faced with resource depletion and environment destruction, R. rosea and R. crenulata are becoming endangered, making them more economically valuable to collectors and middlemen, and also increasing the risk of adulteration and low quality. Rhodiola products have been subject to adulteration and we recently assessed 39 commercial products for their composition and quality. However, the range of Rhodiola species potentially implicated has not been assessed. Also, the ability of selected analytical techniques in differentiating these species is not known yet. Using a strategy previously developed by our group, we compare the phytochemical differences among Rhodiola raw materials available on the market to provide a practical method for the identification of different Rhodiola species from Europe and Asia and the detection of potential adulterants. Nuclear magnetic resonance spectroscopy coupled with multivariate analysis software and high performance thin layer chromatography techniques were used to analyse the samples. Rosavin and rosarin were mainly present in R. rosea but also in Rosea sachalinensis Borris. 30% of the Rhodiola samples purchased from the Chinese market were adulterated by other Rhodiola spp. The utilization of a combined platform based on (1)H-NMR and HPTLC methods resulted in an integrated analysis of different Rhodiola species. We identified adulteration at the earliest stage

  14. Observation of halogen species in the Amundsen Gulf, Arctic, by active long-path differential optical absorption spectroscopy

    PubMed Central

    Pöhler, Denis; Vogel, Leif; Frieß, Udo; Platt, Ulrich

    2010-01-01

    In the polar tropospheric boundary layer, reactive halogen species (RHS) are responsible for ozone depletion as well as the oxidation of elemental mercury and dimethyl sulphide. After polar sunrise, air masses enriched in reactive bromine cover areas of several million square kilometers. Still, the source and release mechanisms of halogens are not completely understood. We report measurements of halogen oxides performed in the Amundsen Gulf, Arctic, during spring 2008. Active long-path differential optical absorption spectroscopy (LP-DOAS) measurements were set up offshore, several kilometers from the coast, directly on the sea ice, which was never done before. High bromine oxide concentrations were detected frequently during sunlight hours with a characteristic daily cycle showing morning and evening maxima and a minimum at noon. The, so far, highest observed average mixing ratio in the polar boundary layer of 41 pmol/mol (equal to pptv) was detected. Only short sea ice contact is required to release high amounts of bromine. An observed linear decrease of maximum bromine oxide levels with ambient temperature during sunlight, between -24 °C and -15 °C, provides indications on the conditions required for the emission of RHS. In addition, the data indicate the presence of reactive chlorine in the Arctic boundary layer. In contrast to Antarctica, iodine oxide was not detected above a detection limit of 0.3 pmol/mol. PMID:20160121

  15. Observation of halogen species in the Amundsen Gulf, Arctic, by active long-path differential optical absorption spectroscopy.

    PubMed

    Pöhler, Denis; Vogel, Leif; Friess, Udo; Platt, Ulrich

    2010-04-13

    In the polar tropospheric boundary layer, reactive halogen species (RHS) are responsible for ozone depletion as well as the oxidation of elemental mercury and dimethyl sulphide. After polar sunrise, air masses enriched in reactive bromine cover areas of several million square kilometers. Still, the source and release mechanisms of halogens are not completely understood. We report measurements of halogen oxides performed in the Amundsen Gulf, Arctic, during spring 2008. Active long-path differential optical absorption spectroscopy (LP-DOAS) measurements were set up offshore, several kilometers from the coast, directly on the sea ice, which was never done before. High bromine oxide concentrations were detected frequently during sunlight hours with a characteristic daily cycle showing morning and evening maxima and a minimum at noon. The, so far, highest observed average mixing ratio in the polar boundary layer of 41 pmol/mol (equal to pptv) was detected. Only short sea ice contact is required to release high amounts of bromine. An observed linear decrease of maximum bromine oxide levels with ambient temperature during sunlight, between -24 degrees C and -15 degrees C, provides indications on the conditions required for the emission of RHS. In addition, the data indicate the presence of reactive chlorine in the Arctic boundary layer. In contrast to Antarctica, iodine oxide was not detected above a detection limit of 0.3 pmol/mol. PMID:20160121

  16. Observation of halogen species in the Amundsen Gulf, Arctic, by active long-path differential optical absorption spectroscopy.

    PubMed

    Pöhler, Denis; Vogel, Leif; Friess, Udo; Platt, Ulrich

    2010-04-13

    In the polar tropospheric boundary layer, reactive halogen species (RHS) are responsible for ozone depletion as well as the oxidation of elemental mercury and dimethyl sulphide. After polar sunrise, air masses enriched in reactive bromine cover areas of several million square kilometers. Still, the source and release mechanisms of halogens are not completely understood. We report measurements of halogen oxides performed in the Amundsen Gulf, Arctic, during spring 2008. Active long-path differential optical absorption spectroscopy (LP-DOAS) measurements were set up offshore, several kilometers from the coast, directly on the sea ice, which was never done before. High bromine oxide concentrations were detected frequently during sunlight hours with a characteristic daily cycle showing morning and evening maxima and a minimum at noon. The, so far, highest observed average mixing ratio in the polar boundary layer of 41 pmol/mol (equal to pptv) was detected. Only short sea ice contact is required to release high amounts of bromine. An observed linear decrease of maximum bromine oxide levels with ambient temperature during sunlight, between -24 degrees C and -15 degrees C, provides indications on the conditions required for the emission of RHS. In addition, the data indicate the presence of reactive chlorine in the Arctic boundary layer. In contrast to Antarctica, iodine oxide was not detected above a detection limit of 0.3 pmol/mol.

  17. [Study of automatic marine oil spills detection using imaging spectroscopy].

    PubMed

    Liu, De-Lian; Han, Liang; Zhang, Jian-Qi

    2013-11-01

    To reduce artificial auxiliary works in oil spills detection process, an automatic oil spill detection method based on adaptive matched filter is presented. Firstly, the characteristics of reflectance spectral signature of C-H bond in oil spill are analyzed. And an oil spill spectral signature extraction model is designed by using the spectral feature of C-H bond. It is then used to obtain the reference spectral signature for the following oil spill detection step. Secondly, the characteristics of reflectance spectral signature of sea water, clouds, and oil spill are compared. The bands which have large difference in reflectance spectral signatures of the sea water, clouds, and oil spill are selected. By using these bands, the sea water pixels are segmented. And the background parameters are then calculated. Finally, the classical adaptive matched filter from target detection algorithms is improved and introduced for oil spill detection. The proposed method is applied to the real airborne visible infrared imaging spectrometer (AVIRIS) hyperspectral image captured during the deepwater horizon oil spill in the Gulf of Mexico for oil spill detection. The results show that the proposed method has, high efficiency, does not need artificial auxiliary work, and can be used for automatic detection of marine oil spill.

  18. [Quantitative Detection of Chinese Cabbage Clubroot Based on FTIR Spectroscopy].

    PubMed

    Wang, Wei-ping; Chai, A-li; Shi, Yan-xia; Xie, Xue-wen; Li, Bao-ju

    2015-05-01

    Clubroot, caused by Plasmodiophora brassicae, is considered the most devastating soilborne disease in Brassica crops. It has emerged as a serious disease threatening the cruciferous crop production industry in China. Nowadays, the detection techniques for P. brassicae are laborious, time-consuming and low sensitivity. Rapid and effective detection methods are needed. The objective of this study is to develop a Fourier transform infrared spectrometer (FTIR) technique for detection of P. brassicae effectively and accurately. FTIR and Real-time PCR techniques were applied in quantitative detection of P. brassicae. Chinese cabbages were inoculated with P. brassicae. By analyzing the FTIR spectra of P. brassicae, infected clubroots and healthy roots, three specific bands 1 105, 1 145 and 1 228 cm-1 were selected. According to the correlation between the peak areas at these sensitive bands and Real-time PCR Ct value, quantitative evaluation model of P. brassicae was established based on FTIR y=34. 17 +12. 24x - 9. 81x2 - 6. 05x3, r=0. 98 (p<0. 05). To validate accuracy of the model, 10 clubroot samples were selected randomly from field, and detected by FTIR spectrum model, the results showed that the average error is 1. 60%. This demonstrated that the FTIR technology is an available one for the quantitative detection of P. brassicae in clubroot, and it provides a new method for quantitative and quickly detection of Chinese cabbage clubroot.

  19. New Borrelia species detected in ixodid ticks in Oromia, Ethiopia.

    PubMed

    Kumsa, Bersissa; Socolovschi, Cristina; Raoult, Didier; Parola, Philippe

    2015-04-01

    Little is known about Borrelia species transmitted by hard ticks in Ethiopia. The present study was conducted from November 2011 through March 2014 to address the occurrence and molecular identity of these bacteria in ixodid ticks infesting domestic animals in Oromia, Ethiopia. A total of 767 ixodid ticks collected from domestic animals were screened for Borrelia DNA by quantitative (q) real-time PCR followed by standard PCR and sequencing to identify the species. Overall, 3.8% (29/767) of the tested ticks were positive for Borrelia DNA, including 8/119 (6.7%) Amblyomma cohaerens, 1/42 (2.4%) Am. gemma, 3/53 (5.7%) Am. variegatum, 5/22 (22.7%) Amblyomma larvae, 3/60 (5%) Amblyomma nymphs, 2/139 (1.4%) Rhipicephalus (Boophilus) decoloratus, 2/31 (6.4%) Rh. decoloratus nymphs, and 5/118 (4.2%) Rh. pulchellus using 16S genus-specific qPCR. The prevalence of Borrelia DNA was significantly higher in genus Amblyomma (20/298, 6.7%) than in the genus Rhipicephalus (9/417, 2.1%) ticks (P=0.001). Sequencing of PCR products from the flaB and 16S rRNA genes of Borrelia spp. from Amblyomma ticks showed the presence of a new species between the relapsing fever and Lyme disease groups. However, Borrelia sp. detected in Rhipicephalus ticks clustered with B. theileri/B. lonestari. The human pathogenicity of the Borrelia sp. detected in Amblyomma ticks from Ethiopia has not yet been investigated, whereas the Borrelia sp. detected in Rhipicephalus ticks in our study is the causative agent of bovine borreliosis in cattle and may have veterinary importance in different parts of Ethiopia. Furthermore, the detection of previously unrecognized Borrelia species in Amblyomma and Rhipicephalus ticks in Ethiopia generates additional questions concerning the bacterial fauna in hard ticks and will prompt researchers to perform detailed studies for better understanding of ixodid ticks associated bacteria.

  20. New Borrelia species detected in ixodid ticks in Oromia, Ethiopia.

    PubMed

    Kumsa, Bersissa; Socolovschi, Cristina; Raoult, Didier; Parola, Philippe

    2015-04-01

    Little is known about Borrelia species transmitted by hard ticks in Ethiopia. The present study was conducted from November 2011 through March 2014 to address the occurrence and molecular identity of these bacteria in ixodid ticks infesting domestic animals in Oromia, Ethiopia. A total of 767 ixodid ticks collected from domestic animals were screened for Borrelia DNA by quantitative (q) real-time PCR followed by standard PCR and sequencing to identify the species. Overall, 3.8% (29/767) of the tested ticks were positive for Borrelia DNA, including 8/119 (6.7%) Amblyomma cohaerens, 1/42 (2.4%) Am. gemma, 3/53 (5.7%) Am. variegatum, 5/22 (22.7%) Amblyomma larvae, 3/60 (5%) Amblyomma nymphs, 2/139 (1.4%) Rhipicephalus (Boophilus) decoloratus, 2/31 (6.4%) Rh. decoloratus nymphs, and 5/118 (4.2%) Rh. pulchellus using 16S genus-specific qPCR. The prevalence of Borrelia DNA was significantly higher in genus Amblyomma (20/298, 6.7%) than in the genus Rhipicephalus (9/417, 2.1%) ticks (P=0.001). Sequencing of PCR products from the flaB and 16S rRNA genes of Borrelia spp. from Amblyomma ticks showed the presence of a new species between the relapsing fever and Lyme disease groups. However, Borrelia sp. detected in Rhipicephalus ticks clustered with B. theileri/B. lonestari. The human pathogenicity of the Borrelia sp. detected in Amblyomma ticks from Ethiopia has not yet been investigated, whereas the Borrelia sp. detected in Rhipicephalus ticks in our study is the causative agent of bovine borreliosis in cattle and may have veterinary importance in different parts of Ethiopia. Furthermore, the detection of previously unrecognized Borrelia species in Amblyomma and Rhipicephalus ticks in Ethiopia generates additional questions concerning the bacterial fauna in hard ticks and will prompt researchers to perform detailed studies for better understanding of ixodid ticks associated bacteria. PMID:25843811

  1. Detection of internal molecular structural motions using anisotropic spectroscopy

    NASA Astrophysics Data System (ADS)

    Singh, Rohit; George, Deepu; Korter, Timothy; Markelz, Andrea

    2012-02-01

    The far infrared spectroscopy of molecular crystals reveals both intra and inter molecular vibrational modes [1,2]. With the significant increase in complexity of structures, one finds increasing overlap in the internal modes. As an overall strategy to measure the correlated structural motions in protein, we use anisotropic and birefringent behavior of molecular crystals to develop a new technique called MOSTS (Modulated Orientation Sensitive THz Spectroscopy). We achieve high sensitivity and mode separation by using single molecular crystal such as sucrose and rapid modulation of the relative alignment of the terahertz polarization and the crystal axes by rotating the sample. By locking into the signal at the rotation frequency we determine the polarization sensitive signal and map out the optically active vibrational resonances. To illustrate the technique we compare our measured spectra with the calculated and find a close agreement. [4pt] [1] D.G. Allis, J.A. Zeitler, P.F.Taday and T.M.Korter, Chem. Phys. Lett., 463, 84 (2008).[0pt] [2] P.U. Jepsen and J.C. Stewart, Chem. Phys. Lett., 442, 275 (2007).

  2. Detection of hazardous chemicals using field-portable Raman spectroscopy

    NASA Astrophysics Data System (ADS)

    Wright, Cherylyn W.; Harvey, Scott D.; Wright, Bob W.

    2003-07-01

    A major challenge confronting emergency response, border control, and other security-related functions is the accurate, rapid, and safe identification of potentially hazardous chemicals outside a laboratory environment. Raman spectroscopy is a rapid, non-intrusive technique that can be used to confidently identify many classes of hazardous and potentially explosive compounds based on molecular vibration information. Advances in instrumentation now allow reliable field - portable measurements to be made. Before the Raman technique can be effectively applied and be accepted within the scientific community, realistic studies must be performed to develop methods, define limitations, and rigorously evaluate its effectiveness. Examples of a variety of chemicals (including neat and diluted chemical warfare [CW] agents, a CW agent precursor, a biological warfare (BW)-related compound, an illicit drug, and explosives) identified using Raman spectroscopy in various types of containers and on surfaces are given, as well as results from a blind field test of 29 unknown samples which included CW agent precursors and/or degradation products, solvents associated with CW agent production, pesticides, explosives, and BW toxins (mostly mycotoxins). Additionally, results of experimental studies to evaluate the analysis of flammable organic solvents, propellants, military explosives, mixtures containing military explosives, shock-sensitive explosives, and gun powders are described with safety guidelines. Spectral masks for screening unknown samples for explosives and nerve agents are given.

  3. Detecting Hydrogen Atoms in Solid Parahydrogen Using FTIR Spectroscopy

    NASA Astrophysics Data System (ADS)

    Anderson, David T.; Ruzi, Mahmut

    2012-06-01

    Our group is currently studying the 193.3 nm photochemistry of a number of precursor molecules isolated in solid parahydrogen (pH_2) using high-resolution FTIR spectroscopy. In photochemical studies of formic acid and ammonia, right after the photolysis laser is turned off, we observe metastable satellite peaks in close proximity to the strong rovibrational transition out of the ground state of the respective monomer photoproducts H_2O and NH_3. In both cases, there are two satellite peaks near the R(0) monomer transition. We have assigned these satellite features to H-H_2O and H-NH_3 radical clusters that form via reactions of the photoproduct with the pH_2 host. We will present IR spectroscopic studies of these two H-atom cluster systems that we hope to use in future photochemical studies to measure the concentration of H-atoms in our sample using FTIR spectroscopy. K. A. Kufeld, W. R. Wonderly, L. O. Paulson, S. C. Kettwich, and D. T. Anderson, J. Phys. Chem. Lett. 3, 342-347 (2012).

  4. Impedance spectroscopy for the detection and identification of unknown toxins

    NASA Astrophysics Data System (ADS)

    Riggs, B. C.; Plopper, G. E.; Paluh, J. L.; Phamduy, T. B.; Corr, D. T.; Chrisey, D. B.

    2012-06-01

    Advancements in biological and chemical warfare has allowed for the creation of novel toxins necessitating a universal, real-time sensor. We have used a function-based biosensor employing impedance spectroscopy using a low current density AC signal over a range of frequencies (62.5 Hz-64 kHz) to measure the electrical impedance of a confluent epithelial cell monolayer at 120 sec intervals. Madin Darby canine kidney (MDCK) epithelial cells were grown to confluence on thin film interdigitated gold electrodes. A stable impedance measurement of 2200 Ω was found after 24 hrs of growth. After exposure to cytotoxins anthrax lethal toxin and etoposide, the impedance decreased in a linear fashion resulting in a 50% drop in impedance over 50hrs showing significant difference from the control sample (~20% decrease). Immunofluorescent imaging showed that apoptosis was induced through the addition of toxins. Similarities of the impedance signal shows that the mechanism of cellular death was the same between ALT and etoposide. A revised equivalent circuit model was employed in order to quantify morphological changes in the cell monolayer such as tight junction integrity and cell surface area coverage. This model showed a faster response to cytotoxin (2 hrs) compared to raw measurements (20 hrs). We demonstrate that herein that impedance spectroscopy of epithelial monolayers serves as a real-time non-destructive sensor for unknown pathogens.

  5. Coherence specific signal detection via chiral pump-probe spectroscopy.

    PubMed

    Holdaway, David I H; Collini, Elisabetta; Olaya-Castro, Alexandra

    2016-05-21

    We examine transient circular dichroism (TRCD) spectroscopy as a technique to investigate signatures of exciton coherence dynamics under the influence of structured vibrational environments. We consider a pump-probe configuration with a linearly polarized pump and a circularly polarized probe, with a variable angle θ between the two directions of propagation. In our theoretical formalism the signal is decomposed in chiral and achiral doorway and window functions. Using this formalism, we show that the chiral doorway component, which beats during the population time, can be isolated by comparing signals with different values of θ. As in the majority of time-resolved pump-probe spectroscopy, the overall TRCD response shows signatures of both excited and ground state dynamics. However, we demonstrate that the chiral doorway function has only a weak ground state contribution, which can generally be neglected if an impulsive pump pulse is used. These findings suggest that the pump-probe configuration of optical TRCD in the impulsive limit has the potential to unambiguously probe quantum coherence beating in the excited state. We present numerical results for theoretical signals in an example dimer system.

  6. Coherence specific signal detection via chiral pump-probe spectroscopy.

    PubMed

    Holdaway, David I H; Collini, Elisabetta; Olaya-Castro, Alexandra

    2016-05-21

    We examine transient circular dichroism (TRCD) spectroscopy as a technique to investigate signatures of exciton coherence dynamics under the influence of structured vibrational environments. We consider a pump-probe configuration with a linearly polarized pump and a circularly polarized probe, with a variable angle θ between the two directions of propagation. In our theoretical formalism the signal is decomposed in chiral and achiral doorway and window functions. Using this formalism, we show that the chiral doorway component, which beats during the population time, can be isolated by comparing signals with different values of θ. As in the majority of time-resolved pump-probe spectroscopy, the overall TRCD response shows signatures of both excited and ground state dynamics. However, we demonstrate that the chiral doorway function has only a weak ground state contribution, which can generally be neglected if an impulsive pump pulse is used. These findings suggest that the pump-probe configuration of optical TRCD in the impulsive limit has the potential to unambiguously probe quantum coherence beating in the excited state. We present numerical results for theoretical signals in an example dimer system. PMID:27208941

  7. Reversal electron attachment ionizer for detection of trace species

    NASA Technical Reports Server (NTRS)

    Bernius, Mark T. (Inventor); Chutjian, Ara (Inventor)

    1989-01-01

    An in-line reversal electron, high-current ionizer capable of focusing a beam of electrons to a reversal region and executing a reversal of the electrons, such that the electrons possess zero kinetic energy at the point of reversal, may be used to produce both negative and positive ions. A sample gas is introduced at the point of electron reversal for low energy electron-(sample gas) molecule attachment with high efficiency. The attachment process produces negative ions from the sample gas, which includes species present in trace (minute) amounts. These ions are extracted efficiently and directed to a mass analyzer where they may be detected and identified. The generation and detection of positive ions is accomplished in a similar fashion with minimal adjustment to potentials applied to the apparatus.

  8. Reversal electron attachment ionizer for detection of trace species

    NASA Technical Reports Server (NTRS)

    Bernius, Mark T. (Inventor); Chutjian, Ara (Inventor)

    1990-01-01

    An in-line reversal electron, high-current ionizer capable of focusing a beam of electrons to a reversal region and executing a reversal of said electrons, such that the electrons possess zero kinetic energy at the point of reversal, may be used to produce both negative and positive ions. A sample gas is introduced at the point of electron reversal for low energy electron-(sample gas) molecule attachment with high efficiency. The attachment process produces negative ions from the sample gas, which includes species present in trace (minute) amounts. These ions are extracted efficiently and directed to a mass analyzer where they may be detected and identified. The generation and detection of positive ions is accomplished in a similar fashion with minimal adjustment to potentials applied to the apparatus.

  9. A parameter selection for Raman spectroscopy-based detection of chemical contaminants in food powders

    Technology Transfer Automated Retrieval System (TEKTRAN)

    Raman spectroscopy technique has proven to be a reliable method for detection of chemical contaminants in food ingredients and products. To detect each contaminant particle in a food sample, it is important to determine the effective depth of penetration of laser through the food sample and the corr...

  10. Application of resonance Raman spectroscopy as a nuclear proliferation detection technology

    SciTech Connect

    Sedlacek, A.J. III; Chen, C.L.; Dougherty, D.R.

    1993-03-01

    Resonance Raman spectroscopy (RRS) potentially possesses many of the characteristics of an ideal verification technology. Some of these ideal traits are: very high selectivity and specificity to allow the deconvolution of a mixture of the chemicals of interest, high sensitivity in order to measure a species at trace levels, high reliability and long-term durability, applicability to a wide range of chemicals capability for sensing in a variety of environmental conditions, independence of the physical state of the chemical capability for quantitative analysis, and finally, but no less important capability for full signal development within seconds. In this presentation, the potential of RRS as a detection/identification technology for chemicals pertinent to nuclear materials production and processing will be assessed. A review of the basic principles behind this technique, both theoretical and experimental, will be discussed along with some recent results obtained in this laboratory. Raman scattering is a coherent, inelastic, two-photon scattering process where an exciting photon of energy hv promotes a molecule to a virtual level and the subsequently emitted photon is shifted in frequency in accordance with the rotational-vibrational structure of the irradiated species, therefore providing a unique fingerprint of the molecule. The enhancement of a Raman signal occurs when the excitation frequency is isoenergetic with an allowed electronic transition. Under resonance conditions, scattering cross-sections have been enhanced up to 6 orders of magnitude, thereby allowing the measurement of resonance Raman spectra from concentrations as dilute as 20 ppb for PAHs (with the potential of pptr). In detection/verification programs, this condition translates to increased sensitivity (ppm/ppb) and increased probing distance (m/km).

  11. Application of resonance Raman spectroscopy as a nuclear proliferation detection technology

    SciTech Connect

    Sedlacek, A.J. III; Chen, C.L.; Dougherty, D.R.

    1993-01-01

    Resonance Raman spectroscopy (RRS) potentially possesses many of the characteristics of an ideal verification technology. Some of these ideal traits are: very high selectivity and specificity to allow the deconvolution of a mixture of the chemicals of interest, high sensitivity in order to measure a species at trace levels, high reliability and long-term durability, applicability to a wide range of chemicals capability for sensing in a variety of environmental conditions, independence of the physical state of the chemical capability for quantitative analysis, and finally, but no less important capability for full signal development within seconds. In this presentation, the potential of RRS as a detection/identification technology for chemicals pertinent to nuclear materials production and processing will be assessed. A review of the basic principles behind this technique, both theoretical and experimental, will be discussed along with some recent results obtained in this laboratory. Raman scattering is a coherent, inelastic, two-photon scattering process where an exciting photon of energy hv promotes a molecule to a virtual level and the subsequently emitted photon is shifted in frequency in accordance with the rotational-vibrational structure of the irradiated species, therefore providing a unique fingerprint of the molecule. The enhancement of a Raman signal occurs when the excitation frequency is isoenergetic with an allowed electronic transition. Under resonance conditions, scattering cross-sections have been enhanced up to 6 orders of magnitude, thereby allowing the measurement of resonance Raman spectra from concentrations as dilute as 20 ppb for PAHs (with the potential of pptr). In detection/verification programs, this condition translates to increased sensitivity (ppm/ppb) and increased probing distance (m/km).

  12. Detection of molecular oxygen at low concentrations using quartz enhanced photoacoustic spectroscopy.

    PubMed

    Pohlkötter, Andreas; Köhring, Michael; Willer, Ulrike; Schade, Wolfgang

    2010-01-01

    Molecular oxygen is detected at low concentrations using photoacoustic spectroscopy despite its unfavorable photoacoustic properties. The system consists of a seed laser diode, a tapered amplifier and a quartz tuning fork based spectrophone, thus employing quartz enhanced photoacoustic spectroscopy (QEPAS). With this system a detection limit of 13 ppm is reached with a compact and long term stable setup. Further improvement of the detection limit is possible by adding suitable gases to the sample gas that promote the radiationless de-excitation of the oxygen molecules. PMID:22163666

  13. Linearity of Air-Biased Coherent Detection for Terahertz Time-Domain Spectroscopy

    NASA Astrophysics Data System (ADS)

    Wang, Tianwu; Iwaszczuk, Krzysztof; Wrisberg, Emil Astrup; Denning, Emil Vosmar; Jepsen, Peter Uhd

    2016-06-01

    The performance of air-biased coherent detection (ABCD) in a broadband two-color laser-induced air plasma system for terahertz time-domain spectroscopy (THz-TDS) has been investigated. Fundamental parameters of the ABCD detection, including signal-to-noise ratio (SNR), dynamic range (DR), and linearity of detection have been characterized. Moreover, the performance of a photomultiplier tube (PMT) and an avalanche photodiode (APD) as photodetector in the ABCD have been compared. We have observed nonlinear behavior of PMT detector, which leads to artificial gain factor in TDS spectroscopy. The APD turns out to have superior linearity and three times higher dynamic compared to the PMT.

  14. Detection of Molecular Oxygen at Low Concentrations Using Quartz Enhanced Photoacoustic Spectroscopy

    PubMed Central

    Pohlkötter, Andreas; Köhring, Michael; Willer, Ulrike; Schade, Wolfgang

    2010-01-01

    Molecular oxygen is detected at low concentrations using photoacoustic spectroscopy despite its unfavorable photoacoustic properties. The system consists of a seed laser diode, a tapered amplifier and a quartz tuning fork based spectrophone, thus employing quartz enhanced photoacoustic spectroscopy (QEPAS). With this system a detection limit of 13 ppm is reached with a compact and long term stable setup. Further improvement of the detection limit is possible by adding suitable gases to the sample gas that promote the radiationless de-excitation of the oxygen molecules. PMID:22163666

  15. Laser-induced breakdown spectroscopy detection of heavy metal in water based on graphite conch method

    NASA Astrophysics Data System (ADS)

    Wang, Chunlong; Liu, Jianguo; Zhao, Nanjing; Shi, Huan; Liu, Lituo; Ma, Mingjun; Zhang, Wei; Chen, Dong; Liu, Jing; Zhang, Yujun; Liu, Wenqing

    2012-10-01

    The laser-induced breakdown spectroscopy emission characteristics of trace heavy metal lead in water is studied based on graphite conch method, with a 1064nm wavelength Nd: YAG laser as excitation source, the echelle spectrometer and ICCD detector are used for spectral separation and high sensitive detection with high resolution and wide spectral range. The delay time 900ns and gate time 1600ns are determined in the experiment. The calibration curve of Pb is plotted based on the different concentration measurement results, and a limit of detection of 0.0138mg / L is obtained for Pb in water. Graphite conch method effectively overcomes the current problems on laser-induced breakdown spectroscopy detection of heavy metal in water. The detection limits and stability are improved. The reference data is provided for further study on the fast measurement of trace heavy metals in water by laser induced breakdown spectroscopy technique.

  16. Sensing atmospheric reactive species using light emitting diode by incoherent broadband cavity enhanced absorption spectroscopy.

    PubMed

    Yi, Hongming; Wu, Tao; Wang, Guishi; Zhao, Weixiong; Fertein, Eric; Coeur, Cécile; Gao, Xiaoming; Zhang, Weijun; Chen, Weidong

    2016-05-16

    We overview our recent progress in the developments and applications of light emitting diode-based incoherent broadband cavity enhanced absorption spectroscopy (LED-IBBCEAS) techniques for real-time optical sensing chemically reactive atmospheric species (HONO, NO3, NO2) in intensive campaigns and in atmospheric simulation chamber. New application of optical monitoring of NO3 concentration-time profile for study of the NO3-initiated oxidation process of isoprene in a smog chamber is reported. PMID:27409951

  17. Identification of different species of Bacillus isolated from Nisargruna Biogas Plant by FTIR, UV-Vis and NIR spectroscopy

    NASA Astrophysics Data System (ADS)

    Ghosh, S. B.; Bhattacharya, K.; Nayak, S.; Mukherjee, P.; Salaskar, D.; Kale, S. P.

    2015-09-01

    Definitive identification of microorganisms, including pathogenic and non-pathogenic bacteria, is extremely important for a wide variety of applications including food safety, environmental studies, bio-terrorism threats, microbial forensics, criminal investigations and above all disease diagnosis. Although extremely powerful techniques such as those based on PCR and microarrays exist, they require sophisticated laboratory facilities along with elaborate sample preparation by trained researchers. Among different spectroscopic techniques, FTIR was used in the 1980s and 90s for bacterial identification. In the present study five species of Bacillus were isolated from the aerobic predigester chamber of Nisargruna Biogas Plant (NBP) and were identified to the species level by biochemical and molecular biological (16S ribosomal DNA sequence) methods. Those organisms were further checked by solid state spectroscopic absorbance measurements using a wide range of electromagnetic radiation (wavelength 200 nm to 25,000 nm) encompassing UV, visible, near Infrared and Infrared regions. UV-Vis and NIR spectroscopy was performed on dried bacterial cell suspension on silicon wafer in specular mode while FTIR was performed on KBr pellets containing the bacterial cells. Consistent and reproducible species specific spectra were obtained and sensitivity up to a level of 1000 cells was observed in FTIR with a DTGS detector. This clearly shows the potential of solid state spectroscopic techniques for simple, easy to implement, reliable and sensitive detection of bacteria from environmental samples.

  18. Incoherent broad-band cavity-enhanced absorption spectroscopy of the marine boundary layer species I2, IO and OIO.

    PubMed

    Vaughan, Stewart; Gherman, Titus; Ruth, Albert A; Orphal, Johannes

    2008-08-14

    The novel combination of incoherent broad-band cavity-enhanced absorption spectroscopy (IBBCEAS) and a discharge-flow tube for the study of three key atmospheric trace species, I(2), IO and OIO, is reported. Absorption measurements of I(2) and OIO at lambda=525-555 nm and IO at lambda=420-460 nm were made using a compact cavity-enhanced spectrometer employing a 150 W short-arc Xenon lamp. The use of a flow system allowed the monitoring of the chemically short-lived radical species IO and OIO to be conducted over timescales of several seconds. We report detection limits of approximately 26 pmol mol(-1) for I(2) (L=81 cm, acquisition time 60 s), approximately 45 pmol mol(-1) for OIO (L=42.5 cm, acquisition time 5 s) and approximately 210 pmol mol(-1) for IO (L=70 cm, acquisition time 60 s), demonstrating the usefulness of this approach for monitoring these important species in both laboratory studies and field campaigns.

  19. Detecting Nanodomains in Living Cell Membrane by Fluorescence Correlation Spectroscopy

    NASA Astrophysics Data System (ADS)

    He, Hai-Tao; Marguet, Didier

    2011-05-01

    Cell membranes actively participate in numerous cellular functions. Inasmuch as bioactivities of cell membranes are known to depend crucially on their lateral organization, much effort has been focused on deciphering this organization on different length scales. Within this context, the concept of lipid rafts has been intensively discussed over recent years. In line with its ability to measure diffusion parameters with great precision, fluorescence correlation spectroscopy (FCS) measurements have been made in association with innovative experimental strategies to monitor modes of molecular lateral diffusion within the plasma membrane of living cells. These investigations have allowed significant progress in the characterization of the cell membrane lateral organization at the suboptical level and have provided compelling evidence for the in vivo existence of raft nanodomains. We review these FCS-based studies and the characteristic structural features of raft nanodomains. We also discuss the findings in regards to the current view of lipid rafts as a general membrane-organizing principle.

  20. Imaging infrared spectroscopy for fixation-free liver tumor detection

    NASA Astrophysics Data System (ADS)

    Coe, James V.; Chen, Zhaomin; Li, Ran; Butke, Ryan; Miller, Barrie; Hitchcock, Charles L.; Allen, Heather C.; Povoski, Stephen P.; Martin, Edward W.

    2014-03-01

    Infrared (IR) imaging spectroscopy of human liver tissue slices has been used to identify and characterize a liver metastasis of breast origin (mucinous carcinoma) which was surgically removed from a consenting patient and frozen without formalin fixation or dehydration procedures, so that lipids and water remain in the tissues. Previously, a set of IR metrics was determined for tumors in fixation-free liver tissues facilitating a k-means cluster analysis differentiating tumor from nontumor. Different and more in depth aspects of these results are examined in this work including three metric color imaging, differencing for lipid identification, and a new technique to simultaneously fit band lineshapes and their 2nd derivatives in order to better characterize protein changes.

  1. Molecular detection and characterization of Theileria species in the Philippines.

    PubMed

    Belotindos, Lawrence P; Lazaro, Jonathan V; Villanueva, Marvin A; Mingala, Claro N

    2014-09-01

    Theileriosis is a tick-borne disease of domestic and wild animals that cause devastating economic loss in livestock in tropical and subtropical regions. Theileriosis is not yet documented in the Philippines as compared to babesiosis and anaplasmosis which are considered major tick-borne diseases that infect livestock in the country and contribute major losses to the livestock industry. The study was aimed to detect Theileria sp. at genus level in blood samples of cattle using polymerase chain reaction (PCR) assay. Specifically, it determined the phylogenetic relationship of Theileria species affecting cattle in the Philippines to other Theileria sp. registered in the GenBank. A total of 292 blood samples of cattle that were collected from various provinces were used. Theileria sp. was detected in 43/292 from the cattle blood samples using PCR assay targeting the major piroplasm surface protein (MPSP) gene. DNA sequence showed high similarity (90-99%) among the reported Theileria sp. isolates in the GenBank and the Philippine isolates of Theileria. Phylogenetic tree construction using nucleotide sequence classified the Philippine isolates of Theileria as benign. However, nucleotide polymorphism was observed in the new isolate based on nucleotide sequence alignment. It revealed that the new isolate can be a new species of Theileria.

  2. Beam synchronous detection techniques for X-Ray spectroscopy

    NASA Astrophysics Data System (ADS)

    Goujon, Gérard; Rogalev, Andreï; Goulon, José; Feite, Serge; Wilhelm, Fabrice

    2013-03-01

    The Photo diode detectors combine a set of properties that make them most appropriate, in particular, for X-ray Magnetic Circular Dichroism (XMCD) experiments. Under standard operating conditions, the detection bandwidth is primarily limited by the transimpedance preamplifier that converts the very low ac photocurrent into a voltage. On the other hand, when the photodiode is reverse biased, its finite shunt resistance will cause an undesirable, temperature dependent DC dark current. The best strategy to get rid of it is to use synchronous detection techniques. A classical implementation is based on the use of a chopper modulating the X-ray beam intensity at rather low frequencies (typically below 1 kHz). Here we report on the recent development of a fast Xray detection which has the capability to fully exploit the frequency structure of the ESRF X-ray beam (355 KHz and its harmonics). The availability of new wide band preamplifiers allowed us to extend the working frequency range up to a few MHz. A beam synchronous data processing was implemented in large FPGAs. Performances of the new detection system implemented at the ESRF beamline ID12 are illustrated with detection of the Fe K-edge XMCD spectra in garnets, using 4 bunches operation mode with modulation frequency of 1.4 MHz.

  3. A NIR spectroscopy-based efficient approach to detect fraudulent additions within mixtures of dried porcini mushrooms.

    PubMed

    Casale, Monica; Bagnasco, Lucia; Zotti, Mirca; Di Piazza, Simone; Sitta, Nicola; Oliveri, Paolo

    2016-11-01

    Boletus edulis and allied species (BEAS), known as "porcini mushrooms", represent almost the totality of wild mushrooms placed on the Italian market, both fresh and dehydrated. Furthermore, considerable amounts of these dried fungi are imported from China. The presence of Tylopilus spp. and other extraneous species (i.e., species edible but not belonging to BEAS) within dried porcini mushrooms - mainly from those imported from China and sold in Italy - may represent an evaluable problem from a commercial point of view. The purpose of the present study is to evaluate near-infrared spectroscopy (NIRS) as a rapid and effective alternative to classical methods for identifying extraneous species within dried porcini batches and detecting related commercial frauds. To this goal, 80 dried fungi including BEAS, Tylopilus spp., and Boletus violaceofuscus were analysed by NIRS. For each sample, 3 different parts of the pileus (pileipellis, flesh and hymenium) were analysed and a low-level strategy for data fusion, consisting of combining the signals obtained by the different parts before data processing, was applied. Then, NIR spectra were used to develop reliable and efficient class-models using a novel method, partial least squares density modelling (PLS-DM), and the two most commonly used class-modelling techniques, UNEQ and SIMCA. The results showed that NIR spectroscopy coupled with chemometric class-modelling technique can be suggested as an effective analytical strategy to check the authenticity of dried BEAS mushrooms.

  4. A NIR spectroscopy-based efficient approach to detect fraudulent additions within mixtures of dried porcini mushrooms.

    PubMed

    Casale, Monica; Bagnasco, Lucia; Zotti, Mirca; Di Piazza, Simone; Sitta, Nicola; Oliveri, Paolo

    2016-11-01

    Boletus edulis and allied species (BEAS), known as "porcini mushrooms", represent almost the totality of wild mushrooms placed on the Italian market, both fresh and dehydrated. Furthermore, considerable amounts of these dried fungi are imported from China. The presence of Tylopilus spp. and other extraneous species (i.e., species edible but not belonging to BEAS) within dried porcini mushrooms - mainly from those imported from China and sold in Italy - may represent an evaluable problem from a commercial point of view. The purpose of the present study is to evaluate near-infrared spectroscopy (NIRS) as a rapid and effective alternative to classical methods for identifying extraneous species within dried porcini batches and detecting related commercial frauds. To this goal, 80 dried fungi including BEAS, Tylopilus spp., and Boletus violaceofuscus were analysed by NIRS. For each sample, 3 different parts of the pileus (pileipellis, flesh and hymenium) were analysed and a low-level strategy for data fusion, consisting of combining the signals obtained by the different parts before data processing, was applied. Then, NIR spectra were used to develop reliable and efficient class-models using a novel method, partial least squares density modelling (PLS-DM), and the two most commonly used class-modelling techniques, UNEQ and SIMCA. The results showed that NIR spectroscopy coupled with chemometric class-modelling technique can be suggested as an effective analytical strategy to check the authenticity of dried BEAS mushrooms. PMID:27591669

  5. Detection of single atoms by resonance ionization spectroscopy

    SciTech Connect

    Hurst, G.S.

    1986-01-01

    Rutherford's idea for counting individual atoms can, in principle, be implemented for nearly any type of atom, whether stable or radioactive, by using methods of resonance ionization. With the RIS technique, a laser is tuned to a wavelength which will promote a valence electron in a Z-selected atom to an excited level. Additional resonance or nonresonance photoabsorption steps are used to achieve nearly 100% ionization efficiencies. Hence, the RIS process can be saturated for the Z-selected atoms; and since detectors are available for counting either single electrons or positive ions, one-atom detection is possible. Some examples are given of one-atom detection, including that of the noble gases, in order to show complementarity with AMS methods. For instance, the detection of /sup 81/Kr using RIS has interesting applications for solar neutrino research, ice-cap dating, and groundwater dating. 39 refs., 7 figs., 2 tabs.

  6. ANTARES neutrino detection: CAHA photometry & spectroscopy of the Swift source

    NASA Astrophysics Data System (ADS)

    Castro-Tirado, A. J.; Galadí-Enríquez, D.; Hoyos, F.; Guijarro, A.; Sánchez-Ramírez, R.; Fernández, M.; Tello, J. C.; Jeong, S.; Maíz-Apellániz, J.

    2015-09-01

    Following the detection of a possible counterpart to the neutrino ANTARES source by Swift (Dornic et al. GCNC 18231, ATel #7987), we conducted optical monitoring and spectroscopic observations with the 2.2m (+BUSCA) and 3.5m (+TWIN) telescopes at the German-Spanish Calar Alto Observatory (Spain), under non-optimal conditions (airmass 3), starting on Sep 3 at 20:07 UT (2.52 days post ANTARES detection) of the R=12.6 star USNO-B1.0 0626-0501169 (probably a G/K-type star, Smartt et al. ATel #7992).

  7. A near-infrared spectroscopy routine for unambiguous identification of cryptic ant species

    PubMed Central

    Wagner, Herbert C.; Peskoller, Andrea; Moder, Karl; Dowell, Floyd E.; Arthofer, Wolfgang

    2015-01-01

    Species identification—of importance for most biological disciplines—is not always straightforward as cryptic species hamper traditional identification. Fibre-optic near-infrared spectroscopy (NIRS) is a rapid and inexpensive method of use in various applications, including the identification of species. Despite its efficiency, NIRS has never been tested on a group of more than two cryptic species, and a working routine is still missing. Hence, we tested if the four morphologically highly similar, but genetically distinct ant species Tetramorium alpestre, T. caespitum, T. impurum, and T. sp. B, all four co-occurring above 1,300 m above sea level in the Alps, can be identified unambiguously using NIRS. Furthermore, we evaluated which of our implementations of the three analysis approaches, partial least squares regression (PLS), artificial neural networks (ANN), and random forests (RF), is most efficient in species identification with our data set. We opted for a 100% classification certainty, i.e., a residual risk of misidentification of zero within the available data, at the cost of excluding specimens from identification. Additionally, we examined which strategy among our implementations, one-vs-all, i.e., one species compared with the pooled set of the remaining species, or binary-decision strategies, worked best with our data to reduce a multi-class system to a two-class system, as is necessary for PLS. Our NIRS identification routine, based on a 100% identification certainty, was successful with up to 66.7% of unambiguously identified specimens of a species. In detail, PLS scored best over all species (36.7% of specimens), while RF was much less effective (10.0%) and ANN failed completely (0.0%) with our data and our implementations of the analyses. Moreover, we showed that the one-vs-all strategy is the only acceptable option to reduce multi-class systems because of a minimum expenditure of time. We emphasise our classification routine using fibre

  8. A near-infrared spectroscopy routine for unambiguous identification of cryptic ant species.

    PubMed

    Kinzner, Martin-Carl; Wagner, Herbert C; Peskoller, Andrea; Moder, Karl; Dowell, Floyd E; Arthofer, Wolfgang; Schlick-Steiner, Birgit C; Steiner, Florian M

    2015-01-01

    Species identification-of importance for most biological disciplines-is not always straightforward as cryptic species hamper traditional identification. Fibre-optic near-infrared spectroscopy (NIRS) is a rapid and inexpensive method of use in various applications, including the identification of species. Despite its efficiency, NIRS has never been tested on a group of more than two cryptic species, and a working routine is still missing. Hence, we tested if the four morphologically highly similar, but genetically distinct ant species Tetramorium alpestre, T. caespitum, T. impurum, and T. sp. B, all four co-occurring above 1,300 m above sea level in the Alps, can be identified unambiguously using NIRS. Furthermore, we evaluated which of our implementations of the three analysis approaches, partial least squares regression (PLS), artificial neural networks (ANN), and random forests (RF), is most efficient in species identification with our data set. We opted for a 100% classification certainty, i.e., a residual risk of misidentification of zero within the available data, at the cost of excluding specimens from identification. Additionally, we examined which strategy among our implementations, one-vs-all, i.e., one species compared with the pooled set of the remaining species, or binary-decision strategies, worked best with our data to reduce a multi-class system to a two-class system, as is necessary for PLS. Our NIRS identification routine, based on a 100% identification certainty, was successful with up to 66.7% of unambiguously identified specimens of a species. In detail, PLS scored best over all species (36.7% of specimens), while RF was much less effective (10.0%) and ANN failed completely (0.0%) with our data and our implementations of the analyses. Moreover, we showed that the one-vs-all strategy is the only acceptable option to reduce multi-class systems because of a minimum expenditure of time. We emphasise our classification routine using fibre-optic NIRS

  9. A near-infrared spectroscopy routine for unambiguous identification of cryptic ant species.

    PubMed

    Kinzner, Martin-Carl; Wagner, Herbert C; Peskoller, Andrea; Moder, Karl; Dowell, Floyd E; Arthofer, Wolfgang; Schlick-Steiner, Birgit C; Steiner, Florian M

    2015-01-01

    Species identification-of importance for most biological disciplines-is not always straightforward as cryptic species hamper traditional identification. Fibre-optic near-infrared spectroscopy (NIRS) is a rapid and inexpensive method of use in various applications, including the identification of species. Despite its efficiency, NIRS has never been tested on a group of more than two cryptic species, and a working routine is still missing. Hence, we tested if the four morphologically highly similar, but genetically distinct ant species Tetramorium alpestre, T. caespitum, T. impurum, and T. sp. B, all four co-occurring above 1,300 m above sea level in the Alps, can be identified unambiguously using NIRS. Furthermore, we evaluated which of our implementations of the three analysis approaches, partial least squares regression (PLS), artificial neural networks (ANN), and random forests (RF), is most efficient in species identification with our data set. We opted for a 100% classification certainty, i.e., a residual risk of misidentification of zero within the available data, at the cost of excluding specimens from identification. Additionally, we examined which strategy among our implementations, one-vs-all, i.e., one species compared with the pooled set of the remaining species, or binary-decision strategies, worked best with our data to reduce a multi-class system to a two-class system, as is necessary for PLS. Our NIRS identification routine, based on a 100% identification certainty, was successful with up to 66.7% of unambiguously identified specimens of a species. In detail, PLS scored best over all species (36.7% of specimens), while RF was much less effective (10.0%) and ANN failed completely (0.0%) with our data and our implementations of the analyses. Moreover, we showed that the one-vs-all strategy is the only acceptable option to reduce multi-class systems because of a minimum expenditure of time. We emphasise our classification routine using fibre-optic NIRS

  10. [Aging explosive detection using terahertz time-domain spectroscopy].

    PubMed

    Meng, Kun; Li, Ze-ren; Liu, Qiao

    2011-05-01

    Detecting the aging situation of stock explosive is essentially meaningful to the research on the capability, security and stability of explosive. Existing aging explosive detection techniques, such as scan microscope technique, Fourier transfer infrared spectrum technique, gas chromatogram mass spectrum technique and so on, are either not able to differentiate whether the explosive is aging or not, or not able to image the structure change of the molecule. In the present paper, using the density functional theory (DFT), the absorb spectrum changes after the explosive aging were calculated, from which we can clearly find the difference of spectrum between explosive molecule and aging ones in the terahertz band. The terahertz time-domain spectrum (THz-TDS) system as well as its frequency spectrum resolution and measured range are analyzed. Combined with the existing experimental results and the essential characters of the terahertz wave, the application of THz-TDS technique to the detection of aging explosive was demonstrated from the aspects of feasibility, veracity and practicability. On the base of that, the authors advance the new method of aging explosive detection using the terahertz time-domain spectrum technique.

  11. Nondestructive detection of infested chestnuts based on NIR spectroscopy

    Technology Transfer Automated Retrieval System (TEKTRAN)

    Insect feeding is a significant postharvest problem for processors of Chestnuts (Castanea sativa, Miller). In most cases, damage from insects is 'hidden', i.e. not visually detectable on the fruit surface. Consequently, traditional sorting techniques, including manual sorting, are generally inadequa...

  12. Ammonia detection by using quantum-cascade laser photoacoustic spectroscopy.

    PubMed

    Filho, Milton B; da Silva, Marcelo G; Sthel, Marcelo S; Schramm, Delson U; Vargas, Helion; Miklós, Andras; Hess, Peter

    2006-07-10

    A pulsed quantum-cascade distributed-feedback laser, temperature tunable from -41 degrees C to +31.6 degrees C, and a resonant differential photoacoustic detector are used to measure trace-gas concentrations to as low as 66 parts per 10(9) by volume (ppbv) ammonia at a low laser power of 2 mW. Good agreement between the experimental spectrum and the simulated HITRAN spectrum of NH3 is found in the spectral range between 1046 and 1052 cm(-1). A detection limit of 30 ppbv ammonia at a signal-to-noise ratio of 1 was obtained with the quantum-cascade laser (QCL) photoacoustic (PA) setup. Concentration changes of approximately 50 ppbv were detectable with this compact and versatile QCL-based PA detection system. The performance of the PA detector, characterized by the product of the incident laser power and the minimum detectable absorption coefficient, was 4.7 x 10-9 W cm(-1).

  13. Feasibility Study of Using Short Wave Infrared Cavity Ringdown Spectroscopy (SWIR-CRDS) for Biological Agent Detection

    SciTech Connect

    Aker, Pam M.; Johnson, Timothy J.; Williams, Richard M.; Valentine, Nancy B.

    2007-10-01

    This project focused on determining the feasibility of using short wave infrared (SWIR) cavity ring down spectroscopy (CRDS) as a means for real-time detection of biological aerosols. The first part of the project involved identifying biological agent signatures that could be detected with SWIR CRDS. After an exhaustive search of the open literature it was determined that whole biological spores and/or cells would not be good candidates for direct SWIR CRDS probing because they have no unique SWIR signatures. It was postulated that while whole cells or spores are not good candidates for SWIR CRDS detection, their pyrolysis break-down products might be. A literature search was then conducted to find biological pyrolysis products with low molecular weights and high symmetry since these species most likely would have overtone and combination vibrational bands that can be detected in the SWIR. It was determined that pyrrole, pyridine and picolinamide were good candidates for evaluation. These molecules are formed when proteins and porphyrins, proteins and dipicolinic acid, and dipicolinic acid are pyrolyzed, respectively. The second part of the project involved measuring quantitative SWIR spectra of pyrrole, pyridine and picolinamide in PNNL’s FTIR Spectroscopy Laboratory. Spectral information about these molecules, in the vapor phase is sparse – there were only a few prior studies that measured line positions and no information on absorption cross sections. Absorption cross sections are needed in order to estimate the SWIR CRDS detection sensitivity, and line position determines what type of laser will be needed for the sensor. The results of the spectroscopy studies allowed us to estimate the SWIR CRDS detection sensitivity for pyrrole to be 3 x 1012 molec cm-3 or 0.1 ppmv, and for pyridine it was 1.5 x 1015 molec cm-3 or 0.6 ppmv. These detection sensitivity limits are close what we have measured for ammonia. Given these detection limits we then estimated the

  14. Raman-spectroscopy-based chemical contaminant detection in milk powder

    NASA Astrophysics Data System (ADS)

    Dhakal, Sagar; Chao, Kuanglin; Qin, Jianwei; Kim, Moon S.

    2015-05-01

    Addition of edible and inedible chemical contaminants in food powders for purposes of economic benefit has become a recurring trend. In recent years, severe health issues have been reported due to consumption of food powders contaminated with chemical substances. This study examines the effect of spatial resolution used during spectral collection to select the optimal spatial resolution for detecting melamine in milk powder. Sample depth of 2mm, laser intensity of 200mw, and exposure time of 0.1s were previously determined as optimal experimental parameters for Raman imaging. Spatial resolution of 0.25mm was determined as the optimal resolution for acquiring spectral signal of melamine particles from a milk-melamine mixture sample. Using the optimal resolution of 0.25mm, sample depth of 2mm and laser intensity of 200mw obtained from previous study, spectral signal from 5 different concentration of milk-melamine mixture (1%, 0.5%, 0.1%, 0.05%, and 0.025%) were acquired to study the relationship between number of detected melamine pixels and corresponding sample concentration. The result shows that melamine concentration has a linear relation with detected number of melamine pixels with correlation coefficient of 0.99. It can be concluded that the quantitative analysis of powder mixture is dependent on many factors including physical characteristics of mixture, experimental parameters, and sample depth. The results obtained in this study are promising. We plan to apply the result obtained from this study to develop quantitative detection model for rapid screening of melamine in milk powder. This methodology can also be used for detection of other chemical contaminants in milk powders.

  15. A practical alternative to chemiluminescence-based detection of nitrogen dioxide: cavity attenuated phase shift spectroscopy.

    PubMed

    Kebabian, Paul L; Wood, Ezra C; Herndon, Scott C; Freedman, Andrew

    2008-08-15

    We present results obtained from a greatly improved version of a previously reported nitrogen dioxide monitor (Anal Chem. 2005, 77, 724-728) that utilizes cavity attenuated phase shift spectroscopy (CAPS). The sensor, which detects the optical absorption of nitrogen dioxide within a 20 nm bandpass centered at 440 nm, comprises a blue light emitting diode, an enclosed stainless steel measurement cell (26 cm length) incorporating a resonant optical cavity of near-confocal design and a vacuum photodiode detector. An analog heterodyne detection scheme is used to measure the phase shift in the waveform of the modulated light transmitted through the cell induced by the presence of nitrogen dioxide within the cell. The sensor, which operates at atmospheric pressure, fits into a 19 in.-rack-mounted instrumentation box, weighs 10 kg, and utilizes 70 W of electrical power with pump included. The sensor response to nitrogen dioxide (calculated as the cotangent of the phase shift) is demonstrated to be linear (r2 > 0.9999) within +/- 1 ppb over a range of 0-320 ppb (by volume). The device exhibits a detection limit (3sigma precision) of less than 60 parts per trillion (0.060 ppb) with 10 s integration, a value derived from measurements at NO2 concentration levels of both 0 and 20 ppb; the detection limit improves as the integration time is increased to several hundred seconds. The observed baseline drift is less than +/- 0.5 ppb overthe course of a month. An intercomparison of measurements of ambient NO2 concentrations over several days using this sensor with a quantum cascade laser-based infrared absorption spectrometer and a standard chemiluminescence-based NOx analyzer is presented. The data from the CAPS sensor are highly correlated (r2 > 0.99) with the other two instruments. The absolute agreement between the CAPS and each of the two other instruments is within the expected statistical noise associated with the infrared laser-based absorption spectrometer (+/- 0.3 ppb

  16. Chemical agent detection by surface-enhanced Raman spectroscopy

    NASA Astrophysics Data System (ADS)

    Farquharson, Stuart; Gift, Alan; Maksymiuk, Paul; Inscore, Frank E.; Smith, Wayne W.; Morrisey, Kevin; Christesen, Steven D.

    2004-03-01

    In the past decade, the Unites States and its allies have been challenged by a different kind of warfare, exemplified by the terrorist attacks of September 11, 2001. Although suicide bombings are the most often used form of terror, military personnel must consider a wide range of attack scenarios. Among these is the intentional poisoning of water supplies to obstruct military operations in Afghanistan and Iraq. To counter such attacks, the military is developing portable analyzers that can identify and quantify potential chemical agents in water supplies at microgram per liter concentrations within 10 minutes. To aid this effort we have been investigating the value of a surface-enhanced Raman spectroscopy based portable analyzer. In particular we have been developing silver-doped sol-gels to generate SER spectra of chemical agents and their hydrolysis products. Here we present SER spectra of several chemical agents measured in a generic tap water. Repeat measurements were performed to establish statistical error associated with SERS obtained using the sol-gel coated vials.

  17. Shifted excitation Raman difference spectroscopy at multiple wavelengths for in-situ meat species differentiation

    NASA Astrophysics Data System (ADS)

    Sowoidnich, Kay; Kronfeldt, Heinz-Detlef

    2012-09-01

    Two miniaturized Raman measurement heads containing microsystem diode lasers emitting at 783 and 671 nm suitable for shifted excitation Raman difference spectroscopy (SERDS) were applied for the non-invasive in situ differentiation of selected meat species. This allows using the fingerprint characteristics of Raman spectra without a disturbing fluorescence background. At 783 nm, two emission lines with a spectral shift of 0.5 nm (7 cm-1) and optical powers of up to 110 mW were realized. For 671 nm excitation, the spectral shift amounts to 0.6 nm (12 cm-1) and optical powers of up to 40 mW were obtained. In both cases, meat Raman spectra could be recorded with integration times of 10 s. The investigations were carried out using selected cuts from the most commonly consumed meat species in the US and Europe, i.e. beef, pork, chicken, and turkey. A principal components analysis of the SERDS spectra revealed a clear separation of the meat species into four distinct groups for both excitation wavelengths. This classification is based on the myoglobin content and gradual differences of protein Raman band intensities and positions. The results demonstrate the potential of SERDS as rapid and non-destructive screening method for the discrimination of selected meat species.

  18. Identification of Propionibacteria to the species level using Fourier transform infrared spectroscopy and artificial neural networks.

    PubMed

    Dziuba, B

    2013-01-01

    Fourier transform infrared spectroscopy (FTIR) and artificial neural networks (ANN's) were used to identify species of Propionibacteria strains. The aim of the study was to improve the methodology to identify species of Propionibacteria strains, in which the differentiation index D, calculated based on Pearson's correlation and cluster analyses were used to describe the correlation between the Fourier transform infrared spectra and bacteria as molecular systems brought unsatisfactory results. More advanced statistical methods of identification of the FTIR spectra with application of artificial neural networks (ANN's) were used. In this experiment, the FTIR spectra of Propionibacteria strains stored in the library were used to develop artificial neural networks for their identification. Several multilayer perceptrons (MLP) and probabilistic neural networks (PNN) were tested. The practical value of selected artificial neural networks was assessed based on identification results of spectra of 9 reference strains and 28 isolates. To verify results of isolates identification, the PCR based method with the pairs of species-specific primers was used. The use of artificial neural networks in FTIR spectral analyses as the most advanced chemometric method supported correct identification of 93% bacteria of the genus Propionibacterium to the species level.

  19. Detection of atmospheric pollutants by pulsed photoacoustic spectroscopy

    NASA Astrophysics Data System (ADS)

    Roman, Miruna; Pascu, Mihail-Lucian; Staicu, Angela

    1998-07-01

    Pulsed laser photoacoustic detection of NO2 and SO2 is reported. The laser source is a pulsed molecular nitrogen laser emitting at 337.1 nm. The average energy per pulse is about 350 (mu) J and the pulse duration 10 nsec. For detection we used a piezoelectric transducer (TUSIM-N.I.M.P., resonance frequency 4 MHz) and an electret condenser microphone (Trevi EM 27). The photoacoustic cell was a nonresonant one, with a cylindrical shape. The laser beam was centered along the cylinder axis. Linear dependence of the photoacoustic signal on pollutant pressure was obtained. This linearity is in a good agreement with theoretical considerations. The photoacoustic signal was measured for pollutants pressure between 1 torr and 100 torr for NO2 and between 35 torr and 100 torr for SO2.

  20. Detection of Nitric Oxide by Electron Paramagnetic Resonance Spectroscopy: Spin-Trapping with Iron-Dithiocarbamates.

    PubMed

    Maia, Luisa B; Moura, José J G

    2016-01-01

    Electron paramagnetic resonance (EPR) spectroscopy is the ideal methodology to identify radicals (detection and characterization of molecular structure) and to study their kinetics, in both simple and complex biological systems. The very low concentration and short life-time of NO and of many other radicals do not favor its direct detection and spin-traps are needed to produce a new and persistent radical that can be subsequently detected by EPR spectroscopy.In this chapter, we present the basic concepts of EPR spectroscopy and of some spin-trapping methodologies to study NO. The "strengths and weaknesses" of iron-dithiocarbamates utilization, the NO traps of choice for the authors, are thoroughly discussed and a detailed description of the method to quantify the NO formation by molybdoenzymes is provided. PMID:27094413

  1. Direct molecule-specific glucose detection by Raman spectroscopy based on photonic crystal fiber.

    PubMed

    Yang, Xuan; Zhang, Alissa Y; Wheeler, Damon A; Bond, Tiziana C; Gu, Claire; Li, Yat

    2012-01-01

    This paper reports the first step toward the development of a glucose biosensor based on Raman spectroscopy and a photonic crystal fiber (PCF) probe. Historically, it has been very challenging to detect glucose directly by Raman spectroscopy due to its inherently small Raman scattering cross-section. In this work, we report the first quantitative glucose Raman detection in the physiological concentration range (0-25 mM) with a low laser power (2 mW), a short integration time (30 s), and an extremely small sampling volume (~50 nL) using the highly sensitive liquid-filled PCF probe. As a proof of concept, we also demonstrate the molecular specificity of this technique in the presence of a competing sugar, such as fructose. High sensitivity, flexibility, reproducibility, low cost, small sampling volume, and in situ remote sensing capability make PCF a very powerful platform for potential glucose detection based on Raman spectroscopy. PMID:22120042

  2. Detection of mechanical and disease stresses in citrus plants by fluorescence spectroscopy

    NASA Astrophysics Data System (ADS)

    Belasque, J., Jr.; Gasparoto, M. C. G.; Marcassa, L. G.

    2008-04-01

    We have investigated the detection of mechanical and disease stresses in citrus plants (Citrus limonia [L.] Osbeck) using laser-induced fluorescence spectroscopy. Due to its economic importance we have chosen to investigate the citrus canker disease, which is caused by the Xanthomonas axonopodis pv. citri bacteria. Mechanical stress was also studied because it plays an important role in the plant's infection by such bacteria. A laser-induced fluorescence spectroscopy system, composed of a spectrometer and a 532 nm10 mW excitation laser was used to perform fluorescence spectroscopy. The ratio of two chlorophyll fluorescence bands allows us to detect and discriminate between mechanical and disease stresses. This ability to discriminate may have an important application in the field to detect citrus canker infected trees.

  3. [Detection of Cinnabars in Mongolian Medicines Using Raman Spectroscopy].

    PubMed

    Han, Siqingaowa; Hasi, Wuliji; Lin, Xiang; Lin, Shuang; Yang, Fang; Lou, Xiu-tao; Lu, Zhi-wei

    2015-10-01

    Cinnabar could soothe the nerves and the powder of cinnabar is always added in traditional Chinese medicine or mongolian medicines. The surface-enhanced Raman spectrum of cinnabar was identified using a portable Raman spectrometer and most structure vibration information was obtained. The results show that the Raman peaks of cinnabars were located at 253, 290, 343 cm(-1) and this three Raman characteristic peaks were selected for cinnabar identification. Meanwhile, the Raman spectra of several mongolian medicines were collected. The results showed that Raman signal of cinnabar could be observed in several mongolian medicines which contain cinnabar and Raman signal of cinnabar couldn't be detected in several mongolian medicines without cinnabar. In addition, the cinnabar in the oral ulcer powder was semi-quantitative analyzed and the limit of detection could reach to 10% of mass fraction. The relationship between the doped amount of cinnabar in the oral ulcer powder and the Raman intensity of characteristic peak was fitted and the correlation coefficient (r) was 0.995 9, which validated the accuracy of the result. This Raman analysis method for cinnabar detection is rapid, simple and accurate and it can be applied widely in mongolian medicines determination. PMID:26904816

  4. The Role of Spectroscopy Versus Detection for Border Security

    SciTech Connect

    Kouzes, Richard T.; Ely, James H.

    2008-06-15

    Countries around the world are deploying radiation portal monitor (RPM) systems and other radiation detection instrumentation to interdict the illegal shipment of radioactive material crossing international borders. These efforts include deployments in the U.S. and in a number of other countries by governments and international organizations. Because of their high efficiency for gamma-ray detection, most deployed RPM systems are based on plastic scintillators. Such systems, however, are largely non-spectroscopic in capability. Fully capable spectroscopic portal monitor systems are undergoing engineering development for deployment in the future. The ability to identify the detected radionuclides may allow improved operational handling of radiation alarms, particularly those arising from the normal cargo stream of naturally occurring radioactive material, commercial radioactive sources, and individuals treated with medical radiopharmaceuticals. The goal for improved RPM systems is to increase the sensitivity to threats while reducing the impact that nuisance alarms have on operations. This paper considers the roles for spectroscopic and non-spectroscopic systems for safeguards and border security.

  5. Detection of explosive vapour using surface-enhanced Raman spectroscopy

    NASA Astrophysics Data System (ADS)

    Fang, X.; Ahmad, S. R.

    2009-11-01

    A commercially available nano-structured gold substrate was used for activating surface-enhanced Raman scattering (SERS). Raman spectra of the vapour of explosive material, triacetonetriperoxide (TATP), at trace concentrations produced from adsorbed molecules on such surfaces have been studied. Prominent Raman lines of the explosive molecular species were recorded at a sample temperature of ˜35°C, which is near to human body temperature. For this study, the concentration of the adsorbed TATP molecules on the nano-structured surface was varied by heating the sample to different temperatures and exposing the substrate to the sample vapour for different lengths of time. The intensities of the Raman lines have been found to increase with the increase in temperature and also with the increase in the duration of exposure for a fixed temperature. However, as expected, the Raman intensities have been found to saturate at higher temperatures and longer exposures. These saturation effects of the strengths of the Raman lines in the SERS of TATP vapour have been investigated in this paper. The results indicate that the optimisation for vapour deposition on the surface could be a crucial factor for any quantitative estimate of the concentration of the molecular species adsorbed on the nano-structured substrates.

  6. Quantitative detection of astaxanthin and cantaxanthin in Atlantic salmon by resonance Raman spectroscopy

    NASA Astrophysics Data System (ADS)

    Ermakov, Igor V.; Ermakova, Maia R.; Gellermann, Werner

    2006-02-01

    Two major carotenoids species found in salmonids muscle tissues are astaxanthin and cantaxanthin. They are taken up from fish food and are responsible for the attractive red-orange color of salmon filet. Since carotenoids are powerful antioxidants and biomarkers of nutrient consumption, they are thought to indicate fish health and resistance to diseases in fish farm environments. Therefore, a rapid, accurate, quantitative optical technique for measuring carotenoid content in salmon tissues is of economic interest. We demonstrate the possibility of using fast, selective, quantitative detection of astaxanthin and cantaxanthin in salmon muscle tissues, employing resonance Raman spectroscopy. Analyzing strong Raman signals originating from the carbon-carbon double bond stretch vibrations of the carotenoid molecules under blue laser excitation, we are able to characterize quantitatively the concentrations of carotenoids in salmon muscle tissue. To validate the technique, we compared Raman data with absorption measurements of carotenoid extracts in acetone. A close correspondence was observed in absorption spectra for tissue extract in acetone and a pure astaxanthin solution. Raman results show a linear dependence between Raman and absorption data. The proposed technique holds promise as a method of rapid screening of carotenoid levels in fish muscle tissues and may be attractive for the fish farm industry to assess the dietary status of salmon, risk for infective diseases, and product quality control.

  7. Early Alzheimer's Disease Neuropathology Detected by Proton MR Spectroscopy

    PubMed Central

    Murray, Melissa E.; Przybelski, Scott A.; Lesnick, Timothy G.; Liesinger, Amanda M.; Spychalla, Anthony; Zhang, Bing; Gunter, Jeffrey L.; Parisi, Joseph E.; Boeve, Bradley F.; Knopman, David S.; Petersen, Ronald C.; Jack, Clifford R.; Dickson, Dennis W.

    2014-01-01

    Proton magnetic resonance spectroscopy (1H-MRS) is sensitive to early neurodegenerative processes associated with Alzheimer's disease (AD). Although 1H-MRS metabolite ratios of N-acetyl aspartate (NAA)/creatine (Cr), NAA/myoinositol (mI), and mI/Cr measured in the posterior cingulate gyrus reveal evidence of disease progression in AD, pathologic underpinnings of the 1H-MRS metabolite changes in AD are unknown. Pathologically diagnosed human cases ranging from no likelihood to high likelihood AD (n = 41, 16 females and 25 males) who underwent antemortem 1H-MRS of the posterior cingulate gyrus at 3 tesla were included in this study. Immunohistochemical evaluation was performed on the posterior cingulate gyrus using antibodies to synaptic vesicles, hyperphosphorylated tau (pTau), neurofibrillary tangle conformational-epitope (cNFT), amyloid-β, astrocytes, and microglia. The slides were digitally analyzed using Aperio software, which allows neuropathologic quantification in the posterior cingulate gray matter. MRS and pathology associations were adjusted for time from scan to death. Significant associations across AD and control subjects were found between reduced synaptic immunoreactivity and both NAA/Cr and NAA/mI in the posterior cingulate gyrus. Higher pTau burden was associated with lower NAA/Cr and NAA/mI. Higher amyloid-β burden was associated with elevated mI/Cr and lower NAA/mI ratios, but not with NAA/Cr. 1H-MRS metabolite levels reveal early neurodegenerative changes associated with AD pathology. Our findings support the hypothesis that a decrease in NAA/Cr is associated with loss of synapses and early pTau pathology, but not with amyloid-β or later accumulation of cNFT pathology in the posterior cingulate gyrus. In addition, elevation of mI/Cr is associated with the occurrence of amyloid-β plaques in AD. PMID:25471565

  8. Integration of Faradaic electrochemical impedance spectroscopy into a scalable surface plasmon biosensor for in tandem detection.

    PubMed

    Hong, Brandon; Sun, Alexander; Pang, Lin; Venkatesh, A G; Hall, Drew; Fainman, Yeshaiahu

    2015-11-16

    We present an integrated label-free biosensor based on surface plasmon resonance (SPR) and Faradaic electrochemical impedance spectroscopy (f-EIS) sensing modalities, for the simultaneous detection of biological analytes. Analyte detection is based on the angular spectroscopy of surface plasmon resonance and the extraction of charge transfer resistance values from reduction-oxidation reactions at the gold surface, as responses to functionalized surface binding events. To collocate the measurement areas and fully integrate the modalities, holographically exposed thin-film gold SPR-transducer gratings are patterned into coplanar electrodes for tandem impedance sensing. Mutual non-interference between plasmonic and electrochemical measurement processes is shown, and using our scalable and compact detection system, we experimentally demonstrate biotinylated surface capture of neutravidin concentrations as low as 10 nM detection, with a 5.5 nM limit of detection.

  9. Multitemporal spectroscopy for crop stress detection using band selection methods

    NASA Astrophysics Data System (ADS)

    Mewes, Thorsten; Franke, Jonas; Menz, Gunter

    2008-08-01

    A fast and precise sensor-based identification of pathogen infestations in wheat stands is essential for the implementation of site-specific fungicide applications. Several works have shown possibilities and limitations for the detection of plant stress using spectral sensor data. Hyperspectral data provide the opportunity to collect spectral reflectance in contiguous bands over a broad range of the electromagnetic spectrum. Individual phenomena like the light absorption of leaf pigments can be examined in detail. The precise knowledge of stress-dependent shifting in certain spectral wavelengths provides great advantages in detecting fungal infections. This study focuses on band selection techniques for hyperspectral data to identify relevant and redundant information in spectra regarding a detection of plant stress caused by pathogens. In a laboratory experiment, five 1 sqm boxes with wheat were multitemporarily measured by a ASD Fieldspec® 3 FR spectroradiometer. Two stands were inoculated with Blumeria graminis - the pathogen causing powdery mildew - and one stand was used to simulate the effect of water deficiency. Two stands were kept healthy as control stands. Daily measurements of the spectral reflectance were taken over a 14-day period. Three ASD Pro Lamps were used to illuminate the plots with constant light. By applying band selection techniques, the three types of different wheat vitality could be accurately differentiated at certain stages. Hyperspectral data can provide precise information about pathogen infestations. The reduction of the spectral dimension of sensor data by means of band selection procedures is an appropriate method to speed up the data supply for precision agriculture.

  10. Optical spectroscopy for the detection of ischemic tissue injury

    DOEpatents

    Demos, Stavros; Fitzgerald, Jason; Troppmann, Christoph; Michalopoulou, Andromachi

    2009-09-08

    An optical method and apparatus is utilized to quantify ischemic tissue and/or organ injury. Such a method and apparatus is non-invasive, non-traumatic, portable, and can make measurements in a matter of seconds. Moreover, such a method and apparatus can be realized through optical fiber probes, making it possible to take measurements of target organs deep within a patient's body. Such a technology provides a means of detecting and quantifying tissue injury in its early stages, before it is clinically apparent and before irreversible damage has occurred.

  11. Detection of explosive materials by differential reflection spectroscopy

    NASA Astrophysics Data System (ADS)

    Hummel, Rolf E.; Fuller, Anna M.; Schöllhorn, Claus; Holloway, Paul H.

    2006-06-01

    It is shown that traces of 2,4,6-trinitrotoluene (TNT) display strong and distinct structures in differential reflectograms, near 420 and 250nm. These characteristic peaks are not observed from moth balls, nail polish, polyvinyl chloride, starch, soap, paper, epoxy, aspirin, polycarbonate, aspartame, polystyrene, polyester, fertilizer, or sugar, to mention a few substances which may be in or on a suitcase. The described technique for detection of TNT is fast, inexpensive, reliable, and portable and does not require contact with the surveyed substance. Moreover, we have developed a curve recognition program for field applications of the technique. The origin of the spectra is discussed.

  12. Study of radicals, clusters and transition state species by anion photoelectron spectroscopy

    SciTech Connect

    Arnold, D.W.

    1994-08-01

    Free radicals, elemental and van der Waals clusters and transition state species for bimolecular chemical reactions are investigated using anion photoelectron spectroscopy. Several low-lying electronic states of ozone have been identified via photoelectron spectroscopy of O{sub 3}{sup {minus}}. A characterization of these states is important to models for atmospheric ozone reaction kinetics. The fluoroformyloxyl radical, FCO{sub 2}, has been investigated, providing vibrational frequencies and energies for two electronic states. The technique has also been employed to make the first direct observation and characterization of the NNO{sub 2} molecule. Several electronic states are observed for this species which is believed to play a role as a reactive intermediate in the N + NO{sub 2} reaction. The experimental results for all three of these radicals are supplemented by ab initio investigations of their molecular properties. The clusters investigations include studies of elemental carbon clusters (C{sub 2}{sup {minus}} {minus} C{sub 11}{sup {minus}}), and van der Waals clusters (X{sup {minus}}(CO{sub 2}){sub n}, X = I, Br, Cl; n {le} 13 and I{sup {minus}} (N{sub 2}O){sub n=1--11}). Primarily linear clusters are observed for the smaller carbon clusters, while the spectra of the larger clusters contain contribution from cyclic anion photodetachment. Very interesting ion-solvent interactions are observed in the X{sup {minus}}(CO{sub 2})n clusters. The transition state regions for several bimolecular chemical reactions have also been investigated by photodetachment of a negative ion precursor possessing a geometry similar to that of the transition state species. These spectra show features which are assigned to motions of the unstable neutral complex existing between reactants and products.

  13. Spatial Resolution of Combined Wavelength Modulation Spectroscopy with Integrated Cavity Output Spectroscopy for Atomic Oxygen Detection

    NASA Astrophysics Data System (ADS)

    Matsui, Makoto; Nakajima, Daisuke

    2015-09-01

    For developments of thermal protection system, atomic oxygen plays important role. However, its measurement method has not been established because the pressure in front of TPS test materials is as high as a few kPa. Our group proposed combined wavelength modulation and integrated output spectroscopies based on the forbidden transition at OI 636 nm to measure the ground-state number densities. In this study, WM-ICOS system is developed and applied to a microwave oxygen plasma to evaluate measurable region. As a result, the estimated number density by ICOS could be measured as low as 1021 m21. For the condition, WM-ICOS was applied. The signal to noise ratio of the 2f signal was 40.4. Then, the sensitivity was improved about 26. This result corresponding to the measurement limit of the partial atomic oxygen pressure of 250 Pa. The sensitivity of WM-ICOS was found to enough to diagnose the shock layer in high enthalpy flows. However, the spatial resolution was as large as 8 mm. The size of the beam pattern depends on the cavity length, robust ness of the cavity and accuracy of the cavity alignment. In this presentation, the relationship among these parameters will be discussed.

  14. Modeling species occurrence dynamics with multiple states and imperfect detection

    USGS Publications Warehouse

    MacKenzie, D.I.; Nichols, J.D.; Seamans, M.E.; Gutierrez, R.J.

    2009-01-01

    Recent extensions of occupancy modeling have focused not only on the distribution of species over space, but also on additional state variables (e.g., reproducing or not, with or without disease organisms, relative abundance categories) that provide extra information about occupied sites. These biologist-driven extensions are characterized by ambiguity in both species presence and correct state classification, caused by imperfect detection. We first show the relationships between independently published approaches to the modeling of multistate occupancy. We then extend the pattern-based modeling to the case of sampling over multiple seasons or years in order to estimate state transition probabilities associated with system dynamics. The methodology and its potential for addressing relevant ecological questions are demonstrated using both maximum likelihood (occupancy and successful reproduction dynamics of California Spotted Owl) and Markov chain Monte Carlo estimation approaches (changes in relative abundance of green frogs in Maryland). Just as multistate capture-recapture modeling has revolutionized the study of individual marked animals, we believe that multistate occupancy modeling will dramatically increase our ability to address interesting questions about ecological processes underlying population-level dynamics. ?? 2009 by the Ecological Society of America.

  15. Modeling species occurrence dynamics with multiple states and imperfect detection.

    PubMed

    MacKenzie, Darryl I; Nichols, James D; Seamans, Mark E; Gutiérrez, R J

    2009-03-01

    Recent extensions of occupancy modeling have focused not only on the distribution of species over space, but also on additional state variables (e.g., reproducing or not, with or without disease organisms, relative abundance categories) that provide extra information about occupied sites. These biologist-driven extensions are characterized by ambiguity in both species presence and correct state classification, caused by imperfect detection. We first show the relationships between independently published approaches to the modeling of multistate occupancy. We then extend the pattern-based modeling to the case of sampling over multiple seasons or years in order to estimate state transition probabilities associated with system dynamics. The methodology and its potential for addressing relevant ecological questions are demonstrated using both maximum likelihood (occupancy and successful reproduction dynamics of California Spotted Owl) and Markov chain Monte Carlo estimation approaches (changes in relative abundance of green frogs in Maryland). Just as multistate capture-recapture modeling has revolutionized the study of individual marked animals, we believe that multistate occupancy modeling will dramatically increase our ability to address interesting questions about ecological processes underlying population-level dynamics. PMID:19341151

  16. Detection of propranolol in pharmaceutical formulations by diffuse reflectance spectroscopy

    NASA Astrophysics Data System (ADS)

    Gotardo, Mara Andréia; Tognolli, João Olímpio; Pezza, Helena Redigolo; Pezza, Leonardo

    2008-04-01

    This paper describes an analytical reflectometric method that has an objective not only the industrial quality control but also to detect possible falsifications and/or adulterations of propranolol in pharmaceutical formulations. The method is based on the diffuse reflectance measurements of the colored product (III) of the spot test reaction between propranolol hydrochloride (I) and 2,6-dichloroquinone-4-chloroimide (II) using filter paper as solid support. Spot test conditions have been investigated using experimental design in order to identify and optimize the critical factors. The factors evaluated were DCQ concentration, propranolol solvent and DCQ solvent. The best reaction conditions were achieved with the addition of 30 μL of propranolol solution in ethanol 35% (v/v) and 30 μL of DCQ solution at 70 mg mL -1 in acetone, in this order. All reflectance measurements were carried out at 500 nm and the linear range was from 8.45 × 10 -4 to 8.45 × 10 -2 mol L -1 ( r = 0.998). The limit of detection was 1.01 × 10 -4 mol L -1. No interference was observed from the assessed excipients and drugs. The method was applied to determine propranolol in commercial brands of pharmaceuticals. The results obtained by the proposed method were favorably compared with those given by the British Pharmacopoeia procedure.

  17. Organ transplant tissue rejection: detection and staging by fluorescence spectroscopy

    NASA Astrophysics Data System (ADS)

    MacAulay, Calum E.; Whitehead, Peter D.; McManus, Bruce; Zeng, Haishan; Wilson-McManus, Janet; MacKinnon, Nick; Morgan, David C.; Dong, Chunming; Gerla, Paul; Kenyon, Jennifer

    1998-07-01

    Patients receiving heart or other organ transplants usually require some level of anti-rejection drug therapy, most commonly cyclosporine. The rejection status of the organ must be monitored to determine the optimal anti-rejection drug therapy. The current method for monitoring post-transplant rejection status of heart transplant patients consists of taking biopsies from the right ventricle. In this work we have developed a system employing optical and signal-processing techniques that will allow a cardiologist to measure spectral changes associated with tissue rejection using an optical catheter probe. The system employs time gated illumination and detection systems to deal with the dynamic signal acquisition problems associated with in vivo measurements of a beating heart. Spectral data processing software evaluates and processes the data to produce a simple numerical score. Results of measurements made on 100 excised transplanted isograft and allograft rat hearts have demonstrated the ability of the system to detect the presence of rejection and to accurately correlate the spectroscopic results with the ISHLT (International Society for Heart and Lung Transplantation) stage of rejection determined by histopathology. In vivo measurements using a pig transplant model are now in process.

  18. Novel Implementations of Faraday Rotation Spectroscopy - from In-Situ Radical Detection to Studies of Environmental Nitrogen Cycling

    NASA Astrophysics Data System (ADS)

    Zhang, Eric; Westberg, Jonas; Wysocki, Gerard

    2016-06-01

    Radical species play an important role in various chemical processes spanning atmospheric chemistry (e.g. ozone formation), bio-medical science, and combustion. These highly reactive chemicals usually occur at very low concentration levels, and are difficult to quantify in experiments1. Generally, laser-based techniques rely on careful selection of the target transition to minimize spectral interference and achieve high selectivity. In case of complex gas mixtures (such as air) a possibility of spectral interference always exists. Since Faraday rotation spectroscopy (FRS) is sensitive only to paramagnetic species (radicals), it can simultaneously provide ultra-high sensitivity and selectivity. In this talk an overview of novel designs of FRS instrumentation as well as applications of FRS sensing will be provided. Examples will be given for FRS systems that routinely operate at the fundamental limits of optical detection, cavity-enhanced FRS detection schemes for sensitivity enhancement towards sub-pptv detection limits2, and high-accuracy FRS spectrometers designed specifically for ratiometry of nitrogen isotopes (14N, 15N)3. Prospects for the FRS technology to monitor important atmospheric molecules such as HOx radicals (atmospheric "cleansing" agents) will be discussed. References: 1. Wennberg et al., "Aircraft-borne, laser-induced fluorescence instrument for the in situ detection of hydroxyl and hydroperoxyl radicals," Rev. Sci. Instrum. 65, 1858-1876 (1994). 2. Westberg et al., "Optical feedback cavity-enhanced Faraday rotation spectroscopy for oxygen detection," in CES2015(Boulder, CO, 2015). 3. Zhang, "Nitric Oxide Isotopic Analyzer Based on a Compact Dual-Modulation Faraday Rotation Spectrometer," Sensors 15, 25992 (2015).

  19. Application of SERS spectroscopy for detection of trace components in urinary deposits

    NASA Astrophysics Data System (ADS)

    Pucetaite, Milda; Velicka, Martynas; Tamosaityte, Sandra; Sablinskas, Valdas

    2014-03-01

    Surface-enhanced Raman scattering (SERS) spectroscopy can be a useful tool in regard to disease diagnosis and prevention. Advantage of SERS over conventional Raman spectroscopy is its significantly increased signal (up to factor of 106-108) which allows detection of trace amounts of substances in the sample. So far, this technique is successfully used for analysis of food, pieces of art and various biochemical/biomedical samples. In this work, we survey the possibility of applying SERS spectroscopy for detection of trace components in urinary deposits. Early discovery together with the identification of the exact chemical composition of urinary sediments could be crucial for taking appropriate preventive measures that inhibit kidney stone formation or growth processes. In this initial study, SERS spectra (excitation wavelength - 1064 nm) of main components of urinary deposits (calcium oxalate, uric acid, cystine, etc.) were recorded by using silver (Ag) colloid. Spectra of 10-3-10-5 M solutions were obtained. While no/small Raman signal was detected without the Ag colloid, characteristic peaks of the substances could be clearly separated in the SERS spectra. This suggests that even small amounts of the components could be detected and taken into account while determining the type of kidney stone forming in the urinary system. We found for the first time that trace amounts of components constituting urinary deposits could be detected by SERS spectroscopy. In the future study, the analysis of centrifuged urine samples will be carried out.

  20. Radiation detection system for portable gamma-ray spectroscopy

    DOEpatents

    Rowland, Mark S.; Howard, Douglas E.; Wong, James L.; Jessup, James L.; Bianchini, Greg M.; Miller, Wayne O.

    2006-06-20

    A portable gamma ray detection apparatus having a gamma ray detector encapsulated by a compact isolation structure having at least two volumetrically-nested enclosures where at least one is a thermal shield. The enclosures are suspension-mounted to each other to successively encapsulate the detector without structural penetrations through the thermal shields. A low power cooler is also provided capable of cooling the detector to cryogenic temperatures without consuming cryogens, due to the heat load reduction by the isolation structure and the reduction in the power requirements of the cooler. The apparatus also includes a lightweight portable power source for supplying power to the apparatus, including to the cooler and the processing means, and reducing the weight of the apparatus to enable handheld operation or toting on a user's person.

  1. Detection of explosives based on surface-enhanced Raman spectroscopy.

    PubMed

    Wackerbarth, Hainer; Salb, Christian; Gundrum, Lars; Niederkrüger, Matthias; Christou, Konstantin; Beushausen, Volker; Viöl, Wolfgang

    2010-08-10

    In this study we present a device based on surface-enhanced Raman scattering (SERS) for the detection of airborne explosives. The explosives are resublimated on a cooled nanostructured gold substrate. The explosives trinitrotoluene (TNT) and triacetone triperoxide (TATP) are used. The SERS spectrum of the explosives is analyzed. Thus, TNT is deposited from an acetonitrile solution on the gold substrate. In the case of TATP, first the bulk TATP Raman spectrum was recorded and compared with the SERS spectrum, generated by deposition out of the gas phase. The frequencies of the SERS spectrum are hardly shifted compared to the spectrum of bulk TATP. The influence of the nanostructured gold substrate temperature on the signals of TATP was studied. A decrease in temperature up to 200 K increased the intensities of the TATP bands in the SERS spectrum; below 200 K, the TATP fingerprint disappeared. PMID:20697437

  2. Detection of explosives based on surface-enhanced Raman spectroscopy.

    PubMed

    Wackerbarth, Hainer; Salb, Christian; Gundrum, Lars; Niederkrüger, Matthias; Christou, Konstantin; Beushausen, Volker; Viöl, Wolfgang

    2010-08-10

    In this study we present a device based on surface-enhanced Raman scattering (SERS) for the detection of airborne explosives. The explosives are resublimated on a cooled nanostructured gold substrate. The explosives trinitrotoluene (TNT) and triacetone triperoxide (TATP) are used. The SERS spectrum of the explosives is analyzed. Thus, TNT is deposited from an acetonitrile solution on the gold substrate. In the case of TATP, first the bulk TATP Raman spectrum was recorded and compared with the SERS spectrum, generated by deposition out of the gas phase. The frequencies of the SERS spectrum are hardly shifted compared to the spectrum of bulk TATP. The influence of the nanostructured gold substrate temperature on the signals of TATP was studied. A decrease in temperature up to 200 K increased the intensities of the TATP bands in the SERS spectrum; below 200 K, the TATP fingerprint disappeared.

  3. Remote tree species identification in a diverse tropical forest using airborne imaging spectroscopy

    NASA Astrophysics Data System (ADS)

    Baldeck, C.; Asner, G. P.; Kellner, J. R.; Martin, R.; Anderson, C.; Knapp, D. E.

    2013-12-01

    Plant species identification and mapping based on remotely-sensed spectral signatures is a challenging task with the potential to contribute enormously to ecological studies. This task is especially difficult in highly diverse ecosystems such as tropical forests, and for these ecosystems it may be more strategic to direct efforts to identifying crowns of a focal species. We used imaging spectrometer data collected by the Carnegie Airborne Observatory over Barro Colorado Island, Panama, to develop classification models for the identification of tree crowns belonging to selected focal species. We explored alternative methods for detecting crowns of focal species, which included binary, one-class, and biased support vector machines (SVM). Best performance was given by binary and biased SVM, with poor performance observed for one-class SVM. Binary and biased SVM were able to identify crowns of focal species with classification sensitivity and specificity of 87-91% and 89-94%, respectively. The main tradeoff between binary and biased SVM is that construction of binary SVM requires a far greater amount of training data while biased SVM is more difficult to parameterize. Our results show that with sufficient training data, focal species can be mapped with a high degree of accuracy, in terms of both sensitivity and specificity, in this diverse tropical forest.

  4. Identification of Yersinia enterocolitica at the Species and Subspecies Levels by Fourier Transform Infrared Spectroscopy

    PubMed Central

    Kuhm, Andrea Elisabeth; Suter, Daniel; Felleisen, Richard; Rau, Jörg

    2009-01-01

    Yersinia enterocolitica and other Yersinia species, such as Y. pseudotuberculosis, Y. bercovieri, and Y. intermedia, were differentiated using Fourier transform infrared spectroscopy (FT-IR) combined with artificial neural network analysis. A set of well defined Yersinia strains from Switzerland and Germany was used to create a method for FT-IR-based differentiation of Yersinia isolates at the species level. The isolates of Y. enterocolitica were also differentiated by FT-IR into the main biotypes (biotypes 1A, 2, and 4) and serotypes (serotypes O:3, O:5, O:9, and “non-O:3, O:5, and O:9”). For external validation of the constructed methods, independently obtained isolates of different Yersinia species were used. A total of 79.9% of Y. enterocolitica sensu stricto isolates were identified correctly at the species level. The FT-IR analysis allowed the separation of all Y. bercovieri, Y. intermedia, and Y. rohdei strains from Y. enterocolitica, which could not be differentiated by the API 20E test system. The probability for correct biotype identification of Y. enterocolitica isolates was 98.3% (41 externally validated strains). For correct serotype identification, the probability was 92.5% (42 externally validated strains). In addition, the presence or absence of the ail gene, one of the main pathogenicity markers, was demonstrated using FT-IR. The probability for correct identification of isolates concerning the ail gene was 98.5% (51 externally validated strains). This indicates that it is possible to obtain information about genus, species, and in the case of Y. enterocolitica also subspecies type with a single measurement. Furthermore, this is the first example of the identification of specific pathogenicity using FT-IR. PMID:19617388

  5. Characterization of the species-dependent ketoprofen/albumin binding modes by induced CD spectroscopy and TD-DFT calculations.

    PubMed

    Tedesco, Daniele; Pistolozzi, Marco; Zanasi, Riccardo; Bertucci, Carlo

    2015-08-10

    The stereospecificity of high-affinity biorecognition phenomena at the basis of the activity of drugs is an important topic of active research in medicinal chemistry. The binding of drugs to their targets or to carrier proteins may lead to the onset of an induced circular dichroism (ICD) signal, which can be detected experimentally. Quantum mechanical (QM) calculations based on density functional theory (DFT) and its time-dependent formulation (TD-DFT) can be used to determine the theoretical chiroptical response of all the possible conformations of drugs bound to their hosts; by comparison with the experimental ICD spectra of drug-host complexes, this approach can lead to the identification of possible binding modes in the absence of X-ray crystallography or NMR data. The present article reports the application of experimental electronic circular dichroism (ECD) spectroscopy, DFT conformational analysis and TD-DFT calculations to the investigation of the binding modes of (S)-ketoprofen to serum albumins. The peculiar species-dependent ICD spectra observed for the binding of (S)-ketoprofen to different serum albumins can be explained by the selection of different mutual arrangements of the phenyl moieties inside the binding pocket. Such structural elucidations contribute to a better understanding of the changes in the pharmacokinetic and pharmacodynamic profiles of drugs among different species.

  6. Electrochemical impedance spectroscopy based-on interferon-gamma detection

    NASA Astrophysics Data System (ADS)

    Li, Guan-Wei; Kuo, Yi-Ching; Tsai, Pei-I.; Lee, Chih-Kung

    2014-03-01

    Tuberculosis (TB) is an ancient disease constituted a long-term menace to public health. According to World Health Organization (WHO), mycobacterium tuberculosis (MTB) infected nearly a third of people of the world. There is about one new TB occurrence every second. Interferon-gamma (IFN-γ) is associated with susceptibility to TB, and interferongamma release assays (IGRA) is considered to be the best alternative of tuberculin skin test (TST) for diagnosis of latent tuberculosis infection (LTBI). Although significant progress has been made with regard to the design of enzyme immunoassays for IFN-γ, adopting this assay is still labor-intensive and time-consuming. To alleviate these drawbacks, we used IFN-γ antibody to facilitate the detection of IFN-γ. An experimental verification on the performance of IGRA was done in this research. We developed two biosensor configurations, both of which possess high sensitivity, specificity, and rapid IFN-γ diagnoses. The first is the electrochemical method. The second is a circular polarization interferometry configuration, which incorporates two light beams with p-polarization and s-polarization states individually along a common path, a four photo-detector quadrature configuration to arrive at a phase modulated ellipsometer. With these two methods, interaction between IFN-γ antibody and IFN-γ were explored and presented in detail.

  7. Nanogap Dielectric Spectroscopy for Aptamer-Based Protein Detection

    PubMed Central

    Mannoor, Manu Sebastian; James, Teena; Ivanov, Dentcho V.; Beadling, Les; Braunlin, William

    2010-01-01

    Abstract Among the various label-free methods for monitoring biomolecular interactions, capacitive sensors stand out due to their simple instrumentation and compatibility with multiplex formats. However, electrode polarization due to ion gradient formation and noise from solution conductance limited early dielectric spectroscopic measurements to high frequencies only, which in turn limited their sensitivity to biomolecular interactions, as the applied excitation signals were too fast for the charged macromolecules to respond. To minimize electrode polarization effects, capacitive sensors with 20 nm electrode separation were fabricated using silicon dioxide sacrificial layer techniques. The nanoscale separation of the capacitive electrodes in the sensor results in an enhanced overlapping of electrical double layers, and apparently a more ordered “ice-like” water structure. Such effects in turn reduce low frequency contributions from bulk sample resistance and from electrode polarization, and thus markedly enhance sensitivity toward biomolecular interactions. Using these nanogap capacitive sensors, highly sensitive, label-free aptamer-based detection of protein molecules is achieved. PMID:20159169

  8. Preliminary Work to Alma: Submillimeter Wave Spectroscopy of ^{18}O and D Species of Methyl Formate

    NASA Astrophysics Data System (ADS)

    Margulès, L.; Motiyenko, R.; Huet, T. R.; Møllendal, H.; Guillemin, J.-C.; Demyk, K.; Carvajal, M.; Kleiner, I.; Coudert, L. H.

    2009-06-01

    New radiotelescopes, working in the submillimeter range, will be operating in the next few years: ALMA, Herschel, and SOFIA. A large amount of laboratory work is required in order to account for the increased resolution and accuracy needed to analyze the numerous data which will be obtained with these new instruments. There is a strong interest of the astrophysical community in isotopic species for two main reasons: (i) Their detection provides us with key information about interstellar chemical modeling, especially for complex organic molecules, like methyl formate, as their formation mechanisms is not well understood yet. (ii) They are responsible for a large fraction of U-lines and their assignments are necessary to allow the detection of new species. In this context we continue a systematic study of the isotopic species of methyl formate (HCOOCH_3) initiated with H^{13}COOCH_3. Our next investigation of HCOO^{13}CH_3 allowed us the detection of 500 lines in Orion. The treatment of the data concerning methyl formate is not obvious due to the internal rotation of the methyl group. This treatment is different in case of a symmetric (CH_3) or an asymmetric (CHD_2) rotor part. We will report here on recent results obtained for DCOOCH_3, HCOOCHD_2, HC^{18}OOCH_3, and HCO^{18}OCH_3. [2] Willaert, Møllendal, Alekseev, et al. J. Mol. Struct. 795 (2006) [3] Carvajal, Margules, Tercero, et al. Astron. Astrophys. (2009) in press

  9. Drop coating deposition Raman spectroscopy of blood plasma for the detection of colorectal cancer

    NASA Astrophysics Data System (ADS)

    Li, Pengpeng; Chen, Changshui; Deng, Xiaoyuan; Mao, Hua; Jin, Shaoqin

    2015-03-01

    We have recently applied the technique of drop coating deposition Raman (DCDR) spectroscopy for colorectal cancer (CRC) detection using blood plasma. The aim of this study was to develop a more convenient and stable method based on blood plasma for noninvasive CRC detection. Significant differences are observed in DCDR spectra between healthy (n=105) and cancer (n=75) plasma from 15 CRC patients and 21 volunteers, particularly in the spectra that are related to proteins, nucleic acids, and β-carotene. The multivariate analysis principal components analysis and the linear discriminate analysis, together with leave-one-out, cross validation were used on DCDR spectra and yielded a sensitivity of 100% (75/75) and specificity of 98.1% (103/105) for detection of CRC. This study demonstrates that DCDR spectroscopy of blood plasma associated with multivariate statistical algorithms has the potential for the noninvasive detection of CRC.

  10. Hyperspectral image analysis for standoff trace detection using IR laser spectroscopy

    NASA Astrophysics Data System (ADS)

    Jarvis, J.; Fuchs, F.; Hugger, S.; Ostendorf, R.; Butschek, L.; Yang, Q.; Dreyhaupt, A.; Grahmann, J.; Wagner, J.

    2016-05-01

    In the recent past infrared laser backscattering spectroscopy using Quantum Cascade Lasers (QCL) emitting in the molecular fingerprint region between 7.5 μm and 10 μm proved a highly promising approach for stand-off detection of dangerous substances. In this work we present an active illumination hyperspectral image sensor, utilizing QCLs as spectral selective illumination sources. A high performance Mercury Cadmium Telluride (MCT) imager is used for collection of the diffusely backscattered light. Well known target detection algorithms like the Adaptive Matched Subspace Detector and the Adaptive Coherent Estimator are used to detect pixel vectors in the recorded hyperspectral image that contain traces of explosive substances like PETN, RDX or TNT. In addition we present an extension of the backscattering spectroscopy technique towards real-time detection using a MOEMS EC-QCL.

  11. Drop coating deposition Raman spectroscopy of blood plasma for the detection of colorectal cancer.

    PubMed

    Li, Pengpeng; Chen, Changshui; Deng, Xiaoyuan; Mao, Hua; Jin, Shaoqin

    2015-03-01

    We have recently applied the technique of drop coating deposition Raman (DCDR) spectroscopy for colorectal cancer (CRC) detection using blood plasma. The aim of this study was to develop a more convenient and stable method based on blood plasma for noninvasive CRC detection. Significant differences are observed in DCDR spectra between healthy (n = 105) and cancer (n = 75) plasma from 15 CRC patients and 21 volunteers, particularly in the spectra that are related to proteins, nucleic acids, and β-carotene. The multivariate analysis principal components analysis and the linear discriminate analysis, together with leave-one-out, cross validation were used on DCDR spectra and yielded a sensitivity of 100% (75/75) and specificity of 98.1% (103/105) for detection of CRC. This study demonstrates that DCDR spectroscopy of blood plasma associated with multivariate statistical algorithms has the potential for the noninvasive detection of CRC.

  12. Multi-species sensing using multi-mode absorption spectroscopy with mid-infrared interband cascade lasers

    NASA Astrophysics Data System (ADS)

    O'Hagan, S.; Northern, J. H.; Gras, B.; Ewart, P.; Kim, C. S.; Kim, M.; Merritt, C. D.; Bewley, W. W.; Canedy, C. L.; Vurgaftman, I.; Meyer, J. R.

    2016-06-01

    The application of an interband cascade laser, ICL, to multi-mode absorption spectroscopy, MUMAS, in the mid-infrared region is reported. Measurements of individual mode linewidths of the ICL, derived from the pressure dependence of lineshapes in MUMAS signatures of single, isolated, lines in the spectrum of HCl, were found to be in the range 10-80 MHz. Multi-line spectra of methane were recorded using spectrally limited bandwidths, of approximate width 27 cm-1, defined by an interference filter, and consist of approximately 80 modes at spectral locations spanning the 100 cm-1 bandwidth of the ICL output. Calibration of the methane pressures derived from MUMAS data using a capacitance manometer provided measurements with an uncertainty of 1.1 %. Multi-species sensing is demonstrated by the simultaneous detection of methane, acetylene and formaldehyde in a gas mixture. Individual partial pressures of the three gases are derived from best fits of model MUMAS signatures to the data with an experimental error of 10 %. Using an ICL, with an inter-mode interval of ~10 GHz, MUMAS spectra were recorded at pressures in the range 1-10 mbar, and, based on the data, a potential minimum detection limit of the order of 100 ppmv is estimated for MUMAS at atmospheric pressure using an inter-mode interval of 80 GHz.

  13. Deep Raman spectroscopy for the non-invasive standoff detection of concealed chemical threat agents.

    PubMed

    Izake, Emad L; Cletus, Biju; Olds, William; Sundarajoo, Shankaran; Fredericks, Peter M; Jaatinen, Esa

    2012-05-30

    Deep Raman spectroscopy has been utilized for the standoff detection of concealed chemical threat agents from a distance of 15 m under real life background illumination conditions. By using combined time and space resolved measurements, various explosive precursors hidden in opaque plastic containers were identified non-invasively. Our results confirm that combined time and space resolved Raman spectroscopy leads to higher selectivity towards the sub-layer over the surface layer as well as enhanced rejection of fluorescence from the container surface when compared to standoff spatially offset Raman spectroscopy. Raman spectra that have minimal interference from the packaging material and good signal-to-noise ratio were acquired within 5 s of measurement time. A new combined time and space resolved Raman spectrometer has been designed with nanosecond laser excitation and gated detection, making it of lower cost and complexity than picosecond-based laboratory systems. PMID:22608458

  14. Deep Raman spectroscopy for the non-invasive standoff detection of concealed chemical threat agents.

    PubMed

    Izake, Emad L; Cletus, Biju; Olds, William; Sundarajoo, Shankaran; Fredericks, Peter M; Jaatinen, Esa

    2012-05-30

    Deep Raman spectroscopy has been utilized for the standoff detection of concealed chemical threat agents from a distance of 15 m under real life background illumination conditions. By using combined time and space resolved measurements, various explosive precursors hidden in opaque plastic containers were identified non-invasively. Our results confirm that combined time and space resolved Raman spectroscopy leads to higher selectivity towards the sub-layer over the surface layer as well as enhanced rejection of fluorescence from the container surface when compared to standoff spatially offset Raman spectroscopy. Raman spectra that have minimal interference from the packaging material and good signal-to-noise ratio were acquired within 5 s of measurement time. A new combined time and space resolved Raman spectrometer has been designed with nanosecond laser excitation and gated detection, making it of lower cost and complexity than picosecond-based laboratory systems.

  15. Label-free detection and characterization of the binding of hemagglutinin protein and broadly neutralizing monoclonal antibodies using terahertz spectroscopy

    NASA Astrophysics Data System (ADS)

    Sun, Yiwen; Zhong, Junlan; Zhang, Cunlin; Zuo, Jian; Pickwell-MacPherson, Emma

    2015-03-01

    Hemagglutinin (HA) is the main surface glycoprotein of the influenza A virus. The H9N2 subtype influenza A virus is recognized as the most possible pandemic strain as it has crossed the species barrier, infecting swine and humans. We use terahertz spectroscopy to study the hydration shell formation around H9 subtype influenza A virus's HA protein (H9 HA) as well as the detection of antigen binding of H9 HA with the broadly neutralizing monoclonal antibody. We observe a remarkable concentration dependent nonlinear response of the H9 HA, which reveals the formation process of the hydration shell around H9 HA molecules. Furthermore, we show that terahertz dielectric properties of the H9 HA are strongly affected by the presence of the monoclonal antibody F10 and that the terahertz dielectric loss tangent can be used to detect the antibody binding at lower concentrations than the standard ELISA test.

  16. An investigation of micro-hollow cathode glow discharge generated optical emission spectroscopy for hydrocarbon detection and differentiation.

    PubMed

    Vander Wal, Randy L; Gaddam, Chethan K; Kulis, Michael J

    2014-01-01

    The analytical utility of a micro-hollow cathode glow discharge plasma for detection of varied hydrocarbons was tested using acetone, ethanol, heptane, nitrobenzene, and toluene. Differences in fragmentation pathways, reflecting parent compound molecular structure, led to differences in optical emission patterns that can then potentially serve as signatures for the species of interest. Spectral simulations were performed emphasizing the CH (A(2)Δ-X(2)Π), CH (C(2)Σ-X(2)Π), and OH (A(2)Σ(+)-X(2)Π) electronic systems. The analytical utility of selected emission lines is demonstrated by a linear relationship between optical emission spectroscopy and parent compound concentration over a wide range, with detection limits extending down to parts per billion (ppb) levels.

  17. Detection of viruses: atomic force microscopy and surface enhanced raman spectroscopy

    Technology Transfer Automated Retrieval System (TEKTRAN)

    This paper demonstrated the capability of atomic force microscopy (AFM) and surface enhanced Raman spectroscopy (SERS) to function effectively as ultra-sensitive readout tools for chip-scale platforms designed for pathogen detection in complex biological media. AFM allows direct (i.e. label-free) vi...

  18. Investigation of surface enhanced Raman spectroscopy for hemozoin detection in malaria diagnosis

    NASA Astrophysics Data System (ADS)

    Chen, Keren; Xiong, Aoli; Yuen, Clement; Preiser, Peter; Liu, Quan

    2016-03-01

    We report two methods of surface enhanced Raman spectroscopy (SERS) for hemozoin detection in malaria infected human blood. In the first method, silver nanoparticles were synthesized separately and then mixed with lysed blood; while in the second method, silver nanoparticles were synthesized directly inside the parasites of Plasmodium falciparum.

  19. Fluid Properties Measurements Using Wavelength Modulation Spectroscopy with First Harmonic Detection

    NASA Technical Reports Server (NTRS)

    Chen, Shin-Juh (Inventor); Silver, Joel A. (Inventor)

    2014-01-01

    An apparatus and method for monitoring gas velocity, temperature, and pressure in combustion systems and flow devices, in particular at inlets and isolators of scramjet engines. The invention employs wavelength modulation spectroscopy with first harmonic detection and without the need to scan the full absorption spectra.

  20. Surface enhanced raman spectroscopy technique in rapid detection of live and dead salmonella cells

    Technology Transfer Automated Retrieval System (TEKTRAN)

    Many research proved that Surface Enhanced Raman Spectroscopy (SERS) can detect pathogens rapidly and accurately. In this study, a silver metal substrate was used for the selected common food pathogen Salmonella typhimurium bacteria. Nano silver rods were deposited on a thin titanium coating over t...

  1. Stand-off detection of explosives and precursors using compressive sensing Raman spectroscopy

    NASA Astrophysics Data System (ADS)

    Svanqvist, Mattias; Glimtoft, Martin; Ågren, Matilda; Nordberg, Markus; Östmark, Henric

    2016-05-01

    We present initial results on the performance of a compressive sensing setup for Raman imaging spectroscopy for standoff trace explosives detection. Hyperspectral image reconstruction is demonstrated under low signal conditions and successful spatial separation of substances with close lying Raman peaks is shown.

  2. Effective localized collection and identification of airborne species through electrodynamic precipitation and SERS-based detection

    PubMed Central

    Lin, En-Chiang; Fang, Jun; Park, Se-Chul; Johnson, Forrest W.; Jacobs, Heiko O.

    2013-01-01

    Various nanostructured sensor designs currently aim to achieve or claim single molecular detection by a reduction of the active sensor size. However, a reduction of the sensor size has the negative effect of reducing the capture probability considering the diffusion-based analyte transport commonly used. Here we introduce and apply a localized programmable electrodynamic precipitation concept as an alternative to diffusion. The process provides higher collection rates of airborne species and detection at lower concentration. As an example, we compare an identical nanostructured surfaced-enhanced Raman spectroscopy sensor with and without localized delivery and find that the sensitivity and detection time is improved by at least two orders of magnitudes. Localized collection in an active-matrix array-like fashion is also tested, yielding hybrid molecular arrays on a single chip over a broad range of molecular weights, including small benzenethiol (110.18 Da) and 4-fluorobenzenethiol (128.17 Da), or large macromolecules such as anti-mouse IgG (~150 kDa). PMID:23535657

  3. Thz Spectroscopy of 13C Isotopic Species of a "weed": Acetaldehyde

    NASA Astrophysics Data System (ADS)

    Margulès, L.; Motiyenko, R. A.; Guillemin, J.-C.

    2011-06-01

    Our studies of the isotopic species of 13C and D isotopologues of methyl formate (HCOOCH_3), have allowed the detection of more than 600 lines in Orion. This confirms that many observed U-lines are coming from isotopic species of one of the most abundant molecules in space. Since its first detection in 1976 in SgrB2 and in Orion A, acetaldehyde (CH_3CHO) was detected in many other numerous objects. If its deuterated species (CD_3CHO and CH_3CDO) have been previously studied in the millimeterwave range, the data concerning the 13C species are limited to few lines measured in 1957 up to 40 GHz. In this context we decided to study the 13C species of acetaldehyde. Acetaldehyde molecule displays a large amplitude motion: the hindered rotation of the methyl group with respect to the rest of the molecule. The analysis is performed with the Rho Axis Method. Recent versions of the codes include high orders term in order to reproduce the observed frequencies for large quantum numbers values as J-values as high as 70a,b,. Measurements and analysis of the rotational spectra of 13C isotopic species are in progress in Lille with a solid-state submillimetre-wave spectrometer (50-950 GHz), the first results will be presented. This work is supported by the contract ANR-08-BLAN-0054 and by the Programme National de Physico-Chimie du Milieu Interstellaire (PCMI-CNRS). Carvajal, M.; Margulès, L.; Tercero, B.; et al.A&A 500, (2009) 1109 Margulès, L.; Huet, T. R.; Demaison J.; et al.,ApJ 714, (2010) 1120. Ikeda, M.; Ohishi, M.; Nummelin, A.; et al., ApJ, 560, (2001) 792 Kleiner, I.; Lopez, J.-C.; Blanco, S.; et al.J. Mol. Spectrosc. 197, (1999) 275 Elkeurti M.; Coudert, L. H.; Medvedev, I. R.; et al.J. Mol. Spectrosc. 263, (2010) 145 Kilb, R.W.; Lin, C.C.; and Wilson, E.B.J. Chem. Phys. 26, (1957) 1695 Kleiner, I. J. Mol. Spectrosc. 260, (2010) 1 Ilyushin, V.V.; Kryvda, A; and Alekseev, E;J. Mol. Spectrosc. 255, (2009) 32

  4. Non-destructive state detection for quantum logic spectroscopy of molecular ions.

    PubMed

    Wolf, Fabian; Wan, Yong; Heip, Jan C; Gebert, Florian; Shi, Chunyan; Schmidt, Piet O

    2016-02-25

    Precision laser spectroscopy of cold and trapped molecular ions is a powerful tool in fundamental physics--used, for example, in determining fundamental constants, testing for their possible variation in the laboratory, and searching for a possible electric dipole moment of the electron. However, the absence of cycling transitions in molecules poses a challenge for direct laser cooling of the ions, and for controlling and detecting their quantum states. Previously used state-detection techniques based on photodissociation or chemical reactions are destructive and therefore inefficient, restricting the achievable resolution in laser spectroscopy. Here, we experimentally demonstrate non-destructive detection of the quantum state of a single trapped molecular ion through its strong Coulomb coupling to a well controlled, co-trapped atomic ion. An algorithm based on a state-dependent optical dipole force changes the internal state of the atom according to the internal state of the molecule. We show that individual quantum states in the molecular ion can be distinguished by the strength of their coupling to the optical dipole force. We also observe quantum jumps (induced by black-body radiation) between rotational states of a single molecular ion. Using the detuning dependence of the state-detection signal, we implement a variant of quantum logic spectroscopy of a molecular resonance. Our state-detection technique is relevant to a wide range of molecular ions, and could be applied to state-controlled quantum chemistry and to spectroscopic investigations of molecules that serve as probes for interstellar clouds.

  5. Non-destructive state detection for quantum logic spectroscopy of molecular ions.

    PubMed

    Wolf, Fabian; Wan, Yong; Heip, Jan C; Gebert, Florian; Shi, Chunyan; Schmidt, Piet O

    2016-02-25

    Precision laser spectroscopy of cold and trapped molecular ions is a powerful tool in fundamental physics--used, for example, in determining fundamental constants, testing for their possible variation in the laboratory, and searching for a possible electric dipole moment of the electron. However, the absence of cycling transitions in molecules poses a challenge for direct laser cooling of the ions, and for controlling and detecting their quantum states. Previously used state-detection techniques based on photodissociation or chemical reactions are destructive and therefore inefficient, restricting the achievable resolution in laser spectroscopy. Here, we experimentally demonstrate non-destructive detection of the quantum state of a single trapped molecular ion through its strong Coulomb coupling to a well controlled, co-trapped atomic ion. An algorithm based on a state-dependent optical dipole force changes the internal state of the atom according to the internal state of the molecule. We show that individual quantum states in the molecular ion can be distinguished by the strength of their coupling to the optical dipole force. We also observe quantum jumps (induced by black-body radiation) between rotational states of a single molecular ion. Using the detuning dependence of the state-detection signal, we implement a variant of quantum logic spectroscopy of a molecular resonance. Our state-detection technique is relevant to a wide range of molecular ions, and could be applied to state-controlled quantum chemistry and to spectroscopic investigations of molecules that serve as probes for interstellar clouds. PMID:26855427

  6. Improved detection limits in PIXE analysis employing wavelength dispersive X-ray spectroscopy

    NASA Astrophysics Data System (ADS)

    Kavčič, M.

    2010-11-01

    A wavelength dispersive X-ray spectroscopy was employed to measure the proton induced Lα X-ray emission spectra of Ag, Pd and Cd targets in order to lower detection limits for trace amounts of Pd and Cd in silver matrix. The measurements were performed with a Johansson-type crystal spectrometer having an energy resolution below the natural linewidths of the measured L X-ray lines. As a direct consequence of such ultrahigh experimental energy resolution, detection limits of only few tens of ppm were reached. The method presented in this work can be used in general to improve substantially PIXE detection limits compared to standard energy dispersive spectroscopy for the measurement of trace elements with atomic number in the close vicinity of the atomic number of the target matrix element.

  7. Spectrum sensing of trace C(2)H(2) detection in differential optical absorption spectroscopy technique.

    PubMed

    Chen, Xi; Dong, Xiaopeng

    2014-09-10

    An improved algorithm for trace C(2)H(2) detection is presented in this paper. The trace concentration is accurately calculated by focusing on the absorption spectrum from the frequency domain perspective. The advantage of the absorption spectroscopy frequency domain algorithm is its anti-interference capability. First, the influence of the background noise on the minimum detectable concentration is greatly reduced. Second, the time-consuming preprocess of spectra calibration in the differential optical absorption spectroscopy technique is skipped. Experimental results showed the detection limit of 50 ppm is achieved at a lightpath length of 0.2 m. This algorithm can be used in real-time spectrum analysis with high accuracy.

  8. Raman spectroscopy as a screening tool for ancient life detection on Mars.

    PubMed

    Marshall, Craig P; Marshall, Alison Olcott

    2014-12-13

    The search for sp(2)-bonded carbonaceous material is one of the major life detection strategies of the astrobiological exploration programmes of National Aeronautics and Space Administration and European Space Agency (ESA). The ESA ExoMars rover scheduled for launch in 2018 will include a Raman spectrometer with the goal of detecting sp(2)-bonded carbonaceous material as potential evidence of ancient life. However, sp(2)-bonded carbonaceous material will yield the same Raman spectra of well-developed G and D bands whether they are synthesized biologically or non-biologically. Therefore, the origin and source of sp(2)-bonded carbonaceous material cannot be elucidated by Raman spectroscopy alone. Here, we report the combined approach of Raman spectroscopy and gas chromatography-mass spectrometry biomarker analysis to Precambrian sedimentary rocks, which taken together, provides a promising new methodology for readily detecting and rapidly screening samples for immature organic material amenable to successful biomarker analysis. PMID:25368343

  9. Raman spectroscopy as a screening tool for ancient life detection on Mars.

    PubMed

    Marshall, Craig P; Marshall, Alison Olcott

    2014-12-13

    The search for sp(2)-bonded carbonaceous material is one of the major life detection strategies of the astrobiological exploration programmes of National Aeronautics and Space Administration and European Space Agency (ESA). The ESA ExoMars rover scheduled for launch in 2018 will include a Raman spectrometer with the goal of detecting sp(2)-bonded carbonaceous material as potential evidence of ancient life. However, sp(2)-bonded carbonaceous material will yield the same Raman spectra of well-developed G and D bands whether they are synthesized biologically or non-biologically. Therefore, the origin and source of sp(2)-bonded carbonaceous material cannot be elucidated by Raman spectroscopy alone. Here, we report the combined approach of Raman spectroscopy and gas chromatography-mass spectrometry biomarker analysis to Precambrian sedimentary rocks, which taken together, provides a promising new methodology for readily detecting and rapidly screening samples for immature organic material amenable to successful biomarker analysis.

  10. Detection of Explosives Using Differential Laser-Induced Perturbation Spectroscopy with a Raman-based Probe.

    PubMed

    Oztekin, Erman K; Burton, Dallas J; Hahn, David W

    2016-04-01

    Explosives detection is carried out with a novel spectral analysis technique referred to as differential laser-induced perturbation spectroscopy (DLIPS) on thin films of TNT, RDX, HMX, and PETN. The utility of Raman spectroscopy for detection of explosives is enhanced by inducing deep ultraviolet laser perturbation on molecular structures in combination with a differential Raman sensing scheme. Principal components analysis (PCA) is used to quantify the DLIPS method as benchmarked against a traditional Raman scattering probe, and the related photo-induced effects on the molecular structure of the targeted explosives are discussed in detail. Finally, unique detection is observed with TNT samples deposited on commonly available background substrates of nylon and polyester. Overall, the data support DLIPS as a noninvasive method that is promising for screening explosives in real-world environments and backgrounds.

  11. Modelling community dynamics based on species-level abundance models from detection/nondetection data

    USGS Publications Warehouse

    Yamaura, Yuichi; Royle, J. Andrew; Kuboi, Kouji; Tada, Tsuneo; Ikeno, Susumu; Makino, Shun'ichi

    2011-01-01

    1. In large-scale field surveys, a binary recording of each species' detection or nondetection has been increasingly adopted for its simplicity and low cost. Because of the importance of abundance in many studies, it is desirable to obtain inferences about abundance at species-, functional group-, and community-levels from such binary data. 2. We developed a novel hierarchical multi-species abundance model based on species-level detection/nondetection data. The model accounts for the existence of undetected species, and variability in abundance and detectability among species. Species-level detection/nondetection is linked to species- level abundance via a detection model that accommodates the expectation that probability of detection (at least one individuals is detected) increases with local abundance of the species. We applied this model to a 9-year dataset composed of the detection/nondetection of forest birds, at a single post-fire site (from 7 to 15 years after fire) in a montane area of central Japan. The model allocated undetected species into one of the predefined functional groups by assuming a prior distribution on individual group membership. 3. The results suggest that 15–20 species were missed in each year, and that species richness of communities and functional groups did not change with post-fire forest succession. Overall abundance of birds and abundance of functional groups tended to increase over time, although only in the winter, while decreases in detectabilities were observed in several species. 4. Synthesis and applications. Understanding and prediction of large-scale biodiversity dynamics partly hinge on how we can use data effectively. Our hierarchical model for detection/nondetection data estimates abundance in space/time at species-, functional group-, and community-levels while accounting for undetected individuals and species. It also permits comparison of multiple communities by many types of abundance-based diversity and similarity

  12. Detection of metanil yellow contamination in turmeric using FT-Raman and FT-IR spectroscopy

    NASA Astrophysics Data System (ADS)

    Dhakal, Sagar; Chao, Kuanglin; Qin, Jianwei; Kim, Moon; Schmidt, Walter; Chan, Dian

    2016-05-01

    Turmeric is well known for its medicinal value and is often used in Asian cuisine. Economically motivated contamination of turmeric by chemicals such as metanil yellow has been repeatedly reported. Although traditional technologies can detect such contaminants in food, high operational costs and operational complexities have limited their use to the laboratory. This study used Fourier Transform Raman Spectroscopy (FT-Raman) and Fourier Transform - Infrared Spectroscopy (FT-IR) to identify metanil yellow contamination in turmeric powder. Mixtures of metanil yellow in turmeric were prepared at concentrations of 30%, 25%, 20%, 15%, 10%, 5%, 1% and 0.01% (w/w). The FT-Raman and FT-IR spectral signal of pure turmeric powder, pure metanil yellow powder and the 8 sample mixtures were obtained and analyzed independently to identify metanil yellow contamination in turmeric. The results show that FT-Raman spectroscopy and FT-IR spectroscopy can detect metanil yellow mixed with turmeric at concentrations as low as 1% and 5%, respectively, and may be useful for non-destructive detection of adulterated turmeric powder.

  13. [Quartz-enhanced photoacoustic spectroscopy trace gas detection system based on the Fabry-Perot demodulation].

    PubMed

    Lin, Cheng; Zhu, Yong; Wei, Wei; Zhang, Jie; Tian, Li; Xu, Zu-Wen

    2013-05-01

    An all-optical quartz-enhanced photoacoustic spectroscopy system, based on the F-P demodulation, for trace gas detection in the open environment was proposed. In quartz-enhanced photoacoustic spectroscopy (QEPAS), an optical fiber Fabry-Perot method was used to replace the conventional electronic demodulation method. The photoacoustic signal was obtained by demodulating the variation of the Fabry-Perot cavity between the quartz tuning fork side and the fiber face. An experimental system was setup. The experiment for detection of water vapour in the open environment was carried on. A normalized noise equivalent absorption coefficient of 2.80 x 10(-7) cm(-1) x W x Hz(-1/2) was achieved. The result demonstrated that the sensitivity of the all-optical quartz-enhanced photoacoustic spectroscopy system is about 2.6 times higher than that of the conventional QEPAS system. The all-optical quartz-enhanced photoacoustic spectroscopy system is immune to electromagnetic interference, safe in flammable and explosive gas detection, suitable for high temperature and high humidity environments and realizable for long distance, multi-point and network sensing.

  14. Detection and discrimination of four Aspergillus section Nigri species by PCR.

    PubMed

    Palumbo, J D; O'Keeffe, T L

    2015-02-01

    Species of Aspergillus section Nigri are not easily distinguished by traditional morphological techniques, and typically are identified by DNA sequencing methods. We developed four PCR primers to distinguish between Aspergillus niger, Aspergillus welwitschiae, Aspergillus carbonarius and Aspergillus tubingensis, based on species-conserved differences in the calmodulin gene sequence. PCR amplification from total DNA using these primers was species specific; no amplification occurred from nontarget species DNA for each primer pair. Species-specific PCR could distinguish between species in mixed DNA templates, indicating a utility in determining culture uniformity of isolated Aspergillus strains. In addition, with these primer sets, each species could be detected in soil following mixed-species inoculation with Aspergillus spores. This indicates that PCR with these species-specific primers may be useful in determining the distribution of Aspergillus species in environmental samples without the need for species identification from isolated strains, as well as detecting species that may be infrequently isolated by culture-based methods.

  15. Detecting the formation of single-walled carbon nanotube rings by photoabsorption spectroscopy

    NASA Astrophysics Data System (ADS)

    Hida, Akira; Suzuki, Takayuki; Ishibashi, Koji

    2016-08-01

    Photoabsorption spectroscopy was conducted on single-walled carbon nanotubes (SWNTs) during the formation of ring structures. The absorption bands observed before starting the formation gradually shifted while broadening in the middle. When they finally disappeared, it was found, via atomic force microscopy observations, that almost all SWNTs were transformed into rings. The spectral changes were assumed to be due to the changes in the electronic states of SWNTs. This idea was supported by the results of an investigation using a scanning tunneling microscope. It could be said that photoabsorption spectroscopy is useful for detecting ring formation in situ.

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

    PubMed

    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.

  17. Chirped laser dispersion spectroscopy for laser-based hydrogen sulfide detection in open-path conditions.

    PubMed

    Nikodem, Michał

    2016-05-16

    In this paper the design and characterization of a near-IR Chirped Laser Dispersion Spectroscopy (CLaDS)-based setup for hydrogen sulfide (H2S) detection is reported. This system can be implemented for open-path sensing also in standoff configuration. Target transition selection, system noise and detection limit are discussed and characterized. Furthermore, the cross-interference with other molecules is analyzed. CLaDS-based detection is shown to be highly immune to background carbon dioxide changes, which is a critical issue in accurate open-path sensing of hydrogen sulfide.

  18. Erythrocyte membrane analysis for type II diabetes detection using Raman spectroscopy in high-wavenumber region

    NASA Astrophysics Data System (ADS)

    Lin, Jinyong; Zeng, Yongyi; Lin, Juqiang; Wang, Jing; Li, Ling; Huang, Zufang; Li, Buhong; Zeng, Haishan; Chen, Rong

    2014-03-01

    Raman spectroscopy was employed to detect lipid variation occurring in type II diabetic erythrocyte membrane (EM) without using exogenous reagents. In high-wavenumber (HW) region, significant Raman spectral differences between diabetic and normal EM are observed at 2850, 2873, 2885, 2935, and 2965 cm-1, which are mainly related to lipid in EM. Based on principal component analysis, the diagnostic accuracy of HW region for diabetes detection is 98.8%, which is much higher than that of low-wavenumber region (82.9%). The results suggest that EM HW Raman region has great promise for the reagent-free and non-invasive detection of type II diabetes.

  19. Chemical species of sulfur in prostate cancer cells studied by XANES spectroscopy

    NASA Astrophysics Data System (ADS)

    Czapla, Joanna; Kwiatek, Wojciech M.; Lekki, Janusz; Dulińska-Litewka, Joanna; Steininger, Ralph; Göttlicher, Jörg

    2013-12-01

    The role of sulfur in prostate cancer progression may be significant for understanding the process of carcinogenesis. This work, based on X-ray Absorption Near Edge Structure (XANES) spectroscopy, is focused on determination of sulfur chemical species occurring in prostate cancer cell lines. The experimental material consisted of four commercially available cell lines: three from metastasized prostate cancer (PC3, LNCaP, and DU145) and one, used as a control, from the non-tumourigenic peripheral zone of the prostate (PZ-HPV-7). The experiment was performed at the SUL-X beamline of the synchrotron radiation source ANKA, Karlsruhe (Germany). The K-edge XANES spectra of sulfur were analyzed by deconvolution in order to establish sulfur species that occur in prostate cancer cells and to find out whether there are any differences in their content between various cell lines. Experimental spectra were fitted in two ways: with two Gaussian peaks and one arctangent step function, and additionally by a Linear Combination Fit with spectra of reference compounds in order to obtain quantitative chemical information. All fitting procedures were performed with the Athena code (Ravel and Newville, 2005) and the results of deconvolution were used to determine the fraction of each sulfur form. The results of data analysis showed that cell lines from different metastasis had different ratio of reduced to oxidized sulfur species. The LCF analysis demonstrated that the highest content of GSH, one of the most important sulfur-bearing compounds in cells, was observed in DU145 cells. These findings may confirm the hypothesis of changes in redox balance in case of cancer initiation and progression.

  20. Thermal Infrared Spectroscopy of Atmospheric Species Critical to Radiative Forcing of Earth's Climate

    NASA Astrophysics Data System (ADS)

    Brasunas, J. C., Jr.; Kostiuk, T.; Livengood, T. A.; Hewagama, T.; Kolasinski, J. R.

    2014-12-01

    Thermal-infrared (from about 6 to 100 or more microns wavelength), emission-mode Fourier transform spectrometer (FTS) systems acquire radiometric spectra for diurnal diagnostics of atmospheric properties. We have been funded through NASA's Planetary Instrument Definition and Development Program (PIDDP) to develop CIRS-lite as a lightweight successor to the Goddard-developed Cassini CIRS FTS currently operating in Saturn orbit. CIRS-lite also has promise for Earth science due to its modest mass, power and volume requirements and novel technical capabilities. For Earth, CIRS-lite supports the characterization of climate radiative forcing, including trace species measurements such as methane. Detection capability beyond the typical limit of HgCdTe focal planes (about 16 microns wavelength) enables a more complete characterization of the greenhouse effect. As for trace-species quantification, a beyond-HgCdTe focal plane permits characterization of water without overlapping lines from other species, enabling better measurements of these other species such as methane at wavelengths reachable by HgCdTe.

  1. Detection of atmospheric nitrogen dioxide using a miniaturised fibre-optic spectroscopy system and the ambient sunlight.

    PubMed

    Morales, J A; Walsh, J E

    2005-07-01

    A miniaturised fibre-optic spectrometer based system is presented for direct detection of one of the major atmospheric pollutants, nitrogen dioxide, by absorption spectroscopy using the ambient sunlight as light source. The detection system consists of a 10 cm collimator assembly, a fibre-optic cable and a portable diode-array spectrometer. The absorbance spectrum of the open-path is calculated using a reference spectrum recorded when the nitrogen dioxide (NO2) concentration in the atmosphere is low. The relative concentration of the pollutant is calculated normalising the detected spectra and subtracting the background broadband spectrum from the specific NO2 absorbance features, since the broadband spectrum changes according to atmospheric conditions and solar intensity. Wavelengths between 400 and 500 nm are used in order to maximise sensitivity and to avoid interference from other species. Calibration is carried out using Tedlar sample bags of known concentration of the pollutant. A commercial differential optical absorption spectroscopy (DOAS) system is used as a reference standard detection system to compare the results with the new system. Results show that detection of NO2 at typical urban atmospheric levels has been achieved using an inexpensive field based fibre-optic spectrometer and a readily available, easy to align, light source. In addition the new system can be used to get a semi-quantitative estimation of the nitrogen dioxide concentration within errors of 20%. While keeping the typical benefits of open-path techniques, the new system has important advantages over them such as cost, simplicity and portability. PMID:15911394

  2. Quantitative elemental detection of size-segregated particles using laser-induced breakdown spectroscopy

    NASA Astrophysics Data System (ADS)

    Wang, Zhen Zhen; Deguchi, Yoshihiro; Kuwahara, Masakazu; Taira, Takuya; Zhang, Xiao Bo; Yan, Jun Jie; Liu, Ji Ping; Watanabe, Hiroaki; Kurose, Ryoichi

    2013-09-01

    In order to simulate coal combustion and develop optimal and stable boiler control systems in real power plants, it is imperative to obtain the detailed information in coal combustion processes as well as to measure species contents in fly ash, which should be controlled and analyzed for enhancing boiler efficiency and reducing environmental pollution. The fly ash consists of oxides (SiO2, Al2O3, Fe2O3, CaO, and so on), unburned carbon, and other minor elements. Recently laser-induced breakdown spectroscopy (LIBS) technique has been applied to coal combustion and other industrial fields because of the fast response, high sensitivity, real-time and non-contact features. In these applications it is important to measure controlling factors without any sample preparation to maintain the real-time measurement feature. The relation between particle content and particle diameter is also one of the vital researches, because compositions of particles are dependent on their diameter. In this study, we have detected the contents of size-segregated particles using LIBS. Particles were classified by an Anderson cascade impactor and their contents were measured using the output of 1064 nm YAG laser, a spectrograph and an ICCD camera. The plasma conditions such as plasma temperature are dependent on the size of particles and these effects must be corrected to obtain quantitative information. The plasma temperature was corrected by the emission intensity ratio from the same atom. Using this correction method, the contents of particles can be measured quantitatively in fixed experimental parameters. This method was applied to coal and fly ash from a coal-fired burner to measure unburned carbon and other contents according to the particle diameter. The acquired results demonstrate that the LIBS technique is applicable to measure size-segregated particle contents in real time and this method is useful for the analysis of coal combustion and its control because of its sensitive and

  3. Effort and Potential Efficiencies for Aquatic Non-native Species Early Detection

    EPA Science Inventory

    This manuscript is based on the early aquatic non-native species detection research in the Duluth-Superior harbor. The problem of early detection is essentially that of a "needle in a haystack" - to detect a newly arrived and presumably rare non-native species with a high probabi...

  4. Evaluation of morphological and chemical aspects of different wood species by spectroscopy and thermal methods

    NASA Astrophysics Data System (ADS)

    Popescu, Maria-Cristina; Popescu, Carmen-Mihaela; Lisa, Gabriela; Sakata, Yusaku

    2011-03-01

    The aim of this study is to find the most convenient procedure to make an easy differentiation between various kinds of wood. The wood samples used were: fir (Acer alba), poplar (Populus tremula), lime (Tillia cordata), sycamore (Acer pseudoplatanus), sweet cherry (Prunus avium), hornbeam (Carpinus betulus), walnut (Juglans regia), beech (Fagus sylvatica), oak (Quercus robur). The methods of investigation used were FT-IR spectroscopy, X-ray diffraction and thermogravimetry. By FT-IR spectroscopy, was observed that the ratio values of lignin/carbohydrate IR bands for wood decreases with increasing the average wood density, showing a decrease in lignin content. Also, the calculated values of lignin percentage from the FT-IR spectra are in very good correlation with the values from literature. Following the deconvolution process of the X-ray diffraction patterns, it was found that the degree of crystallinity, the apparent lateral crystallite size, the proportion of crystallite interior chains and cellulose fraction tend to increase with increasing of the wood density. Thermal analysis is able to give information about degradation temperatures for the principal components of different wood samples. The shape of DTG curves depends on the wood species that cause the enlargement of the peaks or the maxima of the decomposition step varies at larger or smaller temperatures ranges. The temperatures and weight loss percentage are particular for each kind of wood. This study showed that analytical methods used have the potential to be important sources of information for a quick evaluation of the chemical composition of wood samples.

  5. Quantitative Detection of Pharmaceuticals Using a Combination of Paper Microfluidics and Wavelength Modulated Raman Spectroscopy

    PubMed Central

    Craig, Derek; Mazilu, Michael; Dholakia, Kishan

    2015-01-01

    Raman spectroscopy has proven to be an indispensable technique for the identification of various types of analytes due to the fingerprint vibration spectrum obtained. Paper microfluidics has also emerged as a low cost, easy to fabricate and portable approach for point of care testing. However, due to inherent background fluorescence, combining Raman spectroscopy with paper microfluidics is to date an unmet challenge in the absence of using surface enhanced mechanisms. We describe the first use of wavelength modulated Raman spectroscopy (WMRS) for analysis on a paper microfluidics platform. This study demonstrates the ability to suppress the background fluorescence of the paper using WMRS and the subsequent implementation of this technique for pharmaceutical analysis. The results of this study demonstrate that it is possible to discriminate between both paracetamol and ibuprofen, whilst, also being able to detect the presence of each analyte quantitatively at nanomolar concentrations. PMID:25938464

  6. Quantitative detection of pharmaceuticals using a combination of paper microfluidics and wavelength modulated Raman spectroscopy.

    PubMed

    Craig, Derek; Mazilu, Michael; Dholakia, Kishan

    2015-01-01

    Raman spectroscopy has proven to be an indispensable technique for the identification of various types of analytes due to the fingerprint vibration spectrum obtained. Paper microfluidics has also emerged as a low cost, easy to fabricate and portable approach for point of care testing. However, due to inherent background fluorescence, combining Raman spectroscopy with paper microfluidics is to date an unmet challenge in the absence of using surface enhanced mechanisms. We describe the first use of wavelength modulated Raman spectroscopy (WMRS) for analysis on a paper microfluidics platform. This study demonstrates the ability to suppress the background fluorescence of the paper using WMRS and the subsequent implementation of this technique for pharmaceutical analysis. The results of this study demonstrate that it is possible to discriminate between both paracetamol and ibuprofen, whilst, also being able to detect the presence of each analyte quantitatively at nanomolar concentrations.

  7. Millimeter-Wave Spectroscopy of S_2Cl_2: a Candidate Molecule for the Detection of Ortho-Para Transition

    NASA Astrophysics Data System (ADS)

    Dehghani, Zeinab Tafti; Mizoguchi, Asao; Kanamori, Hideto

    2014-06-01

    S_2Cl_2 is a candidate molecule for the detection of ortho-para transition, because the Cl atoms on the skewed position from the rotational principle axes give large off-diagonal terms in the quadrupole interaction, which can mix ortho and para states. In order to estimate the ortho-para mixing in a hyperfine-resolved rotational state, pure rotational transitions were measured by millimeter-wave spectroscopy using two different experimental set-ups. The transitions from the term value around 20 K was measured with a supersonic jet and those around 200 K were measured with a dry ice cooled gas cell. Hundreds of peaks were assigned for the naturally abundant S235Cl2 and S235Cl37Cl isotopic species, and the rotational molecular constants including the fourth-order and sixth-order centrifugal distortion constants were determined. The hyperfine structures were partly resolved in some Q-branch transitions and those spectral patterns were well reproduced with the hyperfine constants determined by the previous FTMW spectroscopy in the cm-wave region. With the new molecular constants determined in this study and the previous hyperfine constants, it becomes possible to predict a more reliable ortho-para mixing ratio and to narrow down the possible candidate transitions in the mm-wave region for the detection of ortho-para transition. Mizoguchi et al., J. Mol. Spectrosc. 250,86-97(2008)

  8. Detection of hydrogen peroxide based on long-path absorption spectroscopy using a CW EC-QCL

    NASA Astrophysics Data System (ADS)

    Sanchez, N. P.; Yu, Y.; Dong, L.; Griffin, R.; Tittel, F. K.

    2016-02-01

    A sensor system based on a CW EC-QCL (mode-hop-free range 1225-1285 cm-1) coupled with long-path absorption spectroscopy was developed for the monitoring of gas-phase hydrogen peroxide (H2O2) using an interference-free absorption line located at 1234.055 cm-1. Wavelength modulation spectroscopy (WMS) with second harmonic detection was implemented for data processing. Optimum levels of pressure and modulation amplitude of the sensor system led to a minimum detection limit (MDL) of 25 ppb using an integration time of 280 sec. The selected absorption line for H2O2, which exhibits no interference from H2O, makes this sensor system suitable for sensitive and selective monitoring of H2O2 levels in decontamination and sterilization processes based on Vapor Phase Hydrogen Peroxide (VPHP) units, in which a mixture of H2O and H2O2 is generated. Furthermore, continuous realtime monitoring of H2O2 concentrations in industrial facilities employing this species can be achieved with this sensing system in order to evaluate average permissible exposure levels (PELs) and potential exceedances of guidelines established by the US Occupational Safety and Health Administration for H2O2.

  9. [The principle and technical analysis of methane detection using infrared absorption spectroscopy].

    PubMed

    Zhang, Yu; Wang, Yi-Ding; Li, Li; Zheng, Chuan-Tao; An, Yu-Peng; Song, Zhen-Yu

    2008-11-01

    There has been considerable interest recently in methane sensor based on infrared absorption spectroscopy for industrial detection and environment monitoring. The present paper presents the intensites of methane mid-infrared fundamental absorption bands, near-infrared combination band of v2 + 2v3 and overtone band of 2v3, and it was found that the absorption strengths of fundamental bands are two orders of magnitude higher than those of overtone bands and three orders of magnitude higher than those of the combinations. Theoretically, mid-infrared detection system is much better. However, because the near-infrared source and detector are more maturely developed and cheaper, near-infrared technology is widely used. Furthermore, the near-infrared radiation can be transmitted through ordinary low-loss silica fiber, suitable for long-distance methane sensing system, meeting the needs of industrial mining and other aspects. But with the development of mid-infrared detector and high-power high-sensitivity devices, low priced micro sensor modules will be more and more developed. The development of optical methane sensors is reported in this paper. Several detection technologies were investigated such as differential absorption, harmonic detection, cavity spectroscopy enhancement and photoacoustic spectroscopy. The theoretical formula, sensitivity and system structure of these technologies are presented. PMID:19271479

  10. Invasive species information networks: Collaboration at multiple scales for prevention, early detection, and rapid response to invasive alien species

    USGS Publications Warehouse

    Simpson, A.; Jarnevich, C.; Madsen, J.; Westbrooks, R.; Fournier, C.; Mehrhoff, L.; Browne, M.; Graham, J.; Sellers, E.

    2009-01-01

    Accurate analysis of present distributions and effective modeling of future distributions of invasive alien species (IAS) are both highly dependent on the availability and accessibility of occurrence data and natural history information about the species. Invasive alien species monitoring and detection networks (such as the Invasive Plant Atlas of New England and the Invasive Plant Atlas of the MidSouth) generate occurrence data at local and regional levels within the United States, which are shared through the US National Institute of Invasive Species Science. The Inter-American Biodiversity Information Network's Invasives Information Network (I3N), facilitates cooperation on sharing invasive species occurrence data throughout the Western Hemisphere. The I3N and other national and regional networks expose their data globally via the Global Invasive Species Information Network (GISIN). International and interdisciplinary cooperation on data sharing strengthens cooperation on strategies and responses to invasions. However, limitations to effective collaboration among invasive species networks leading to successful early detection and rapid response to invasive species include: lack of interoperability; data accessibility; funding; and technical expertise. This paper proposes various solutions to these obstacles at different geographic levels and briefly describes success stories from the invasive species information networks mentioned above. Using biological informatics to facilitate global information sharing is especially critical in invasive species science, as research has shown that one of the best indicators of the invasiveness of a species is whether it has been invasive elsewhere. Data must also be shared across disciplines because natural history information (e.g. diet, predators, habitat requirements, etc.) about a species in its native range is vital for effective prevention, detection, and rapid response to an invasion. Finally, it has been our

  11. Combining 1H NMR spectroscopy and multivariate regression techniques to quantitatively determine falsification of porcine heparin with bovine species.

    PubMed

    Monakhova, Yulia B; Diehl, Bernd W K

    2015-11-10

    (1)H NMR spectroscopy was used to distinguish pure porcine heparin and porcine heparin blended with bovine species and to quantify the degree of such adulteration. For multivariate modelling several statistical methods such as partial least squares regression (PLS), ridge regression (RR), stepwise regression with variable selection (SR), stepwise principal component regression (SPCR) were utilized for modeling NMR data of in-house prepared blends (n=80). The models were exhaustively validated using independent test and prediction sets. PLS and RR showed the best performance for estimating heparin falsification regarding its animal origin with the limit of detection (LOD) and root mean square error of validation (RMSEV) below 2% w/w and 1% w/w, respectively. Reproducibility expressed in coefficients of variation was estimated to be below 10% starting from approximately 5% w/w of bovine adulteration. Acceptable calibration model was obtained by SPCR, by its application range was limited, whereas SR is least recommended for heparin matrix. The developed method was found to be applicable also to heparinoid matrix (not purified heparin). In this case root mean square of prediction (RMSEP) and LOD were approximately 7% w/w and 8% w/w, respectively. The simple and cheap NMR method is recommended for screening of heparin animal origin in parallel with official NMR test of heparin authenticity and purity.

  12. Multigene phylogenetic analysis detects cryptic species of Tryblidiopsis in China.

    PubMed

    Wang, Shuang; Cannon, Paul; Li, Zhi-Jie; Hou, Cheng-Lin

    2014-01-01

    Tryblidiopsis pinastri (Rhytismatales) has been recognized as being distributed throughout northern temperate regions. In the present study, comparative studies showed that species of Tryblidiopsis from China were distinct from the European type species. They are shown to belong to two new Tryblidiopsis species, T sichuanensis and T. sinensis, with a third known to be present in China but not described because the reference material is immature. Combined LSU rDNA, ITS rDNA and mtSSU rDNA sequences analyses revealed that Chinese species and European species formed a monophyletic clade. Collections of Tryblidiopsis from North America need to be re-examined and sequenced; they are probably not conspecific with T. pinastri. Tryblidiopsis species appear to be highly host specific and are probably restricted to the host genus Picea.

  13. Detection of Different DNA Animal Species in Commercial Candy Products.

    PubMed

    Muñoz-Colmenero, Marta; Martínez, Jose Luis; Roca, Agustín; Garcia-Vazquez, Eva

    2016-03-01

    Candy products are consumed all across the world, but there is not much information about their composition. In this study we have used a DNA-based approach for determining the animal species occurring in 40 commercial candies of different types. We extracted DNA and performed PCR amplification, cloning and sequencing for obtaining species-informative DNA sequences. Eight species were identified including fish (hake and anchovy) in 22% of the products analyzed. Bovine and porcine were the most abundant appearing in 27 samples each one. Most products contained a mixture of species. Marshmallows (7), jelly-types, and gummies (20) contained a significantly higher number of species than hard candies (9). We demonstrated the presence of DNA animal species in candy product which allow consumers to make choices and prevent allergic reaction.

  14. Label-Free Toxin Detection by Means of Time-Resolved Electrochemical Impedance Spectroscopy

    PubMed Central

    Chai, Changhoon; Takhistov, Paul

    2010-01-01

    The real-time detection of trace concentrations of biological toxins requires significant improvement of the detection methods from those reported in the literature. To develop a highly sensitive and selective detection device it is necessary to determine the optimal measuring conditions for the electrochemical sensor in three domains: time, frequency and polarization potential. In this work we utilized a time-resolved electrochemical impedance spectroscopy for the detection of trace concentrations of Staphylococcus enterotoxin B (SEB). An anti-SEB antibody has been attached to the nano-porous aluminum surface using 3-aminopropyltriethoxysilane/glutaraldehyde coupling system. This immobilization method allows fabrication of a highly reproducible and stable sensing device. Using developed immobilization procedure and optimized detection regime, it is possible to determine the presence of SEB at the levels as low as 10 pg/mL in 15 minutes. PMID:22315560

  15. Detection and analysis of cyclotrimethylenetrinitramine (RDX) in environmental samples by surface-enhanced Raman spectroscopy

    SciTech Connect

    Hatab, Nahla A.; Gu, Baohua; Eres, Gyula; Hatzinger, Paul B.

    2010-10-01

    Techniques for rapid and sensitive detection of energetics such as cyclotrimethylenetrinitramine (RDX) are needed both for environmental and security screening applications. Here we report the use of surface-enhanced Raman scattering (SERS) spectroscopy to detect traces of RDX with good sensitivity and reproducibility. Using gold (Au) nanoparticles ( 90 100 nm in diameter) as SERS substrates, RDX was detectable at concentrations as low as 0.15 mg/l in a contaminated groundwater sample. This detection limit is about two orders of magnitude lower than those reported previously using SERS techniques. A surface enhancement factor of 6 104 was obtained. This research further demonstrates the potential for using SERS as a rapid, in situ field screening tool for energetics detection when coupled with a portable Raman spectrometer.

  16. Detection and Analysis of Cyclotrimethylenetrinitramine (RDX) in Environmental Samples by Surface Enhanced Raman Spectroscopy

    SciTech Connect

    Abu Hatab, Nahla A; Eres, Gyula; Hatzinger, Paul B.; Gu, Baohua

    2010-01-01

    Techniques for rapid and sensitive detection of energetics such as cyclotrimethylenetrinitramine (RDX) are needed both for environmental and security screening applications. Here we report the use of surface enhanced Raman spectroscopy (SERS) to detect traces of RDX with good sensitivity and reproducibility. Using gold (Au) nanoparticles (~90-100 nm in diameter) as SERS substrates, RDX was detectable at concentrations as low as 0.15 mg/L in a contaminated groundwater sample. This detection limit is about two orders of magnitude lower than those reported previously using SERS techniques. A surface enhancement factor of ~6x104 was obtained. This research further demonstrates the potential for using SERS as a rapid, in-situ field screening tool for energetics detection when coupled with a portable Raman spectrometer.

  17. [Progress in Application of Two-Dimensional Correlation Spectroscopy for Detection of Food Quality].

    PubMed

    Yang, Ren-jie; Yang, Yan-rong; Liu, Hai-xue; Dong, Gui-mei; Du, Yan-hong; Shan, Hui-yong; Zhang, Wei-yu

    2015-08-01

    In recent years, the food safety and quality has always been a serious issue. Therefore, it is urgent to develop a rapid and widely available method to determine the quality of food. Due to high spectral resolution, good spectral selectivity and good ability of spectrogram analysis, the technology of two-dimensional (2D) correlation spectroscopy is an effective method for solving three major problems encountered by the conventional one-dimensional (1D) spectrum: low selectivity of the spectra, difficulty in extracting the information of the spectral feature and difficulty in spectrogram analysis. Therefore, 2D correlation spectroscopy, which is suited to distinguish similar samples hardly distinguished by the conventional 1D spectroscopy, has been successfully applied in many complex biological systems. The developmental process, the experimental way to obtain spectrum, the fundamental mathematical principle and the properties of 2D correlation spectroscopy were introduced in this paper. At the same time, it is pointed out that the origin of weak characteristic bands of substance can be verified in terms of the positive or negative corss peaks in synchronous 2D correlation spectrum combined with the existence or inexistence of corss peaks in asynchronous 2D correlation spectrum. The application of 2D near-infrared, mid-infrared, fluorescence, and raman correlation spectroscopy in the detection of food quality and adulteration, concentrated specifically on diary product, wine, oil, meat, honey, and rice were reviewed. Finally, the limitations and future development prospects were pointed out.

  18. [Progress in Application of Two-Dimensional Correlation Spectroscopy for Detection of Food Quality].

    PubMed

    Yang, Ren-jie; Yang, Yan-rong; Liu, Hai-xue; Dong, Gui-mei; Du, Yan-hong; Shan, Hui-yong; Zhang, Wei-yu

    2015-08-01

    In recent years, the food safety and quality has always been a serious issue. Therefore, it is urgent to develop a rapid and widely available method to determine the quality of food. Due to high spectral resolution, good spectral selectivity and good ability of spectrogram analysis, the technology of two-dimensional (2D) correlation spectroscopy is an effective method for solving three major problems encountered by the conventional one-dimensional (1D) spectrum: low selectivity of the spectra, difficulty in extracting the information of the spectral feature and difficulty in spectrogram analysis. Therefore, 2D correlation spectroscopy, which is suited to distinguish similar samples hardly distinguished by the conventional 1D spectroscopy, has been successfully applied in many complex biological systems. The developmental process, the experimental way to obtain spectrum, the fundamental mathematical principle and the properties of 2D correlation spectroscopy were introduced in this paper. At the same time, it is pointed out that the origin of weak characteristic bands of substance can be verified in terms of the positive or negative corss peaks in synchronous 2D correlation spectrum combined with the existence or inexistence of corss peaks in asynchronous 2D correlation spectrum. The application of 2D near-infrared, mid-infrared, fluorescence, and raman correlation spectroscopy in the detection of food quality and adulteration, concentrated specifically on diary product, wine, oil, meat, honey, and rice were reviewed. Finally, the limitations and future development prospects were pointed out. PMID:26672279

  19. Characterization of Phosphorus Species in Biosolids and Manures Using XANES Spectroscopy

    SciTech Connect

    Shober,A.; Hesterberg, D.; Sims, J.; Gardner, S.

    2006-01-01

    Received for publication March 10, 2006. Identification of the chemical P species in biosolids or manures will improve our understanding of the long-term potential for P loss when these materials are land applied. The objectives of this study were to determine the P species in dairy manures, poultry litters, and biosolids using X-ray absorption near-edge structure (XANES) spectroscopy and to determine if chemical fractionation techniques can provide useful information when interpreted based on the results of more definitive P speciation studies. Our XANES fitting results indicated that the predominant forms of P in organic P sources included hydroxylapatite, PO{sub 4} sorbed to Al hydroxides, and phytic acid in lime-stabilized biosolids and manures; hydroxylapatite, PO{sub 4} sorbed on ferrihydrite, and phytic acid in lime- and Fe-treated biosolids; and PO{sub 4} sorbed on ferrihydrite, hydroxylapatite, {beta}-tricalcium phosphate ({beta}-TCP), and often PO{sub 4} sorbed to Al hydroxides in Fe-treated and digested biosolids. Strong relationships existed between the proportions of XANES PO{sub 4} sorbed to Al hydroxides and NH{sub 4}Cl- + NH{sub 4}F-extractable P, XANES PO{sub 4} sorbed to ferrihydrite + phytic acid and NaOH-extractable P, and XANES hydroxylapatite + {beta}-TCP and dithionite-citrate-bicarbonate (DCB)- + H{sub 2}SO{sub 4}-extractable P ({gamma}{sup 2} = 0.67 [P = 0.01], 0.78 [P = 0.01], and 0.89 [P = 0.001], respectively). Our XANES fitting results can be used to make predictions about long-term solubility of P when biosolids and manures are land applied. Fractionation techniques indicate that there are differences in the forms of P in these materials but should be interpreted based on P speciation data obtained using more advanced analytical tools.

  20. Detection of Osteogenic Differentiation by Differential Mineralized Matrix Production in Mesenchymal Stromal Cells by Raman Spectroscopy

    PubMed Central

    Chen, He-Guei; Chiang, Hui-Hua Kenny; Lee, Oscar Kuang-Sheng

    2013-01-01

    Mesenchymal stromal cells (MSCs) hold great potential in skeletal tissue engineering and regenerative medicine. However, conventional methods that are used in molecular biology to evaluate osteogenic differentiation of MSCs require a relatively large amount of cells. Cell lysis and cell fixation are also required and all these steps are time-consuming. Therefore, it is imperative to develop a facile technique which can provide real-time information with high sensitivity and selectivity to detect the osteogenic maturation of MSCs. In this study, we use Raman spectroscopy as a biosensor to monitor the production of mineralized matrices during osteogenic induction of MSCs. In summary, Raman spectroscopy is an excellent biosensor to detect the extent of maturation level during MSCs-osteoblast differentiation with a non-disruptive, real-time and label free manner. We expect that this study will promote further investigation of stem cell research and clinical applications. PMID:23734254

  1. Detection of pesticide model compounds in ethanolic and aqueous microdroplets by nonlinear Raman spectroscopy.

    PubMed

    Schlücker, S; Roman, V; Kiefer, W; Popp, J

    2001-07-01

    Pesticide model compounds are detected in microdroplets by means of in situ nonlinear Raman spectroscopy. The chloro- and nitro-substituted aromatics are dissolved in ethanol as well as in water. Their vibrational spectroscopic fingerprint, that is, Raman bands characteristic of the functional groups attached to the aromatic system, is determined in bulk medium by linear Raman spectroscopy. As a result of the concept of group vibrations, the chosen compounds can be regarded as representatives for a whole class of pesticides containing these residues. External seeding of stimulated Raman scattering (SRS) is applied for the detection of these group vibrations of the pesticide model compounds. This technique can be utilized for in situ diagnostics and a noninvasive vibrational spectroscopic analysis of the chemical composition of microdroplets with natural or anthropogenic origin.

  2. Heterodyne phase-sensitive detection for calibration-free molecular dispersion spectroscopy.

    PubMed

    Martín-Mateos, Pedro; Acedo, Pablo

    2014-06-16

    In this paper, a technique for molecular dispersion spectroscopy based on heterodyne phase-sensitive detection is presented. The method offers immunity to fluctuations of the received optical power and an output linearly dependent of the gas concentration. Besides this, an analytical model for the propagation of light in gaseous samples has been developed enabling calibration-free operation. The proposed architecture has been tested and experimentally validated using methane as target gas. PMID:24977607

  3. Detector comparison for sulfur and chlorine detection with laser induced breakdown spectroscopy in the near-infrared-region

    NASA Astrophysics Data System (ADS)

    Weritz, F.; Schaurich, D.; Wilsch, G.

    2007-12-01

    Laser-induced breakdown spectroscopy has been employed for the investigation of the sulfur and chlorine content of building materials. Both, chloride and sulfate ions are major damaging species affecting the stability and lifetime of a structure. Chlorine and sulfur are mostly detected in the VUV and the NIR. In case of building materials the main elements like calcium or iron have many strong spectral lines over the whole spectral range, so that trace elements can only be detected in spectral windows unaffected from these lines. With regard to a preferably simply, robust against dust and vibrations and portable setup only the NIR spectral features are used for civil engineering applications. Most detectors, mainly CCD cameras have rapidly decreasing quantum efficiency in the NIR. Also the quantum efficiency of the photocathode of CCD-Detectors with image intensifier is decreasing in the NIR. Different CCD-detectors were tested with respect to high quantum efficiency and high dynamic range, which is necessary for simultaneous detection of weak spectral lines from trace elements and intense spectral lines from main elements. The measurements are made on reference samples consisting of cement, hydrated cement, cement mortar and concrete with well-defined amounts of the trace elements. Experimental conditions are chosen for an optimum intensity of the trace element spectral lines. The detector systems are compared by limit of detections and the signal to noise ratio.

  4. Detection of simulants and degradation products of chemical warfare agents by vibrational spectroscopy

    NASA Astrophysics Data System (ADS)

    Ruiz-Pesante, Orlando; Pacheco-Londoño, Leonardo C.; Primera-Pedrozo, Oliva M.; Ortiz, William; Soto-Feliciano, Yadira M.; Nieves, Deborah E.; Ramirez, Michael L.; Hernández-Rivera, Samuel P.

    2007-04-01

    This work was focused in the measurement of spectroscopic signatures of Chemical Warfare Agent Simulants (CWAS) and degradation products of chemical agents using vibrational spectroscopy for the generation of spectroscopic libraries. The chemicals studied were: DMMP, DIMP, 2-CEES, 2-BAET, 1,4-thioxane, thiodiglycol sulfoxide, dihexylamine, cyclohexylamine, among others. Raman microscopy experiments were performed at different excitation wavelengths that spanned from NIR at 1064 and 785 nm to the VIS at 532, 514.5 and 488 nm and even the deep ultraviolet region at 244 nm. For the compounds studied the optimum excitation lines were 488 nm and 532 nm with a laser power of 25 mW. Among the most prominent bands were at these incident wavelengths were located ca. 652 and 1444 cm-1. Fourier Transform Infrared Spectroscopy in liquid and gas phase and Fiber Optics Coupled-Grazing Angle Probe-FTIR (FOCGAP- FTIR) were used to characterize the spectroscopic signature of target threat agents. The surface experiments were performed at detection levels of about 1 μg/cm2 suggest that limits of detection (LOD) achievable could be as low as nanograms/cm2. Remote sensing experiments were performed using a telescope coupled with a Raman spectrophotometer as a function of power and acquisition time. Characterization of compounds by vibrational spectroscopy and the early stages of the transition from the lab based experiments to remote detection experiments will be presented.

  5. [Detection of metal residue in aqueous solutions by electrolyte cathode atmospheric glow discharge emission spectroscopy].

    PubMed

    Zheng, Pei-chao; Wang, Hong-mei; Li, Jian-quan; Han, Hai-yan; Xi, Xiao-qin; Chu, Yan-nan

    2010-07-01

    Toxic metal elements in waters and wastewaters contaminate the environment and greatly threaten the health of human beings, therefore developing a rapid monitor for metal residues in aqueous solutions is urgently required. In the present work, a new homemade apparatus of electrolyte cathode atmospheric glow discharge emission spectroscopy was developed and described. It can detect and discriminate many kinds of trace mental elements by atomic emission spectrum from atmospheric pressure liquid cathode glow discharge. In order to estimate the analytical performance of the present atmospheric pressure electrolyte cathode glow discharge emission spectroscopy system, the detection limit values for Na, Li, Cu, Pb and Mn were obtained based on 3sigma of the background signal, and the current limits of detection were 0.008, 0.005, 1.1, 2.06 and 1.95 mg L(-1), respectively. It demonstrates that the atmospheric pressure electrolyte cathode glow discharge emission spectroscopy has a promising application in real time measurements of metal residues in aqueous solutions. PMID:20828006

  6. Wavelength modulation spectroscopy--digital detection of gas absorption harmonics based on Fourier analysis.

    PubMed

    Mei, Liang; Svanberg, Sune

    2015-03-20

    This work presents a detailed study of the theoretical aspects of the Fourier analysis method, which has been utilized for gas absorption harmonic detection in wavelength modulation spectroscopy (WMS). The lock-in detection of the harmonic signal is accomplished by studying the phase term of the inverse Fourier transform of the Fourier spectrum that corresponds to the harmonic signal. The mathematics and the corresponding simulation results are given for each procedure when applying the Fourier analysis method. The present work provides a detailed view of the WMS technique when applying the Fourier analysis method.

  7. Electrochemical impedance spectroscopy in chromatography paper and its application to latex bead detection

    NASA Astrophysics Data System (ADS)

    Iwahara, Shohei; Miki, Masashi; Hori, Fumitaka; Uno, Shigeyasu

    2014-01-01

    The principle of the quantitative immunochromatographic strip test (IST) is proposed. Electrochemical impedance spectroscopy is shown to be capable of detecting latex beads in chromatography paper, where latex beads can serve as a label in IST. Measurements to examine the impedance changes in the absence and presence of latex beads are conducted. In the presence of latex beads, an increase of 12.5% in the bulk solution resistance is observed. This indicates that the latex-bead-labeled antigen-antibody complex can be detected electrochemically by actual IST.

  8. Noninvasive detection of intracerebral hemorrhage using near-infrared spectroscopy (NIRS)

    NASA Astrophysics Data System (ADS)

    Hennes, Hans-Juergen; Lott, Carsten; Windirsch, Michael; Hanley, Daniel F.; Boor, Stephan; Brambrink, Ansgar; Dick, Wolfgang

    1998-01-01

    Intracerebral Hemorrhage (IH) is an important cause of secondary brain injury in neurosurgical patients. Early identification and treatment improve neurologic outcome. We have tested Near Infrared Spectroscopy (NIRS) as an alternative noninvasive diagnostic tool compared to CT-Scans to detect IH. We prospectively studied 212 patients with neurologic symptoms associated with intracranial pathology before performing a CT-scan. NIRS signals indicated pathologies in 181 cases (sensitivity 0.96; specificity 0.29). In a subgroup of subdural hematomas NIRS detected 45 of 46 hematomas (sensitivity 0.96; specificity 0.79). Identification of intracerebral hemorrhage using NIRS has the potential to allow early treatment, thus possibly avoiding further injury.

  9. Noninvasive detection of intracerebral hemorrhage using near-infrared spectroscopy (NIRS)

    NASA Astrophysics Data System (ADS)

    Hennes, Hans J.; Lott, C.; Windirsch, Michael; Hanley, Daniel F.; Boor, Stephan; Brambrink, Ansgar; Dick, Wolfgang

    1997-12-01

    Intracerebral Hemorrhage (IH) is an important cause of secondary brain injury in neurosurgical patients. Early identification and treatment improve neurologic outcome. We have tested Near Infrared Spectroscopy (NIRS) as an alternative noninvasive diagnostic tool compared to CT-Scans to detect IH. We prospectively studied 212 patients with neurologic symptoms associated with intracranial pathology before performing a CT-scan. NIRS signals indicated pathologies in 181 cases (sensitivity 0.96; specificity 0.29). In a subgroup of subdural hematomas NIRS detected 45 of 46 hematomas (sensitivity 0.96; specificity 0.79). Identification of intracerebral hemorrhage using NIRS has the potential to allow early treatment, thus possibly avoiding further injury.

  10. Ultrafast Spectroscopy with Photocurrent Detection: Watching Excitonic Optoelectronic Systems at Work

    PubMed Central

    2015-01-01

    While ultrafast spectroscopy with photocurrent detection was almost unknown before 2012, in the last 3 years, a number of research groups from different fields have independently developed ultrafast electric probe approaches and reported promising pilot studies. Here, we discuss these recent advances and provide our perspective on how photocurrent detection successfully overcomes many limitations of all-optical methods, which makes it a technique of choice when device photophysics is concerned. We also highlight compelling existing problems and research questions and suggest ways for further development, outlining the potential breakthroughs to be expected in the near future using photocurrent ultrafast optical probes. PMID:26711855

  11. Ultrasensitive detection of waste products in water using fluorescence emission cavity-enhanced spectroscopy.

    PubMed

    Bixler, Joel N; Cone, Michael T; Hokr, Brett H; Mason, John D; Figueroa, Eleonora; Fry, Edward S; Yakovlev, Vladislav V; Scully, Marlan O

    2014-05-20

    Clean water is paramount to human health. In this article, we present a technique for detection of trace amounts of human or animal waste products in water using fluorescence emission cavity-enhanced spectroscopy. The detection of femtomolar concentrations of urobilin, a metabolic byproduct of heme metabolism that is excreted in both human and animal waste in water, was achieved through the use of an integrating cavity. This technique could allow for real-time assessment of water quality without the need for expensive laboratory equipment.

  12. Automated detection of fingerprint traces of high explosives using ultraviolet Raman spectroscopy.

    PubMed

    Jander, Peter; Noll, Reinhard

    2009-05-01

    Ultraviolet (UV) resonance Raman spectroscopy is a promising technique for the detection of trace explosives. For real-world applications, it is necessary to develop data evaluation algorithms that automatically recognize the spectral features of explosives in a sample spectrum. We have developed a robust algorithm that can tolerate high levels of fluorescence background. We successfully demonstrated the detection of traces of ANFO and TNT explosives at surface coverage levels of 55 microg/cm(2) in a blind test experiment. The sensitivity and selectivity is discussed in terms of receiver operating characteristics (ROC) curves.

  13. Logarithmic conversion of absorption detection in wavelength modulation spectroscopy with a current-modulated diode laser.

    PubMed

    Wang, Yuntao; Cai, Haiwen; Geng, Jianxin; Fang, Zujie

    2009-07-20

    Logarithmic-conversion data processing used in wavelength modulation spectroscopy (WMS) with a current-modulated diode laser as its source is analyzed and compared with second-to-first ratio detection. Analytic Fourier coefficients of logarithmic-converted residual amplitude modulation (RAM) of a light source are given. An experimental setup for methane absorption detection at 1650 nm is described. It is shown theoretically and experimentally that logarithmic-converted WMS cannot only eliminate the fluctuation of received light power, but also improve the signal-to-noise ratio significantly. PMID:19623220

  14. Ultrasensitive detection of waste products in water using fluorescence emission cavity-enhanced spectroscopy

    PubMed Central

    Bixler, Joel N.; Cone, Michael T.; Hokr, Brett H.; Mason, John D.; Figueroa, Eleonora; Fry, Edward S.; Yakovlev, Vladislav V.; Scully, Marlan O.

    2014-01-01

    Clean water is paramount to human health. In this article, we present a technique for detection of trace amounts of human or animal waste products in water using fluorescence emission cavity-enhanced spectroscopy. The detection of femtomolar concentrations of urobilin, a metabolic byproduct of heme metabolism that is excreted in both human and animal waste in water, was achieved through the use of an integrating cavity. This technique could allow for real-time assessment of water quality without the need for expensive laboratory equipment. PMID:24799690

  15. Doppler spectroscopy as a path to the detection of Earth-like planets.

    PubMed

    Mayor, Michel; Lovis, Christophe; Santos, Nuno C

    2014-09-18

    Doppler spectroscopy was the first technique used to reveal the existence of extrasolar planetary systems hosted by solar-type stars. Radial-velocity surveys led to the detection of a rich population of super-Earths and Neptune-type planets. The numerous detected systems revealed a remarkable diversity. Combining Doppler measurements with photometric observations of planets transiting their host stars further provides access to the planet bulk density, a first step towards comparative exoplanetology. The development of new high-precision spectrographs and space-based facilities will ultimately lead us to characterize rocky planets in the habitable zone of our close stellar neighbours. PMID:25230654

  16. Ultrasensitive detection of waste products in water using fluorescence emission cavity-enhanced spectroscopy.

    PubMed

    Bixler, Joel N; Cone, Michael T; Hokr, Brett H; Mason, John D; Figueroa, Eleonora; Fry, Edward S; Yakovlev, Vladislav V; Scully, Marlan O

    2014-05-20

    Clean water is paramount to human health. In this article, we present a technique for detection of trace amounts of human or animal waste products in water using fluorescence emission cavity-enhanced spectroscopy. The detection of femtomolar concentrations of urobilin, a metabolic byproduct of heme metabolism that is excreted in both human and animal waste in water, was achieved through the use of an integrating cavity. This technique could allow for real-time assessment of water quality without the need for expensive laboratory equipment. PMID:24799690

  17. In Vivo and Ex Vivo Transcutaneous Glucose Detection Using Surface-Enhanced Raman Spectroscopy

    NASA Astrophysics Data System (ADS)

    Ma, Ke

    Diabetes mellitus is widely acknowledged as a large and growing health concern. The lack of practical methods for continuously monitoring glucose levels causes significant difficulties in successful diabetes management. Extensive validation work has been carried out using surface-enhanced Raman spectroscopy (SERS) for in vivo glucose sensing. This dissertation details progress made towards a Raman-based glucose sensor for in vivo, transcutaneous glucose detection. The first presented study combines spatially offset Raman spectroscopy (SORS) with SERS (SESORS) to explore the possibility of in vivo, transcutaneous glucose sensing. A SERS-based glucose sensor was implanted subcutaneously in Sprague-Dawley rats. SERS spectra were acquired transcutaneously and analyzed using partial least-squares (PLS). Highly accurate and consistent results were obtained, especially in the hypoglycemic range. Additionally, the sensor demonstrated functionality at least17 days after implantation. A subsequent study further extends the application of SESORS to the possibility of in vivo detection of glucose in brain through skull. Specifically, SERS nanoantennas were buried in an ovine tissue behind a bone with 8 mm thickness and detected by using SESORS. In addition, quantitative detection through bones by using SESORS was also demonstrated. A device that could measure glucose continuously as well as noninvasively would be of great use to patients with diabetes. The inherent limitation of the SESORS approach may prevent this technique from becoming a noninvasive method. Therefore, the prospect of using normal Raman spectroscopy for glucose detection was re-examined. Quantitative detection of glucose and lactate in the clinically relevant range was demonstrated by using normal Raman spectroscopy with low power and short acquisition time. Finally, a nonlinear calibration method called least-squares support vector machine regression (LS-SVR) was investigated for analyzing spectroscopic

  18. Doppler spectroscopy as a path to the detection of Earth-like planets.

    PubMed

    Mayor, Michel; Lovis, Christophe; Santos, Nuno C

    2014-09-18

    Doppler spectroscopy was the first technique used to reveal the existence of extrasolar planetary systems hosted by solar-type stars. Radial-velocity surveys led to the detection of a rich population of super-Earths and Neptune-type planets. The numerous detected systems revealed a remarkable diversity. Combining Doppler measurements with photometric observations of planets transiting their host stars further provides access to the planet bulk density, a first step towards comparative exoplanetology. The development of new high-precision spectrographs and space-based facilities will ultimately lead us to characterize rocky planets in the habitable zone of our close stellar neighbours.

  19. Regional patterns in proportion of bird species detected in the North American Breeding Bird Survey

    USGS Publications Warehouse

    Sauer, J.R.; Nichols, J.D.; Hines, J.E.; Boulinier, T.; Flather, C.H.; Kendall, W.L.

    2001-01-01

    Counts from the North American Breeding Bird Survey (BBS) underestimate species richness. We use capture-recapture methods to estimate species richness from BBS count data collected in 1996 and show that detection probabilities demonstrate clear regional patterns. Capture-recapture methods should be used to estimate species richness from count data, and failure to use estimation procedures for species richness could result in biased estimates of spatial change in species richness.

  20. Trace explosives detection using photo-thermal infrared imaging spectroscopy (PT-IRIS): theory, modeling, and detection algorithms

    NASA Astrophysics Data System (ADS)

    Furstenberg, Robert; Kendziora, Christopher A.; Papantonakis, Michael R.; Nguyen, Viet; Byers, Jeff; McGill, R. Andrew

    2015-05-01

    We are developing a technology for stand-off detection based on photo-thermal infrared imaging spectroscopy (PT-IRIS). In this approach, one or more infrared (IR) quantum cascade lasers are tuned to strong absorption bands in the analytes and directed at the sample while an IR focal plane array is used to image the subsequent thermal emissions. In this paper we present recent advances in the theory and numerical modeling of photo-thermal imaging and spectroscopy of particulates on flat substrates. We compare the theoretical models with experimental data taken on our mobile cart-based PT-IRIS system. Synthetic data of the photo-thermal response was calculated for a wide range of analytes, substrates, particle sizes, and analyte mass loadings using their known thermo-physical and optical properties. These synthetic data sets can now be generated quickly and were used to accelerate the development of detection algorithms. The performance of detection algorithms will also be discussed.

  1. Neural networks improve brain cancer detection with Raman spectroscopy in the presence of light artifacts

    NASA Astrophysics Data System (ADS)

    Jermyn, Michael; Desroches, Joannie; Mercier, Jeanne; St-Arnaud, Karl; Guiot, Marie-Christine; Petrecca, Kevin; Leblond, Frederic

    2016-03-01

    It is often difficult to identify cancer tissue during brain cancer (glioma) surgery. Gliomas invade into areas of normal brain, and this cancer invasion is frequently not detected using standard preoperative magnetic resonance imaging (MRI). This results in enduring invasive cancer following surgery and leads to recurrence. A hand-held Raman spectroscopy is able to rapidly detect cancer invasion in patients with grade 2-4 gliomas. However, ambient light sources can produce spectral artifacts which inhibit the ability to distinguish between cancer and normal tissue using the spectral information available. To address this issue, we have demonstrated that artificial neural networks (ANN) can accurately classify invasive cancer versus normal brain tissue, even when including measurements with significant spectral artifacts from external light sources. The non-parametric and adaptive model used by ANN makes it suitable for detecting complex non-linear spectral characteristics associated with different tissues and the confounding presence of light artifacts. The use of ANN for brain cancer detection with Raman spectroscopy, in the presence of light artifacts, improves the robustness and clinical translation potential for intraoperative use. Integration with the neurosurgical workflow is facilitated by accounting for the effect of light artifacts which may occur, due to operating room lights, neuronavigation systems, windows, or other light sources. The ability to rapidly detect invasive brain cancer under these conditions may reduce residual cancer remaining after surgery, and thereby improve patient survival.

  2. Detecting cell-adhesive sites in extracellular matrix using force spectroscopy mapping

    PubMed Central

    Chirasatitsin, Somyot; Engler, Adam J

    2010-01-01

    The cell microenvironment is composed of extracellular matrix (ECM), which contains specific binding sites that allow the cell to adhere to its surroundings. Cells employ focal adhesion proteins, which must be able to resist a variety of forces to bind to ECM. Current techniques for detecting the spatial arrangement of these adhesions, however, have limited resolution and those that detect adhesive forces lack sufficient spatial characterization or resolution. Using a unique application of force spectroscopy, we demonstrate here the ability to determine local changes in the adhesive property of a fibronectin substrate down to the resolution of the fibronectin antibody-functionalized tip diameter, ~20 nm. To verify the detection capabilities of force spectroscopy mapping (FSM), changes in loading rate and temperature were used to alter the bond dynamics and change the adhesion force. Microcontact printing was also used to pattern fluorescein isothiocyanate-conjugated fibronectin in order to mimic the discontinuous adhesion domains of native ECM. Fluorescent detection was used to identify the pattern while FSM was used to map cell adhesion sites in registry with the initial fluorescent image. The results show that FSM can be used to detect the adhesion domains at high resolution and may subsequently be applied to native ECM with randomly distributed cell adhesion sites. PMID:21152375

  3. Precision of Raman Spectroscopy Measurements in Detection of Microcalcifications in Breast Needle Biopsies

    PubMed Central

    Saha, Anushree; Barman, Ishan; Dingari, Narahara Chari; Galindo, Luis H.; Sattar, Abdus; Liu, Wendy; Plecha, Donna; Klein, Nina; Dasari, Ramachandra Rao; Fitzmaurice, Maryann

    2012-01-01

    Microcalcifications are an early mammographic sign of breast cancer and a target for stereotactic breast needle biopsy. We developed Raman spectroscopy decision algorithms to detect breast microcalcifications, based on fit coefficients (FC) derived by modeling tissue Raman spectra as a linear combination of the Raman spectra of 9 chemical and morphologic components of breast tissue. However, little or no information is available on the precision of such measurements and its effect on the ability of Raman spectroscopy to make predictions for breast microcalcification detection. Here we report the precision, that is, the closeness of agreement between replicate Raman spectral measurements - and the model FC derived from them - obtained ex vivo from fresh breast biopsies from patients undergoing stereotactic breast needle biopsy, using a compact clinical Raman system. The coefficients of variation of the model FC averaged 0.03 for normal breast tissue sites, 0.12 for breast lesions without and 0.22 for breast lesions with microcalcifications. Imprecision in the FC resulted in diagnostic discordance among replicates only for line-sitters, that is, tissue sites with FC values near the decision line or plane. The source of this imprecision and their implications for the use of Raman spectroscopy for guidance of stereotactic breast biopsies for microcalcifications are also discussed. In summary, we conclude that the precision of Raman spectroscopy measurements in breast tissue obtained using our compact clinical system is more than adequate to make accurate and repeatable predictions of microcalcifications in breast tissue using decision algorithms based on model FC. This provides strong evidence of the potential of Raman spectroscopy guidance of stereotactic breast needle biopsies for microcalcifications. PMID:22746329

  4. Terahertz spectroscopy and detection of brain tumor in rat fresh-tissue samples

    NASA Astrophysics Data System (ADS)

    Yamaguchi, S.; Fukushi, Y.; Kubota, O.; Itsuji, T.; Yamamoto, S.; Ouchi, T.

    2015-03-01

    Terahertz (THz) spectroscopy and imaging of biomedical samples is expected to be an important application of THz analysis techniques. Identification and localization of tumor tissue, imaging of biological samples, and analysis of DNA by THz spectroscopy have been reported. THz time-domain spectroscopy (TDS) is useful for obtaining the refractive index over a broad frequency range. However, THz-TDS spectra of fresh tissue samples are sensitive to procedures such as sample preparation, and a standardized measurement protocol is required. Therefore, in this work, we establish a protocol for measurements of THz spectra of fresh tissue and demonstrate reliable detection of rat brain tumor tissue. We use a reflection THz-TDS system to measure the refractive index spectra of the samples mounted on a quartz plate. The tissue samples were measured immediately after sectioning to avoid sample denaturalization during storage. Special care was taken in THz data processing to eliminate parasitic reflections and reduce noise. The error level in our refractive index measurements was as low as 0.02 in the frequency range 0.8-1.5 THz. With increasing frequency, the refractive index in the tumor and normal regions monotonically decreased, similarly to water, and it was 0.02 higher in the tumor regions. The spectral data suggest that the tumor regions have higher water content. Hematoxylin-eosin stained images showed that increased cell density was also responsible for the observed spectral features. A set of samples from 10 rats showed consistent results. Our results suggest that reliable tumor detection in fresh tissue without pretreatment is possible with THz spectroscopy measurements. THz spectroscopy has the potential to become a real-time in vivo diagnostic method.

  5. Laser-induced fluorescence-cued, laser-induced breakdown spectroscopy biological-agent detection

    SciTech Connect

    Hybl, John D.; Tysk, Shane M.; Berry, Shaun R.; Jordan, Michael P

    2006-12-01

    Methods for accurately characterizing aerosols are required for detecting biological warfare agents. Currently, fluorescence-based biological agent sensors provide adequate detection sensitivity but suffer from high false-alarm rates. Combining single-particle fluorescence analysis with laser-induced breakdown spectroscopy (LIBS) provides additional discrimination and potentially reduces false-alarm rates. A transportable UV laser-induced fluorescence-cued LIBS test bed has been developed and used to evaluate the utility of LIBS for biological-agent detection. Analysis of these data indicates that LIBS adds discrimination capability to fluorescence-based biological-agent detectors.However, the data also show that LIBS signatures of biological agent simulants are affected by washing. This may limit the specificity of LIBS and narrow the scope of its applicability in biological-agent detection.

  6. Laser-induced fluorescence-cued, laser-induced breakdown spectroscopy biological-agent detection.

    PubMed

    Hybl, John D; Tysk, Shane M; Berry, Shaun R; Jordan, Michael P

    2006-12-01

    Methods for accurately characterizing aerosols are required for detecting biological warfare agents. Currently, fluorescence-based biological agent sensors provide adequate detection sensitivity but suffer from high false-alarm rates. Combining single-particle fluorescence analysis with laser-induced breakdown spectroscopy (LIBS) provides additional discrimination and potentially reduces false-alarm rates. A transportable UV laser-induced fluorescence-cued LIBS test bed has been developed and used to evaluate the utility of LIBS for biological-agent detection. Analysis of these data indicates that LIBS adds discrimination capability to fluorescence-based biological-agent detectors. However, the data also show that LIBS signatures of biological agent simulants are affected by washing. This may limit the specificity of LIBS and narrow the scope of its applicability in biological-agent detection.

  7. NIR spectroscopy with multivariate calibration and lock-in amplification to detect chemicals concealed behind fabrics

    NASA Astrophysics Data System (ADS)

    Saleem, Aamer; Canal, Céline; Hutchins, David A.; Green, Roger J.

    2011-05-01

    The detection of specific chemicals when concealed behind a layer of clothing is reported using near infrared (NIR) spectroscopy. Concealment modifies the spectrum of a particular chemical when recorded at stand-off ranges of three meters in a diffuse reflection experiment. The subsequent analysis to identify a particular chemical has involved employing calibration models such as principal component regression (PCR) and partial least squares regression (PLSR). Additionally, detection has been attempted with good results using neural networks. The latter technique serves to overcome nonlinearities in the calibration/training dataset, affording more robust modelling. Finally, lock-in amplification of spectral data collected in through-transmission arrangement has been shown to allow detection at SNR as low as -60dB. The work has been shown to both allow detection of specific chemicals concealed behind a single intervening layer of fabric material, and to estimate the concentration of certain liquids.

  8. Evaluating species richness: Biased ecological inference results from spatial heterogeneity in detection probabilities.

    PubMed

    McNew, Lance B; Handel, Colleen M

    2015-09-01

    Accurate estimates of species richness are necessary to test predictions of ecological theory and evaluate biodiversity for conservation purposes. However, species richness is difficult to measure in the field because some species will almost always be overlooked due to their cryptic nature or the observer's failure to perceive their cues. Common measures of species richness that assume consistent observability across species are inviting because they may require only single counts of species at survey sites. Single-visit estimation methods ignore spatial and temporal variation in species detection probabilities related to survey or site conditions that may confound estimates of species richness. We used simulated and empirical data to evaluate the bias and precision of raw species counts, the limiting forms of jackknife and Chao estimators, and multispecies occupancy models when estimating species richness to evaluate whether the choice of estimator can affect inferences about the relationships between environmental conditions and community size under variable detection processes. Four simulated scenarios with realistic and variable detection processes were considered. Results of simulations indicated that (1) raw species counts were always biased low, (2) single-visit jackknife and Chao estimators were significantly biased regardless of detection process, (3) multispecies occupancy models were more precise and generally less biased than the jackknife and Chao estimators, and (4) spatial heterogeneity resulting from the effects of a site covariate on species detection probabilities had significant impacts on the inferred relationships between species richness and a spatially explicit environmental condition. For a real data set of bird observations in northwestern Alaska, USA, the four estimation methods produced different estimates of local species richness, which severely affected inferences about the effects of shrubs on local avian richness. Overall, our

  9. Evaluating species richness: Biased ecological inference results from spatial heterogeneity in detection probabilities.

    PubMed

    McNew, Lance B; Handel, Colleen M

    2015-09-01

    Accurate estimates of species richness are necessary to test predictions of ecological theory and evaluate biodiversity for conservation purposes. However, species richness is difficult to measure in the field because some species will almost always be overlooked due to their cryptic nature or the observer's failure to perceive their cues. Common measures of species richness that assume consistent observability across species are inviting because they may require only single counts of species at survey sites. Single-visit estimation methods ignore spatial and temporal variation in species detection probabilities related to survey or site conditions that may confound estimates of species richness. We used simulated and empirical data to evaluate the bias and precision of raw species counts, the limiting forms of jackknife and Chao estimators, and multispecies occupancy models when estimating species richness to evaluate whether the choice of estimator can affect inferences about the relationships between environmental conditions and community size under variable detection processes. Four simulated scenarios with realistic and variable detection processes were considered. Results of simulations indicated that (1) raw species counts were always biased low, (2) single-visit jackknife and Chao estimators were significantly biased regardless of detection process, (3) multispecies occupancy models were more precise and generally less biased than the jackknife and Chao estimators, and (4) spatial heterogeneity resulting from the effects of a site covariate on species detection probabilities had significant impacts on the inferred relationships between species richness and a spatially explicit environmental condition. For a real data set of bird observations in northwestern Alaska, USA, the four estimation methods produced different estimates of local species richness, which severely affected inferences about the effects of shrubs on local avian richness. Overall, our

  10. Simultaneous species concentration and temperature measurements using laser induced breakdown spectroscopy with direct spectrum matching

    NASA Astrophysics Data System (ADS)

    McGann, Brendan J.

    Laser induced breakdown spectroscopy (LIBS) is used to simultaneously measure hydrocarbon fuel concentration and temperature in high temperature, high speed, compressible, and reacting flows, a regime in which LIBS has not been done previously. Emission spectra from the plasma produced from a focused laser pulse is correlated in the combustion region of a model scramjet operating in supersonic wind tunnel. A 532 nm Nd:YAG laser operating at 10 Hz is used to induce break-down. The emissions are captured during a 10 ns gate time approximately 75 ns after the first arrival of photons at the measurement location in order to minimize the measurement uncertainty in the turbulent, compressible, high-speed, and reacting environment. Three methods of emission detection are used and a new backward scattering direction method is developed that is beneficial in reducing the amount of optical access needed to perform LIBS measurements. Measurements are taken in the model supersonic combustion and the ignition process is shown to be highly dependent on fuel concentration and gas density as well as combustion surface temperature, concentration gradient, and flow field. Direct spectrum matching method is developed and used for quantitative measurements. In addition, a comprehensive database of spectra covering the fuel concentrations and gas densities found in the wind tunnel of Research Cell 19 at Wright Patterson Air Force Base is created which can be used for further work.

  11. Species concepts and malaria parasites: detecting a cryptic species of Plasmodium.

    PubMed

    Perkins, S L

    2000-11-22

    Species of malaria parasite (phylum Apicomplexa: genus Plasmodium) have traditionally been described using the similarity species concept (based primarily on differences in morphological or life-history characteristics). The biological species concept (reproductive isolation) and phylogenetic species concept (based on monophyly) have not been used before in defining species of Plasmodium. Plasmodium azurophilum, described from Anolis lizards in the eastern Caribbean, is actually a two-species cryptic complex. The parasites were studied from eight islands, from Puerto Rico in the north to Grenada in the south. Morphology of the two species is very similar (differences are indistinguishable to the eye), but one infects only erythrocytes and the other only white blood cells. Molecular data for the cytochrome b gene reveal that the two forms are reproductively isolated; distinct haplotypes are present on each island and are never shared between the erythrocyte-infecting and leucocyte-infecting species. Each forms a monophyletic lineage indicating that they diverged before becoming established in the anoles of the eastern Caribbean. This comparison of the similarity, biological and phylogenetic species concepts for malaria parasites reveals the limited value of using only similarity measures in defining protozoan species. PMID:11413654

  12. Intracavity OptoGalvanic Spectroscopy not suitable for ambient level radiocarbon detection.

    PubMed

    Paul, Dipayan; Meijer, Harro A J

    2015-09-01

    IntraCavity OptoGalvanic Spectroscopy as a radiocarbon detection technique was first reported by the Murnick group at Rutgers University, Newark, NJ, in 2008. This technique for radiocarbon detection was presented with tremendous potentials for applications in various fields of research. Significantly cheaper, this technique was portrayed as a possible complementary technique to the more expensive and complex accelerator mass spectrometry. Several groups around the world started developing this technique for various radiocarbon related applications. The IntraCavity OptoGalvanic Spectroscopy setup at the University of Groningen was constructed in 2012 in close collaboration with the Murnick group for exploring possible applications in the fields of radiocarbon dating and atmospheric monitoring. In this paper we describe a systematic evaluation of the IntraCavity OptoGalvanic Spectroscopy setup at Groningen for radiocarbon detection. Since the IntraCavity OptoGalvanic Spectroscopy setup was strictly planned for dating and atmospheric monitoring purposes, all the initial experiments were performed with CO2 samples containing contemporary levels and highly depleted levels of radiocarbon. Because of recurring failures in differentiating the two CO2 samples, with the radiocarbon concentration 3 orders of magnitude apart, CO2 samples containing elevated levels of radiocarbon were prepared in-house and experimented with. All results obtained thus far at Groningen are in sharp contrast to the results published by the Murnick group and rather support the results put forward by the Salehpour group at Uppsala University. From our extensive test work, we must conclude that the method is unsuited for ambient level radiocarbon measurements, and even highly enriched CO2 samples yield insignificant signal.

  13. Metabolite profiling of Curcuma species grown in different regions using 1H NMR spectroscopy and multivariate analysis.

    PubMed

    Jung, Youngae; Lee, Jueun; Kim, Ho Kyoung; Moon, Byeong Cheol; Ji, Yunui; Ryu, Do Hyun; Hwang, Geum-Sook

    2012-12-01

    Curcuma is used to treat skin diseases and colic inflammatory disorders, and in insect repellants and antimicrobial and antidiabetic medications. Two Curcuma species (C. aromatica and C. longa) grown in Jeju-do and Jin-do were used in this study. Methanolic extracts were analyzed by (1)H NMR spectroscopy, and metabolite profiling coupled with multivariate analysis was applied to characterize the differences between species or origin. PCA analysis showed significantly greater differences between species than origins, and the metabolites responsible for the differences were identified. The concentrations of sugars (glucose, fructose, and sucrose) and essential oils (eucalyptol, curdione, and germacrone) were significantly different between the two species. However, the samples from Jeju-do and Jin-do were different mainly in their concentrations of organic acids (fumarate, succinate, acetate, and formate) and sugars. This study demonstrates that NMR-based metabolomics is an efficient method for fingerprinting and determining differences between Curcuma species or those grown in different regions.

  14. Fourier transform microwave spectroscopy: A potential new analytical tool for trace gas species

    SciTech Connect

    Suenram, R.D.; Lovas, F.J.; Sams, R.L.

    1994-12-31

    A pulsed molecular beam Fabry-Perot microwave spectrometer has been developed that has demonstrated sensitivities to most polar gas-phase molecular species that are in the low parts-per-billion (ppb) range. The highest sensitivity is obtained using neon or argon carrier gas but nitrogen or air can also be used with some loss in sensitivity due to the less efficient cooling in the molecular beam with diatomic gases. The minimum detectable concentrations for several representative compounds has been determined. These include SO{sub 2}, propene, acrolein, and methyl t-butyl ether. Considerable attention has been given to making the instrument robust for use in industrial laboratories. The instrument is controlled using a standard Intel 486 based computer. A Graphical User Interface (Windows-type) operating system has been developed that makes the instrument extremely user-friendly allowing all instrument control functions to be carried out using a mouse.

  15. Laser Spectroscopy of CH+2 and Its Deuterated Species in the Near Infrared

    NASA Astrophysics Data System (ADS)

    Wang, H.; Morong, C. P.; Kleshcheva, M.; Oka, T.

    2011-05-01

    CH+2 and its deuterated species are potentially very useful astrophysical probes and are an interesting subject for theoretical studies due to their unique intramolecular dynamics. Using He- dominated (~10 Torr) liquid-N2 cooled plasmas containing a small amount (~0.1 Torr) of reagent gas selected from CH4, CD4, CH2D2, and a 1:1 mixture of CH4+CD4, we have measured the spectra of CH+ 2 , CD+ 2 and CHD+ in the near infrared from 11,000 cm-1 to 12,500 cm-1 with our Ti:sapphire laser spectrometer that combines velocity modulation and phase modulation with heterodyne detection for near shot-noise-limited sensitivity. Several low-lying rovibrational bands of CD+ 2 and CHD+ have been measured based on the theoretical predictions by Bunker and colleagues.

  16. Raman spectroscopy-based detection of chemical contaminants in food powders

    NASA Astrophysics Data System (ADS)

    Chao, Kuanglin; Dhakal, Sagar; Qin, Jianwei; Kim, Moon; Bae, Abigail

    2016-05-01

    Raman spectroscopy technique has proven to be a reliable method for qualitative detection of chemical contaminants in food ingredients and products. For quantitative imaging-based detection, each contaminant particle in a food sample must be detected and it is important to determine the necessary spatial resolution needed to effectively detect the contaminant particles. This study examined the effective spatial resolution required for detection of maleic acid in tapioca starch and benzoyl peroxide in wheat flour. Each chemical contaminant was mixed into its corresponding food powder at a concentration of 1% (w/w). Raman spectral images were collected for each sample, leveled across a 45 mm x 45 mm area, using different spatial resolutions. Based on analysis of these images, a spatial resolution of 0.5mm was selected as effective spatial resolution for detection of maleic acid in starch and benzoyl peroxide in flour. An experiment was then conducted using the 0.5mm spatial resolution to demonstrate Raman imaging-based quantitative detection of these contaminants for samples prepared at 0.1%, 0.3%, and 0.5% (w/w) concentrations. The results showed a linear correlation between the detected numbers of contaminant pixels and the actual concentrations of contaminant.

  17. Classification of change detection and change blindness from near-infrared spectroscopy signals.

    PubMed

    Tanaka, Hirokazu; Katura, Takusige

    2011-08-01

    Using a machine-learning classification algorithm applied to near-infrared spectroscopy (NIRS) signals, we classify a success (change detection) or a failure (change blindness) in detecting visual changes for a change-detection task. Five subjects perform a change-detection task, and their brain activities are continuously monitored. A support-vector-machine algorithm is applied to classify the change-detection and change-blindness trials, and correct classification probability of 70-90% is obtained for four subjects. Two types of temporal shapes in classification probabilities are found: one exhibiting a maximum value after the task is completed (postdictive type), and another exhibiting a maximum value during the task (predictive type). As for the postdictive type, the classification probability begins to increase immediately after the task completion and reaches its maximum in about the time scale of neuronal hemodynamic response, reflecting a subjective report of change detection. As for the predictive type, the classification probability shows an increase at the task initiation and is maximal while subjects are performing the task, predicting the task performance in detecting a change. We conclude that decoding change detection and change blindness from NIRS signal is possible and argue some future applications toward brain-machine interfaces.

  18. Classification of change detection and change blindness from near-infrared spectroscopy signals

    NASA Astrophysics Data System (ADS)

    Tanaka, Hirokazu; Katura, Takusige

    2011-08-01

    Using a machine-learning classification algorithm applied to near-infrared spectroscopy (NIRS) signals, we classify a success (change detection) or a failure (change blindness) in detecting visual changes for a change-detection task. Five subjects perform a change-detection task, and their brain activities are continuously monitored. A support-vector-machine algorithm is applied to classify the change-detection and change-blindness trials, and correct classification probability of 70-90% is obtained for four subjects. Two types of temporal shapes in classification probabilities are found: one exhibiting a maximum value after the task is completed (postdictive type), and another exhibiting a maximum value during the task (predictive type). As for the postdictive type, the classification probability begins to increase immediately after the task completion and reaches its maximum in about the time scale of neuronal hemodynamic response, reflecting a subjective report of change detection. As for the predictive type, the classification probability shows an increase at the task initiation and is maximal while subjects are performing the task, predicting the task performance in detecting a change. We conclude that decoding change detection and change blindness from NIRS signal is possible and argue some future applications toward brain-machine interfaces.

  19. Detection biases yield misleading patterns of species persistence and colonization in fragmented landscapes

    USGS Publications Warehouse

    Ruiz-Gutierrez, Viviana; Zipkin, Elise F.

    2011-01-01

    Species occurrence patterns, and related processes of persistence, colonization and turnover, are increasingly being used to infer habitat suitability, predict species distributions, and measure biodiversity potential. The majority of these studies do not account for observational error in their analyses despite growing evidence suggesting that the sampling process can significantly influence species detection and subsequently, estimates of occurrence. We examined the potential biases of species occurrence patterns that can result from differences in detectability across species and habitat types using hierarchical multispecies occupancy models applied to a tropical bird community in an agricultural fragmented landscape. Our results suggest that detection varies widely among species and habitat types. Not incorporating detectability severely biased occupancy dynamics for many species by overestimating turnover rates, producing misleading patterns of persistence and colonization of agricultural habitats, and misclassifying species into ecological categories (i.e., forest specialists and generalists). This is of serious concern, given that most research on the ability of agricultural lands to maintain current levels of biodiversity by and large does not correct for differences in detectability. We strongly urge researchers to apply an inferential framework which explicitly account for differences in detectability to fully characterize species-habitat relationships, correctly guide biodiversity conservation in human-modified landscapes, and generate more accurate predictions of species responses to future changes in environmental conditions.

  20. Identification of different oxygen species in oxide nanostructures with 17O solid-state NMR spectroscopy

    PubMed Central

    Wang, Meng; Wu, Xin-Ping; Zheng, Sujuan; Zhao, Li; Li, Lei; Shen, Li; Gao, Yuxian; Xue, Nianhua; Guo, Xuefeng; Huang, Weixin; Gan, Zhehong; Blanc, Frédéric; Yu, Zhiwu; Ke, Xiaokang; Ding, Weiping; Gong, Xue-Qing; Grey, Clare P.; Peng, Luming

    2015-01-01

    Nanostructured oxides find multiple uses in a diverse range of applications including catalysis, energy storage, and environmental management, their higher surface areas, and, in some cases, electronic properties resulting in different physical properties from their bulk counterparts. Developing structure-property relations for these materials requires a determination of surface and subsurface structure. Although microscopy plays a critical role owing to the fact that the volumes sampled by such techniques may not be representative of the whole sample, complementary characterization methods are urgently required. We develop a simple nuclear magnetic resonance (NMR) strategy to detect the first few layers of a nanomaterial, demonstrating the approach with technologically relevant ceria nanoparticles. We show that the 17O resonances arising from the first to third surface layer oxygen ions, hydroxyl sites, and oxygen species near vacancies can be distinguished from the oxygen ions in the bulk, with higher-frequency 17O chemical shifts being observed for the lower coordinated surface sites. H217O can be used to selectively enrich surface sites, allowing only these particular active sites to be monitored in a chemical process. 17O NMR spectra of thermally treated nanosized ceria clearly show how different oxygen species interconvert at elevated temperature. Density functional theory calculations confirm the assignments and reveal a strong dependence of chemical shift on the nature of the surface. These results open up new strategies for characterizing nanostructured oxides and their applications. PMID:26601133

  1. Proportional counter device for detecting electronegative species in an air sample

    DOEpatents

    Allman, S.L.; Chen, F.C.; Chen, C.H.

    1994-03-08

    Apparatus for detecting an electronegative species comprises an analysis chamber, an inlet communicating with the analysis chamber for admitting a sample containing the electronegative species and an ionizable component, a radioactive source within the analysis chamber for emitting radioactive energy for ionizing a component of the sample, a proportional electron detector within the analysis chamber for detecting electrons emitted from the ionized component, and a circuit for measuring the electrons and determining the presence of the electronegative species by detecting a reduction in the number of available electrons due to capture of electrons by the electronegative species. 2 figures.

  2. Proportional counter device for detecting electronegative species in an air sample

    DOEpatents

    Allman, Steve L.; Chen, Fang C.; Chen, Chung-Hsuan

    1994-01-01

    Apparatus for detecting an electronegative species comprises an analysis chamber, an inlet communicating with the analysis chamber for admitting a sample containing the electronegative species and an ionizable component, a radioactive source within the analysis chamber for emitting radioactive energy for ionizing a component of the sample, a proportional electron detector within the analysis chamber for detecting electrons emitted from the ionized component, and a circuit for measuring the electrons and determining the presence of the electronegative species by detecting a reduction in the number of available electrons due to capture of electrons by the electronegative species.

  3. Activation detection in functional near-infrared spectroscopy by wavelet coherence.

    PubMed

    Zhang, Xin; Yu, Jian; Zhao, Ruirui; Xu, Wenting; Niu, Haijing; Zhang, Yujin; Zuo, Nianming; Jiang, Tianzi

    2015-01-01

    Functional near-infrared spectroscopy (fNIRS) detects hemodynamic responses in the cerebral cortex by transcranial spectroscopy. However, measurements recorded by fNIRS not only consist of the desired hemodynamic response but also consist of a number of physiological noises. Because of these noises, accurately detecting the regions that have an activated hemodynamic response while performing a task is a challenge when analyzing functional activity by fNIRS. In order to better detect the activation, we designed a multiscale analysis based on wavelet coherence. In this method, the experimental paradigm was expressed as a binary signal obtained while either performing or not performing a task. We convolved the signal with the canonical hemodynamic response function to predict a possible response. The wavelet coherence was used to investigate the relationship between the response and the data obtained by fNIRS at each channel. Subsequently, the coherence within a region of interest in the time-frequency domain was summed to evaluate the activation level at each channel. Experiments on both simulated and experimental data demonstrated that the method was effective for detecting activated channels hidden in fNIRS data. PMID:25562502

  4. [Preliminary research on insect damage detection in pecans using terahertz spectroscopy].

    PubMed

    Li, Bin; Wang, Ning; Zhang, Wei-Li; Zhao, Chun-Jiang; Zhang, Bao-Hua

    2014-05-01

    Pecan is an important nut in US, however, the inner insect influences pecan's quality a lot. To realize the nondestructive detection of insect damage in American pecans rapidly and efficiently, preliminary research on insect damage detection in pecans was conducted based on terahertz spectroscopy. Firstly, a set of native pecan nuts were collected and were manually sliced with a thickness of about 1, 2 and 3 mm and with a size of about 2 cm(length) X 1 cm(width) for every pecan nutmeat; Pecan shell and inner separator were also cut into the same size. Secondly, the absorption spectra of the nutmeat slices, shell, and inner separator were collected using THz time-domain spectroscopy (THz-TDS) developed by a group of researchers at Oklahoma State University, and the spectral characteristic of the slices was analyzed. Thirdly, the absorption spectra of the alive manduca sexta and dry pecan weevil were collected, and due to the high contents in the insects, very obvious spectral characteristics were found. Finally, the transmission experiment was conducted with the whole pecans. The results from the preliminary study show a potential application of THz technology for insect damage detection. This research provides a reference for further understanding terahertz and exploring sample preparation methods, test methods, data acquisition and optical parameters calculation methods, and developing nondestructive detection system for insect damage in American pecans based on terahertz technology.

  5. [Preliminary research on insect damage detection in pecans using terahertz spectroscopy].

    PubMed

    Li, Bin; Wang, Ning; Zhang, Wei-Li; Zhao, Chun-Jiang; Zhang, Bao-Hua

    2014-05-01

    Pecan is an important nut in US, however, the inner insect influences pecan's quality a lot. To realize the nondestructive detection of insect damage in American pecans rapidly and efficiently, preliminary research on insect damage detection in pecans was conducted based on terahertz spectroscopy. Firstly, a set of native pecan nuts were collected and were manually sliced with a thickness of about 1, 2 and 3 mm and with a size of about 2 cm(length) X 1 cm(width) for every pecan nutmeat; Pecan shell and inner separator were also cut into the same size. Secondly, the absorption spectra of the nutmeat slices, shell, and inner separator were collected using THz time-domain spectroscopy (THz-TDS) developed by a group of researchers at Oklahoma State University, and the spectral characteristic of the slices was analyzed. Thirdly, the absorption spectra of the alive manduca sexta and dry pecan weevil were collected, and due to the high contents in the insects, very obvious spectral characteristics were found. Finally, the transmission experiment was conducted with the whole pecans. The results from the preliminary study show a potential application of THz technology for insect damage detection. This research provides a reference for further understanding terahertz and exploring sample preparation methods, test methods, data acquisition and optical parameters calculation methods, and developing nondestructive detection system for insect damage in American pecans based on terahertz technology. PMID:25095406

  6. Aspects of the Application of Cavity Enhanced Spectroscopy to Nitrogen Oxides Detection

    PubMed Central

    Wojtas, Jacek; Mikolajczyk, Janusz; Bielecki, Zbigniew

    2013-01-01

    This article presents design issues of high-sensitive laser absorption spectroscopy systems for nitrogen oxides (NOx) detection. Examples of our systems and their investigation results are also described. The constructed systems use one of the most sensitive methods, cavity enhanced absorption spectroscopy (CEAS). They operate at different wavelength ranges using a blue—violet laser diode (410 nm) as well as quantum cascade lasers (5.27 μm and 4.53 μm). Each of them is configured as a one or two channel measurement device using, e.g., time division multiplexing and averaging. During the testing procedure, the main performance features such as detection limits and measurements uncertainties have been determined. The obtained results are 1 ppb NO2, 75 ppb NO and 45 ppb N2O. For all systems, the uncertainty of concentration measurements does not exceed a value of 13%. Some experiments with explosives are also discussed. A setup equipped with a concentrator of explosives vapours was used. The detection method is based either on the reaction of the sensors to the nitrogen oxides directly emitted by the explosives or on the reaction to the nitrogen oxides produced during thermal decomposition of explosive vapours. For TNT, PETN, RDX and HMX a detection limit better than 1 ng has been achieved. PMID:23752566

  7. Aspects of the application of cavity enhanced spectroscopy to nitrogen oxides detection.

    PubMed

    Wojtas, Jacek; Mikolajczyk, Janusz; Bielecki, Zbigniew

    2013-06-10

    This article presents design issues of high-sensitive laser absorption spectroscopy systems for nitrogen oxides (NO(x)) detection. Examples of our systems and their investigation results are also described. The constructed systems use one of the most sensitive methods, cavity enhanced absorption spectroscopy (CEAS). They operate at different wavelength ranges using a blue--violet laser diode (410 nm) as well as quantum cascade lasers (5.27 µm and 4.53 µm). Each of them is configured as a one or two channel measurement device using, e.g., time division multiplexing and averaging. During the testing procedure, the main performance features such as detection limits and measurements uncertainties have been determined. The obtained results are 1 ppb NO(2), 75 ppb NO and 45 ppb N(2)O. For all systems, the uncertainty of concentration measurements does not exceed a value of 13%. Some experiments with explosives are also discussed. A setup equipped with a concentrator of explosives vapours was used. The detection method is based either on the reaction of the sensors to the nitrogen oxides directly emitted by the explosives or on the reaction to the nitrogen oxides produced during thermal decomposition of explosive vapours. For TNT, PETN, RDX and HMX a detection limit better than 1 ng has been achieved.

  8. Early detection of emerging street drugs by near infrared spectroscopy and chemometrics.

    PubMed

    Risoluti, R; Materazzi, S; Gregori, A; Ripani, L

    2016-06-01

    Near-infrared spectroscopy (NIRs) is spreading as the tool of choice for fast and non-destructive analysis and detection of different compounds in complex matrices. This paper investigated the feasibility of using near infrared (NIR) spectroscopy coupled to chemometrics calibration to detect new psychoactive substances in street samples. The capabilities of this approach in forensic chemistry were assessed in the determination of new molecules appeared in the illicit market and often claimed to contain "non-illegal" compounds, although exhibiting important psychoactive effects. The study focused on synthetic molecules belonging to the classes of synthetic cannabinoids and phenethylamines. The approach was validated comparing results with officials methods and has been successfully applied for "in site" determination of illicit drugs in confiscated real samples, in cooperation with the Scientific Investigation Department (Carabinieri-RIS) of Rome. The achieved results allow to consider NIR spectroscopy analysis followed by chemometrics as a fast, cost-effective and useful tool for the preliminary determination of new psychoactive substances in forensic science.

  9. Potential and limits of Raman spectroscopy for carotenoid detection in microorganisms: implications for astrobiology.

    PubMed

    Jehlička, Jan; Edwards, Howell G M; Osterrothová, Kateřina; Novotná, Julie; Nedbalová, Linda; Kopecký, Jiří; Němec, Ivan; Oren, Aharon

    2014-12-13

    In this paper, it is demonstrated how Raman spectroscopy can be used to detect different carotenoids as possible biomarkers in various groups of microorganisms. The question which arose from previous studies concerns the level of unambiguity of discriminating carotenoids using common Raman microspectrometers. A series of laboratory-grown microorganisms of different taxonomic affiliation was investigated, such as halophilic heterotrophic bacteria, cyanobacteria, the anoxygenic phototrophs, the non-halophilic heterotrophs as well as eukaryotes (Ochrophyta, Rhodophyta and Chlorophyta). The data presented show that Raman spectroscopy is a suitable tool to assess the presence of carotenoids of these organisms in cultures. Comparison is made with the high-performance liquid chromatography approach of analysing pigments in extracts. Direct measurements on cultures provide fast and reliable identification of the pigments. Some of the carotenoids studied are proposed as tracers for halophiles, in contrast with others which can be considered as biomarkers of other genera. The limits of application of Raman spectroscopy are discussed for a few cases where the current Raman spectroscopic approach does not allow discriminating structurally very similar carotenoids. The database reported can be used for applications in geobiology and exobiology for the detection of pigment signals in natural settings.

  10. The detection and discrimination of human body fluids using ATR FT-IR spectroscopy.

    PubMed

    Orphanou, Charlotte-Maria; Walton-Williams, Laura; Mountain, Harry; Cassella, John

    2015-07-01

    Blood, saliva, semen and vaginal secretions are the main human body fluids encountered at crime scenes. Currently presumptive tests are routinely utilised to indicate the presence of body fluids, although these are often subject to false positives and limited to particular body fluids. Over the last decade more sensitive and specific body fluid identification methods have been explored, such as mRNA analysis and proteomics, although these are not yet appropriate for routine application. This research investigated the application of ATR FT-IR spectroscopy for the detection and discrimination of human blood, saliva, semen and vaginal secretions. The results demonstrated that ATR FT-IR spectroscopy can detect and distinguish between these body fluids based on the unique spectral pattern, combination of peaks and peak frequencies corresponding to the macromolecule groups common within biological material. Comparisons with known abundant proteins relevant to each body fluid were also analysed to enable specific peaks to be attributed to the relevant protein components, which further reinforced the discrimination and identification of each body fluid. Overall, this preliminary research has demonstrated the potential for ATR FT-IR spectroscopy to be utilised in the routine confirmatory screening of biological evidence due to its quick and robust application within forensic science.

  11. Potential and limits of Raman spectroscopy for carotenoid detection in microorganisms: implications for astrobiology

    PubMed Central

    Jehlička, Jan; Edwards, Howell G. M.; Osterrothová, Kateřina; Novotná, Julie; Nedbalová, Linda; Kopecký, Jiří; Němec, Ivan; Oren, Aharon

    2014-01-01

    In this paper, it is demonstrated how Raman spectroscopy can be used to detect different carotenoids as possible biomarkers in various groups of microorganisms. The question which arose from previous studies concerns the level of unambiguity of discriminating carotenoids using common Raman microspectrometers. A series of laboratory-grown microorganisms of different taxonomic affiliation was investigated, such as halophilic heterotrophic bacteria, cyanobacteria, the anoxygenic phototrophs, the non-halophilic heterotrophs as well as eukaryotes (Ochrophyta, Rhodophyta and Chlorophyta). The data presented show that Raman spectroscopy is a suitable tool to assess the presence of carotenoids of these organisms in cultures. Comparison is made with the high-performance liquid chromatography approach of analysing pigments in extracts. Direct measurements on cultures provide fast and reliable identification of the pigments. Some of the carotenoids studied are proposed as tracers for halophiles, in contrast with others which can be considered as biomarkers of other genera. The limits of application of Raman spectroscopy are discussed for a few cases where the current Raman spectroscopic approach does not allow discriminating structurally very similar carotenoids. The database reported can be used for applications in geobiology and exobiology for the detection of pigment signals in natural settings. PMID:25368348

  12. Multiplex PCR assay for the detection of five meat species forbidden in Islamic foods.

    PubMed

    Ali, Md Eaqub; Razzak, Md Abdur; Hamid, Sharifah Bee Abd; Rahman, Md Mahfujur; Amin, Md Al; Rashid, Nur Raifana Abd; Asing

    2015-06-15

    Food falsification has direct impact on public health, religious faith, fair-trades and wildlife. For the first time, here we described a multiplex polymerase chain reaction assay for the accurate identification of five meat species forbidden in Islamic foods in a single assay platform. Five pairs of species-specific primers were designed targeting mitochondrial ND5, ATPase 6, and cytochrome b genes to amplify 172, 163, 141, 129 and 108 bp DNA fragments from cat, dog, pig, monkey and rat meats, respectively. All PCR products were identified in gel-images and electrochromatograms obtained from Experion Bioanalyzer. Species-specificity checking against 15 important meat and fish and 5 plant species detected no cross-species amplification. Screening of target species in model and commercial meatballs reflected its application to detect target species in process foods. The assay was tested to detect 0.01-0.02 ng DNA under raw states and 1% suspected meats in meatball formulation.

  13. Comparison of two strategies for detection of reactive oxygen species

    NASA Astrophysics Data System (ADS)

    Gao, Weidong; Zhou, Yuanshu; Gu, Yueqing

    2014-09-01

    Photodynamic therapy (PDT) is a clinically approved treatment that was applied to oncology , dermatology, and ophthalmology. Reactive oxygen species (ROS) play a important role in the efficacy of PDT. Online monitoring of reactive oxygen species is the key to understand effect of PDT treatment. We used Fluorescence probes DPBF and luminescent probe luminal to measure the ROS in cells. And we revaluate the relationship between the amount of light and cell survival. There is strongly correlated between the amount of light and cell kill.

  14. Development of fiber optic spectroscopy for detection of genetically modified plants (Invited Paper)

    NASA Astrophysics Data System (ADS)

    Liew, O. W.; Chean, X. Y.; Chong, J.-P. C.; Ho, J.-Z. E.; Chen, J. W.; Asundi, A. K.; Aiemwiwattanakul, O.

    2005-06-01

    In this paper, fibre optic spectroscopy (FOSpectr) was developed for detection and quantification of recombinant green fluorescent protein (EGFP) in transgenic tobacco plants. In vitro detection was first carried out to optimize the sensitivity of the optical system. The bacterial expression vectors, pEGFP and pDsRED, were transformed into Escherichia coli host cells and fluorescent proteins were produced following induction with IPTG. Soluble EGFP and DsRED proteins were isolated from lysed bacterial cells and successfully purified by size separation under nondenaturing electrophoretic conditions and quantified. The purified proteins were serially diluted for quantitative analysis by fibre optic spectroscopy using different light sources, namely, blue LED (475 nm), tungsten halogen (350-1000 nm) and double frequency Nd:YAG green laser (532 nm). Tungsten halogen was found to be unsuitable for excitation of both EGFP and DsRED. Blue LED and green laser were the most suitable for excitation of EGFP and DsRED, respectively. The minimum concentration of EGFP detectable with blue LED excitation was 7.5 tg/ml whereas that for DsRED under excitation by green laser was 3.75 ig/ml. To determine the capability of spectroscopy detection in planta, transgenic tobacco plants expressing EGFP were first imaged under a fluorescence microscope. This was to select a panel of transformed plants expressing varying levels of the fluorescent protein. These plants were then screened via FOSpectr. The results showed that the amplitude of the fluorescence emission signal obtained from FOSpectr correlated well with the level of EGFP expressed as indicated by fluorescence microscopy. Thus, proof-of-concept for the use of FOSpectr as a potentially powerful tool for screening transgenic plants was provided in this paper.

  15. Detection of rhodopsin dimerization in situ by PIE-FCCS, a time-resolved fluorescence spectroscopy.

    PubMed

    Smith, Adam W

    2015-01-01

    Rhodopsin self-associates in the plasma membrane. At low concentrations, the interactions are consistent with a monomer-dimer equilibrium (Comar et al., J Am Chem Soc 136(23):8342-8349, 2014). At high concentrations in native tissue, higher-order clusters have been observed (Fotiadis et al., Nature 421:127-128, 2003). The physiological role of rhodopsin dimerization is still being investigated, but it is clear that a quantitative assessment is essential to determining the function of rhodopsin clusters in vision. To quantify rhodopsin interactions, I will outline the theory and methodology of a specialized time-resolved fluorescence spectroscopy for measuring membrane protein-protein interactions called pulsed-interleaved excitation fluorescence cross-correlation spectroscopy (PIE-FCCS). The strength of this technique is its ability to quantify rhodopsin interactions in situ (i.e., a live cell plasma membrane). There are two reasons for restricting the scope to live cell membranes. First, the compositional heterogeneity of the plasma membrane creates a complex milieu with thousands of lipid, protein, and carbohydrate species. This makes it difficult to infer quaternary interactions from detergent solubilized samples or construct a model phospholipid bilayer that recapitulates all of the interactions present in native membranes. Second, organizational structure and dynamics is a key feature of the plasma membrane, and fixation techniques like formaldehyde cross-linking and vitrification will modulate the interactions. PIE-FCCS is based on two-color fluorescence imaging with time-correlated single-photon counting (TCSPC) (Becker et al., Rev Sci Instrum 70:1835-1841, 1999). By time-tagging every detected photon, the data can be analyzed as a fluorescence intensity distribution, fluorescence lifetime histogram, or fluorescence (cross-)correlation spectra (FCS/FCCS) (Becker, Advanced time-correlated single-photon counting techniques, Springer, Berlin, 2005). These

  16. Noninvasive detection of change in skeletal muscle oxygenation during incremental exercise with near-infrared spectroscopy

    NASA Astrophysics Data System (ADS)

    Liu, Fang; Luo, Qingming; Xu, Guodong; Li, Pengcheng

    2003-12-01

    Near infrared spectroscopy (NIRS) has been developed as a non-invasive method to assess O2 delivery, O2 consumption and blood flow, in diverse local muscle groups at rest and during exercise. The aim of this study was to investigate local O2 consumption in exercising muscle by use of near-infrared spectroscopy (NIRS). Ten elite athletes of different sport items were tested in rest and during step incremental load exercise. Local variations of quadriceps muscles were investigated with our wireless NIRS blood oxygen monitor system. The results show that the changes of blood oxygen relate on the sport items, type of muscle, kinetic capacity et al. These results indicate that NIRS is a potential useful tool to detect local muscle oxygenation and blood flow profiles; therefore it might be easily applied for evaluating the effect of athletes training.

  17. Detection of Cervical Cancer Analyzing Blood Samples with Raman Spectroscopy and Multivariate Analysis

    NASA Astrophysics Data System (ADS)

    González-Solís, J. L.; Rodríguez-López, J.; Martínez-Espinosa, J. C.; Frausto-Reyes, C.; Jave-Suárez, L. F.; Aguilar-Lemarroy, A. C.; Vargas-Rodríguez, H.; Martínez-Cano, E.

    2010-05-01

    The use of Raman spectroscopy to analyze blood biochemistry and hence distinguish between normal and abnormal blood was investigated. The blood samples were obtained from 20 patients who were clinically diagnosed with cervical cancer and 10 healthy volunteer. The imprint was put under the Olympus microscope and several points were chosen for Raman measurement. All spectra were collected at a Jobin-Yvon LabRAM HR800 Raman Spectrometer with NIR 830 nm laser. It is shown that the serum samples from patients with cervical cancer and from the control group can be discriminated when the multivariate statistical methods of Principal Component Analysis (PCA) and Linear Discriminated Analysis (LDA) is applied to their Raman spectra. The ratios of some band intensities were analyzed and some band ratios were significant and corresponded to proteins, phospholipids, and polysaccharides. The preliminary results suggest that Raman spectroscopy could be a new technique for the detection using just blood samples.

  18. Raman spectroscopy detects melanoma and the tissue surrounding melanoma using tissue-engineered melanoma models

    PubMed Central

    Yorucu, Ceyla; Lau, Katherine; Mittar, Shweta; Green, Nicola H.; Raza, Ahtasham; Rehman, Ihtesham Ur; MacNeil, Sheila

    2016-01-01

    ABSTRACT Invasion of melanoma cells from the primary tumor involves interaction with adjacent tissues and extracellular matrix. The extent of this interaction is not fully understood. In this study Raman spectroscopy was applied to cryo-sections of established 3D models of melanoma in human skin. Principal component analysis was used to investigate differences between the tumor and normal tissue and between the peri-tumor area and the normal skin. Two human melanoma cells lines A375SM and C8161 were investigated and compared in 3D melanoma models. Changes were found in protein conformations and tryptophan configurations across the entire melanoma samples, in tyrosine orientation and in more fluid lipid packing only in tumor dense areas, and in increased glycogen content in the peri-tumor areas of melanoma. Raman spectroscopy revealed changes around the perimeter of a melanoma tumor as well as detecting differences between the tumor and the normal tissue. PMID:27158185

  19. Near Infrared Spectroscopy Detection and Quantification of Herbal Medicines Adulterated with Sibutramine.

    PubMed

    da Silva, Neirivaldo Cavalcante; Honorato, Ricardo Saldanha; Pimentel, Maria Fernanda; Garrigues, Salvador; Cervera, Maria Luisa; de la Guardia, Miguel

    2015-09-01

    There is an increasing demand for herbal medicines in weight loss treatment. Some synthetic chemicals, such as sibutramine (SB), have been detected as adulterants in herbal formulations. In this study, two strategies using near infrared (NIR) spectroscopy have been developed to evaluate potential adulteration of herbal medicines with SB: a qualitative screening approach and a quantitative methodology based on multivariate calibration. Samples were composed by products commercialized as herbal medicines, as well as by laboratory adulterated samples. Spectra were obtained in the range of 14,000-4000 per cm. Using PLS-DA, a correct classification of 100% was achieved for the external validation set. In the quantitative approach, the root mean squares error of prediction (RMSEP), for both PLS and MLR models, was 0.2% w/w. The results prove the potential of NIR spectroscopy and multivariate calibration in quantifying sibutramine in adulterated herbal medicines samples. PMID:26260573

  20. High-throughput single-molecule fluorescence spectroscopy using parallel detection

    PubMed Central

    Michalet, X.; Colyer, R. A.; Scalia, G.; Kim, T.; Levi, Moran; Aharoni, Daniel; Cheng, Adrian; Guerrieri, F.; Arisaka, Katsushi; Millaud, Jacques; Rech, I.; Resnati, D.; Marangoni, S.; Gulinatti, A.; Ghioni, M.; Tisa, S.; Zappa, F.; Cova, S.; Weiss, S.

    2011-01-01

    Solution-based single-molecule fluorescence spectroscopy is a powerful new experimental approach with applications in all fields of natural sciences. The basic concept of this technique is to excite and collect light from a very small volume (typically femtoliter) and work in a concentration regime resulting in rare burst-like events corresponding to the transit of a single-molecule. Those events are accumulated over time to achieve proper statistical accuracy. Therefore the advantage of extreme sensitivity is somewhat counterbalanced by a very long acquisition time. One way to speed up data acquisition is parallelization. Here we will discuss a general approach to address this issue, using a multispot excitation and detection geometry that can accommodate different types of novel highly-parallel detector arrays. We will illustrate the potential of this approach with fluorescence correlation spectroscopy (FCS) and single-molecule fluorescence measurements obtained with different novel multipixel single-photon counting detectors. PMID:21625288

  1. Near Infrared Spectroscopy Detection and Quantification of Herbal Medicines Adulterated with Sibutramine.

    PubMed

    da Silva, Neirivaldo Cavalcante; Honorato, Ricardo Saldanha; Pimentel, Maria Fernanda; Garrigues, Salvador; Cervera, Maria Luisa; de la Guardia, Miguel

    2015-09-01

    There is an increasing demand for herbal medicines in weight loss treatment. Some synthetic chemicals, such as sibutramine (SB), have been detected as adulterants in herbal formulations. In this study, two strategies using near infrared (NIR) spectroscopy have been developed to evaluate potential adulteration of herbal medicines with SB: a qualitative screening approach and a quantitative methodology based on multivariate calibration. Samples were composed by products commercialized as herbal medicines, as well as by laboratory adulterated samples. Spectra were obtained in the range of 14,000-4000 per cm. Using PLS-DA, a correct classification of 100% was achieved for the external validation set. In the quantitative approach, the root mean squares error of prediction (RMSEP), for both PLS and MLR models, was 0.2% w/w. The results prove the potential of NIR spectroscopy and multivariate calibration in quantifying sibutramine in adulterated herbal medicines samples.

  2. Detection of methotrexate in a flow system using electrochemical impedance spectroscopy and multivariate data analysis.

    PubMed

    Tesfalidet, Solomon; Geladi, Paul; Shimizu, Kenichi; Lindholm-Sethson, Britta

    2016-03-31

    Methotrexate (MTX), a common pharmaceutical drug in cancer therapy and treatment of rheumatic diseases, is known to cause severe adverse side effects at high dose. As the side effect may be life threatening, there is an urgent need for a continuous, bed-side monitoring of the nominal MTX serum level in a patient while the chemical is being administered. This article describes a detection of MTX using a flow system that consists two modified gold electrodes. Interaction of MTX with the antibodies fixed on the electrode surface is detected by electrochemical impedance spectroscopy and evaluated using singular value decomposition (SVD). The key finding of this work is that the change in the electrode capacitance is found to be quantitative with respect to the concentration of MTX. Moreover a calibration curve constructed using the principal component regression method has a linear range of six orders of magnitude and a detection limit of 1.65 × 10(-10) M.

  3. Rapid Detection of Melamine in Milk Using Immunological Separation and Surface Enhanced Raman Spectroscopy.

    PubMed

    Li, Xiyuan; Feng, Shaolong; Hu, Yaxi; Sheng, Wei; Zhang, Yan; Yuan, Shifang; Zeng, Haishan; Wang, Shuo; Lu, Xiaonan

    2015-06-01

    We integrated immunological separation and surface-enhanced Raman spectroscopy (SERS) to detect melamine in milk. Antimelamine was produced by New Zealand white rabbits following the injection with melamine hapten-ovalbumin immunogen. Melamine was separated from milk by binding to the converted protein G-antimelamine complex. After releasing antimelamine and melamine from the complex, the eluents were deposited directly onto the silver dendrite SERS-active substrate for spectral collection. Multivariate statistical analysis including unsupervised principal component analysis and supervised soft independent modeling of class analogy validated the feasibility of applying this method to detect trace levels of melamine in milk. The limit of detection can be as low as 0.79×10(-3) mmol/L. The overall analysis can be completed in 20 min, thus, it is a high-throughput technique to screen for melamine in milk samples. PMID:25920520

  4. Faraday rotation spectroscopy based on permanent magnets for sensitive detection of oxygen at atmospheric conditions.

    PubMed

    Brumfield, Brian; Wysocki, Gerard

    2012-12-31

    A low-power Faraday rotation spectroscopy system that uses permanent rare-earth magnets has been developed for detection of O₂ at 762 nm. The experimental signals are generated using laser wavelength modulation combined with a balanced detection scheme that permits quantum shot noise limited performance. A noise equivalent polarization rotation angle of 8 × 10⁻⁸ rad/Hz¹/² is estimated from the experimental noise, and this agrees well with a theoretical model based on Jones calculus. A bandwidth normalized minimum detection limit to oxygen of 6 ppmv/Hz¹/² with an ultimate minimum of 1.3 ppmv at integration times of ~1 minute has been demonstrated.

  5. Pulsed quantum cascade laser-based cavity ring-down spectroscopy for ammonia detection in breath.

    PubMed

    Manne, Jagadeeshwari; Sukhorukov, Oleksandr; Jäger, Wolfgang; Tulip, John

    2006-12-20

    Breath analysis can be a valuable, noninvasive tool for the clinical diagnosis of a number of pathological conditions. The detection of ammonia in exhaled breath is of particular interest for it has been linked to kidney malfunction and peptic ulcers. Pulsed cavity ringdown spectroscopy in the mid-IR region has developed into a sensitive analytical technique for trace gas analysis. A gas analyzer based on a pulsed mid-IR quantum cascade laser operating near 970 cm(-1) has been developed for the detection of ammonia levels in breath. We report a sensitivity of approximately 50 parts per billion with a 20 s time resolution for ammonia detection in breath with this system. The challenges and possible solutions for the quantification of ammonia in human breath by the described technique are discussed.

  6. Towards optical fibre based Raman spectroscopy for the detection of surgical site infection

    NASA Astrophysics Data System (ADS)

    Thompson, Alex J.; Koziej, Lukasz; Williams, Huw D.; Elson, Daniel S.; Yang, Guang-Zhong

    2016-03-01

    Surgical site infections (SSIs) are common post-surgical complications that remain significant clinical problems, as they are associated with substantial mortality and morbidity. As such, there is significant interest in the development of minimally invasive techniques that permit early detection of SSIs. To this end, we are applying a compact, clinically deployable Raman spectrometer coupled to an optical fibre probe to the study of bacteria, with the long term goal of using Raman spectroscopy to detect infection in vivo. Our system comprises a 785 nm laser diode for excitation and a commercial (Ocean Optics, Inc.) Raman spectrometer for detection. Here we discuss the design, optimisation and validation of this system, and describe our first experiences interrogating bacterial cells (Escherichia coli) in vitro.

  7. Detection sensitivity of laser-induced breakdown spectroscopy for Cr II in liquid samples

    SciTech Connect

    Rai, Nilesh K.; Rai, Awadhesh K.; Kumar, Akshaya; Thakur, Surya N

    2008-11-01

    The performance of laser-induced breakdown spectroscopy (LIBS) has been evaluated for detection of toxic metals such as Cr in water. Pure aqueous solutions (unitary matrix) with variable Cr concentration were used to construct calibration curves and to estimate the LIBS limit of detection (LOD). The calibration curves for Cr in a binary matrix (Cr plus Cd) and a tertiary matrix (Cr plus Cd and Co) were used to evaluate the matrix effect on the LOD. The LOD for Cr was found to be 1.1, 1.5, and 2.0 ppm (parts in 10{sup 6}) in a unitary, binary, and tertiary matrix, respectively. Once calibrated, the system was utilized for the detection and quantification of the Cr in tannery wastewater collected from different locations in the industrial area of Kanpur, India, where Cr concentrations were determined to be far higher than the U.S. Environmental Protection Agency safe drinking water limit of 0.05 ppm.

  8. Species H rotavirus detected in piglets with diarrhea, Brazil, 2012.

    PubMed

    Molinari, Bruna L D; Lorenzetti, Elis; Otonel, Rodrigo A A; Alfieri, Alice F; Alfieri, Amauri A

    2014-06-01

    We determined nucleotide and deduced amino acid sequences of the rotavirus gene encoding viral protein 6 from 3 fecal samples collected from piglets with diarrhea in Brazil, 2012. The analyses showed that the porcine rotavirus strains in Brazil are closely related to the novel species H rotavirus. PMID:24855935

  9. Ultrasensitive detection of genetically modified plants by fluorescence cross-correlation spectroscopy

    NASA Astrophysics Data System (ADS)

    Li, Junfeng; Xing, Da; Chen, Tongsheng; Liu, Jinfeng

    2006-09-01

    In this study, a novel method for the direct detection of GMP without amplified by the general method of PCR is firstly presented and proved by experiments. In our method, fluorescence correlation spectroscopy, cleaving nucleic acid by restriction endonuclease and two nucleic acid probe hybridization techniques are combined to distinguish the caulifiower mosaic virus (CaMV) 35S promoter and determine whether samples contain genetically modified components. The detection principle is as follows: firstly two restriction endonucleases FOKI and BsrDlare used to cleave the genomic DNA and the 169bp fragments of CaMV 35S promoter are retrieved; secondly, two nucleic acid probes labeled by Rhodamine Green and y5 dyes respectively hybridize with cleaved 169bp fragments of CaMV 35S promoter; thirdly, the hybridization products simultaneously with two dye-labeled probes are detected by fluorescence cross-correlation spectroscopy and GMP is distinguished. As the detection and analysis by FCS can be performed at the level of single molecule, there is no need for any type of amplification. Genetically modified tobaccos are measured by this method. The results indicate this method can detect CaMV 35S promoter of GMP exactly and the sensitivity can be down to 3.47X10 -10M. Because no any type of amplification is involved, this method can avoid the non-specffic amplification and false-positive problems of PCR, Due to its high-sensitivity, simplicity, reliability and little need for sample amounts, this method promises to be a highly effective detection method for GMP.

  10. Predicting the geographic distribution of a species from presence-only data subject to detection errors

    USGS Publications Warehouse

    Dorazio, Robert M.

    2012-01-01

    Several models have been developed to predict the geographic distribution of a species by combining measurements of covariates of occurrence at locations where the species is known to be present with measurements of the same covariates at other locations where species occurrence status (presence or absence) is unknown. In the absence of species detection errors, spatial point-process models and binary-regression models for case-augmented surveys provide consistent estimators of a species’ geographic distribution without prior knowledge of species prevalence. In addition, these regression models can be modified to produce estimators of species abundance that are asymptotically equivalent to those of the spatial point-process models. However, if species presence locations are subject to detection errors, neither class of models provides a consistent estimator of covariate effects unless the covariates of species abundance are distinct and independently distributed from the covariates of species detection probability. These analytical results are illustrated using simulation studies of data sets that contain a wide range of presence-only sample sizes. Analyses of presence-only data of three avian species observed in a survey of landbirds in western Montana and northern Idaho are compared with site-occupancy analyses of detections and nondetections of these species.

  11. Performance assessment and signal processing for range-integrated concentration measurement of gas species using supercontinuum absorption spectroscopy.

    PubMed

    Dobroc, Alexandre; Cézard, Nicolas

    2012-12-10

    In this paper, we propose signal-processing tools adapted to supercontinuum absorption spectroscopy, in order to predict the precision of gas species concentration estimation. These tools are based on Cramer-Rao bounds computations. A baseline-insensitive concentration estimation algorithm is proposed. These calculations are validated by statistical tests on simulated supercontinuum signals as well as experimental data using a near-infrared supercontinuum laser and a grating spectrometer.

  12. Usefulness of near-infrared reflectance (NIR) spectroscopy and chemometrics to discriminate fishmeal batches made with different fish species.

    PubMed

    Cozzolino, Daniel; Chree, A; Scaife, J R; Murray, Ian

    2005-06-01

    Near-infrared reflectance (NIR) spectroscopy combined with chemometrics was used to identify and authenticate fishmeal batches made with different fish species. Samples from a commercial fishmeal factory (n = 60) were scanned in the NIR region (1100-2500 nm) in a monochromator instrument in reflectance. Principal component analysis (PCA), dummy partial least-squares regression (DPLS), and linear discriminant analysis (LDA) based on PCA scores were used to identify the origin of fishmeal produced using different fish species. Cross-validation was used as validation method when classification models were developed. DPLS correctly classified 80 and 82% of the fishmeal samples. LDA calibration models correctly classified >80% of fishmeal samples according to fish species The results demonstrated the usefulness of NIR spectra combined with chemometrics as an objective and rapid method for the authentication and identification of fish species used to manufacture the fishmeal.

  13. Rapid visual detection of eight meat species using optical thin-film biosensor chips.

    PubMed

    Wang, Wei; Zhu, Yepei; Chen, Ying; Xu, Xinglian; Zhou, Guanghong

    2015-01-01

    Adulteration of meat products has become a very serious issue nowadays. To protect consumer rights, food labeling is required in many countries, and efficient and accurate detection methods are essential as well. This paper reports an innovative method for the rapid detection and identification of meat species based on a silicon-based optical thin-film biosensor chip with which color change results can be perceived by the naked eye without any expensive instruments. This biosensor system can simultaneously and specifically detect eight meat species, including deer, rabbit, duck, chicken, beef, horse, sheep, and pork. The absolute detection limit of this method was 0.5 pg of deer/beef DNA, and the practical detection limit was 0.001%. The biosensor detection can be completed within 30 min after PCR amplification. Therefore, this assay permits specific, sensitive, rapid, and simple detection of meat species in raw or cooked meat products.

  14. [Detection of benzoyl peroxide in wheat flour by NIR diffuse reflectance spectroscopy technique].

    PubMed

    Zhang, Zhi-yong; Li, Gang; Liu, Hai-xue; Lin, Ling; Zhang, Bao-ju; Wu, Xiao-rong

    2011-12-01

    Adding benzoyl peroxide (BPO) into wheat flour was prohibited by the relevant government departments since May 1, 2011. And it is of great importance to detect BPO additive amount in wheat flour quickly and accurately. Part of BPO which was added into wheat flour will be deoxidized into benzoic acid, and this make it complex to detect the original BPO additive amount. The objective of the present research is to investigate the potential of NIR diffuse reflectance spectroscopy as a way for measurement of BPO original adding amount in wheat flour. A total of 133 wheat flour samples were prepared by adding different content of BPO into pure wheat flour. Spectra data were obtained by NIR spectrometer and then denoised by wavelet transform. Ninety seven samples were taken as calibration set and other 36 samples as prediction set. Partial least squares regression (PLSR) was applied to establish the calibration model between BPO original adding contents and the spectra data. The determination coefficient of model for the calibration set is 0.8901, and root mean squared error of calibration (RMSEC) is 40.85 mg x kg(-1). The determination coefficient for the prediction set is 0.8865, and root mean squared error of prediction (RMSEP) is 44.69 mg x kg(-1). The result indicates that it is feasible to detect the BPO adding contents in wheat flour by NIR diffuse reflectance spectroscopy technique and this technique has the potential to measure some other additives in food.

  15. [Detection of benzoyl peroxide in wheat flour by NIR diffuse reflectance spectroscopy technique].

    PubMed

    Zhang, Zhi-yong; Li, Gang; Liu, Hai-xue; Lin, Ling; Zhang, Bao-ju; Wu, Xiao-rong

    2011-12-01

    Adding benzoyl peroxide (BPO) into wheat flour was prohibited by the relevant government departments since May 1, 2011. And it is of great importance to detect BPO additive amount in wheat flour quickly and accurately. Part of BPO which was added into wheat flour will be deoxidized into benzoic acid, and this make it complex to detect the original BPO additive amount. The objective of the present research is to investigate the potential of NIR diffuse reflectance spectroscopy as a way for measurement of BPO original adding amount in wheat flour. A total of 133 wheat flour samples were prepared by adding different content of BPO into pure wheat flour. Spectra data were obtained by NIR spectrometer and then denoised by wavelet transform. Ninety seven samples were taken as calibration set and other 36 samples as prediction set. Partial least squares regression (PLSR) was applied to establish the calibration model between BPO original adding contents and the spectra data. The determination coefficient of model for the calibration set is 0.8901, and root mean squared error of calibration (RMSEC) is 40.85 mg x kg(-1). The determination coefficient for the prediction set is 0.8865, and root mean squared error of prediction (RMSEP) is 44.69 mg x kg(-1). The result indicates that it is feasible to detect the BPO adding contents in wheat flour by NIR diffuse reflectance spectroscopy technique and this technique has the potential to measure some other additives in food. PMID:22295772

  16. Detecting Damage in Composite Material Using Nonlinear Elastic Wave Spectroscopy Methods

    NASA Astrophysics Data System (ADS)

    Meo, Michele; Polimeno, Umberto; Zumpano, Giuseppe

    2008-05-01

    Modern aerospace structures make increasing use of fibre reinforced plastic composites, due to their high specific mechanical properties. However, due to their brittleness, low velocity impact can cause delaminations beneath the surface, while the surface may appear to be undamaged upon visual inspection. Such damage is called barely visible impact damage (BVID). Such internal damages lead to significant reduction in local strengths and ultimately could lead to catastrophic failures. It is therefore important to detect and monitor damages in high loaded composite components to receive an early warning for a well timed maintenance of the aircraft. Non-linear ultrasonic spectroscopy methods are promising damage detection and material characterization tools. In this paper, two different non-linear elastic wave spectroscopy (NEWS) methods are presented: single mode nonlinear resonance ultrasound (NRUS) and nonlinear wave modulation technique (NWMS). The NEWS methods were applied to detect delamination damage due to low velocity impact (<12 J) on various composite plates. The results showed that the proposed methodology appear to be highly sensitive to the presence of damage with very promising future NDT and structural health monitoring applications.

  17. Heavy Metal Detection in Soils by Laser Induced Breakdown Spectroscopy Using Hemispherical Spatial Confinement

    NASA Astrophysics Data System (ADS)

    Meng, Deshuo; Zhao, Nanjing; Ma, Mingjun; Wang, Yin; Hu, Li; Yu, Yang; Fang, Li; Liu, Wenqing

    2015-08-01

    Spatial confinement has great potential for Laser Induced Breakdown Spectroscopy (LIBS) instruments after it has been proven that it has the ability to enhance the LIBS signal strength and repeatability. In order to achieve in-situ measurement of heavy metals in farmland soils by LIBS, a hemispherical spatial confinement device is designed and used to collect plasma spectra, in which the optical fibers directly collect the breakdown spectroscopy of the soil samples. This device could effectively increase the stability of the spectrum intensity of soil. It also has other advantages, such as ease of installation, and its small and compact size. The relationship between the spectrum intensity and the laser pulse energy is studied for this device. It is found that the breakdown threshold is 160 cm-2, and when the laser fluence increases to 250 J/cm2, the spectrum intensity reaches its maximum. Four different kinds of laser pulse energy were set up and in each case the limits of detection of Cd, Cu, Ni, Pb and Zn were calculated. The results show that when the laser pulse fluence was 2.12 GW/cm2, we obtained the smallest limits of detection of these heavy metals, which are all under 10 mg/kg. This device can satisfy the needs of heavy metal in-situ detection, and in the next step it will be integrated into a portable LIBS instrument.

  18. Metabolic responses of eukaryotic microalgae to environmental stress limit the ability of FT-IR spectroscopy for species identification

    PubMed Central

    Driver, Thomas; Bajhaiya, Amit K.; Allwood, J. William; Goodacre, Royston; Pittman, Jon K.; Dean, Andrew P.

    2015-01-01

    Fourier Transform Infrared (FT-IR) spectroscopy is a robust method for macromolecular analysis and differentiation of microorganisms. However, most studies are performed in controlled conditions and it is unclear whether this tool is appropriate for the identification of eukaryotic microalgae species from variable environments. In order to address this, nine closely-related species of marine and freshwater microalgae were grown under controlled (non-stressed) and variable (non-stressed and stressed) conditions, including nutrient-stressed and wastewater-stressed conditions. Following optimization of data processing methods, FT-IR spectra from all species and conditions were compared. The substantial metabolic changes that were caused by nutrient starvation restricted the ability of FT-IR spectroscopy to differentiate the microalgal species grown under variable conditions efficiently. Comparison of unsupervised and supervised multivariate data analysis methods found that principal component-discriminant function analysis was able best to differentiate between some species under controlled conditions but still gave poor differentiation under variable environmental conditions. PMID:26839765

  19. Removal of Species Constraints in Antibody Detection

    PubMed Central

    Basile, Alison Jane; Biggerstaff, Brad J.; Kosoy, Olga L.; Junna, Shilpa R.; Panella, Nicholas A.; Powers, Ann M.; Stark, Lillian M.; Nemeth, Nicole M.

    2010-01-01

    Serum antibodies from myriad species, particularly birds, can provide key information regarding the transmission and the expansion of the territory of emerging pathogens. Expedient antibody analysis is constrained by a lack of species-specific reagents, a deficiency potentially highlighted by the recent swine-origin influenza A virus (H1N1) outbreak. Available methodologies present difficulties that discourage thorough serologic monitoring of potential disease vectors or hosts. Rapid high-throughput procedures that combined serum amine labeling via biotinylation, contaminant removal, and microsphere-based immunoassays for antibodies to three arboviruses were developed. Agent-specific adaptations of this simple format should facilitate expanded surveillance and diagnostic capabilities regarding pathogens of human and veterinary importance. PMID:19923570

  20. Modelling cross-hybridization on phylogenetic DNA microarrays increases the detection power of closely related species.

    PubMed

    Engelmann, Julia C; Rahmann, Sven; Wolf, Matthias; Schultz, Jörg; Fritzilas, Epameinondas; Kneitz, Susanne; Dandekar, Thomas; Müller, Tobias

    2009-01-01

    DNA microarrays are a popular technique for the detection of microorganisms. Several approaches using specific oligomers targeting one or a few marker genes for each species have been proposed. Data analysis is usually limited to call a species present when its oligomer exceeds a certain intensity threshold. While this strategy works reasonably well for distantly related species, it does not work well for very closely related species: Cross-hybridization of nontarget DNA prevents a simple identification based on signal intensity. The majority of species of the same genus has a sequence similarity of over 90%. For biodiversity studies down to the species level, it is therefore important to increase the detection power of closely related species. We propose a simple, cost-effective and robust approach for biodiversity studies using DNA microarray technology and demonstrate it on scenedesmacean green algae. The internal transcribed spacer 2 (ITS2) rDNA sequence was chosen as marker because it is suitable to distinguish all eukaryotic species even though parts of it are virtually identical in closely related species. We show that by modelling hybridization behaviour with a matrix algebra approach, we are able to identify closely related species that cannot be distinguished with a threshold on signal intensity. Thus this proof-of-concept study shows that by adding a simple and robust data analysis step to the evaluation of DNA microarrays, species detection can be significantly improved for closely related species with a high sequence similarity.

  1. Selection of species-specific DNA probes which detect strain restriction polymorphism in four Bifidobacterium species.

    PubMed

    Mangin, I; Bourget, N; Simonet, J M; Decaris, B

    1995-01-01

    Randomly cloned fragments (in a size range 1 to 2.5 kb) of DNA from Bifidobacterium longum ATCC 15707, B. adolescentis CIP 64.59T, B. bifidum CIP 64.65 and B. animalis ATCC 25527 were used as hybridization probes to characterize strains of these species and distinguish them from closely related Bifidobacterium species. The fragments were screened for hybridization with native DNA from 41 different Bifidobacterium strains. For each species, a fragment hybridizing specifically with DNA from strains of the same species was isolated. Each fragment was then hybridized with restriction digests in order to study the genome polymorphism. In some of the tested B. longum strains including strain ATCC 15707, the species-specific fragment L6/45 hybridized with 2 fragments instead of one as expected. Sequence of the fragment revealed the presence of an ORF which had an amino acid sequence similar to the site-specific recombinases of lambda integrase family. Moreover, Southern analysis demonstrated that at least 3 copies of this fragment are present in the chromosome of B. longum ATCC 15707 and in some other B. longum strains. The species-specific fragment A6/17 of B. adolescentis hybridized with the same restriction fragment on the eight strains of this species tested. The B. bifidum-specific fragment hybridized with different DNA restriction fragments according to the strain. The restriction fragment an1 from B. animalis ATCC 25527 hybridized with the same restriction fragment from strain B. animalis ATCC 27536. However, these two strains could be differentiated by another restriction pattern. Thus, hybridization results highlight the genetic polymorphism which exists among Bifidobacterium strains of the same species.

  2. Label-free detection of Phytophthora ramorum using surface-enhanced Raman spectroscopy.

    PubMed

    Yüksel, Sezin; Schwenkbier, Lydia; Pollok, Sibyll; Weber, Karina; Cialla-May, Dana; Popp, Jürgen

    2015-11-01

    In this study, we report on a novel approach for the label-free and species-specific detection of the plant pathogen Phytophthora ramorum from real samples using surface enhanced Raman scattering (SERS). In this context, we consider the entire analysis chain including sample preparation, DNA isolation, amplification and hybridization on SERS substrate-immobilized adenine-free capture probes. Thus, the SERS-based detection of target DNA is verified by the strong spectral feature of adenine which indicates the presence of hybridized target DNA. This property was realized by replacing adenine moieties in the species-specific capture probes with 2-aminopurine. In the case of the matching capture and target sequence, the characteristic adenine peak serves as an indicator for specific DNA hybridization. Altogether, this is the first assay demonstrating the detection of a plant pathogen from an infected plant material by label-free SERS employing DNA hybridization on planar SERS substrates consisting of silver nanoparticles.

  3. Specificity and Strain-Typing Capabilities of Nanorod Array-Surface Enhanced Raman Spectroscopy for Mycoplasma pneumoniae Detection.

    PubMed

    Henderson, Kelley C; Benitez, Alvaro J; Ratliff, Amy E; Crabb, Donna M; Sheppard, Edward S; Winchell, Jonas M; Dluhy, Richard A; Waites, Ken B; Atkinson, T Prescott; Krause, Duncan C

    2015-01-01

    Mycoplasma pneumoniae is a cell wall-less bacterial pathogen of the human respiratory tract that accounts for > 20% of all community-acquired pneumonia (CAP). At present the most effective means for detection and strain-typing is quantitative polymerase chain reaction (qPCR), which can exhibit excellent sensitivity and specificity but requires separate tests for detection and genotyping, lacks standardization between available tests and between labs, and has limited practicality for widespread, point-of-care use. We have developed and previously described a silver nanorod array-surface enhanced Raman Spectroscopy (NA-SERS) biosensing platform capable of detecting M. pneumoniae with statistically significant specificity and sensitivity in simulated and true clinical throat swab samples, and the ability to distinguish between reference strains of the two main genotypes of M. pneumoniae. Furthermore, we have established a qualitative lower endpoint of detection for NA-SERS of < 1 genome equivalent (cell/μl) and a quantitative multivariate detection limit of 5.3 ± 1 cells/μl. Here we demonstrate using partial least squares- discriminatory analysis (PLS-DA) of sample spectra that NA-SERS correctly identified M. pneumoniae clinical isolates from globally diverse origins and distinguished these from a panel of 12 other human commensal and pathogenic mycoplasma species with 100% cross-validated statistical accuracy. Furthermore, PLS-DA correctly classified by strain type all 30 clinical isolates with 96% cross-validated accuracy for type 1 strains, 98% cross-validated accuracy for type 2 strains, and 90% cross-validated accuracy for type 2V strains. PMID:26121242

  4. Specificity and Strain-Typing Capabilities of Nanorod Array-Surface Enhanced Raman Spectroscopy for Mycoplasma pneumoniae Detection

    PubMed Central

    Henderson, Kelley C.; Benitez, Alvaro J.; Ratliff, Amy E.; Crabb, Donna M.; Sheppard, Edward S.; Winchell, Jonas M.; Dluhy, Richard A.; Waites, Ken B.; Atkinson, T. Prescott; Krause, Duncan C.

    2015-01-01

    Mycoplasma pneumoniae is a cell wall-less bacterial pathogen of the human respiratory tract that accounts for > 20% of all community-acquired pneumonia (CAP). At present the most effective means for detection and strain-typing is quantitative polymerase chain reaction (qPCR), which can exhibit excellent sensitivity and specificity but requires separate tests for detection and genotyping, lacks standardization between available tests and between labs, and has limited practicality for widespread, point-of-care use. We have developed and previously described a silver nanorod array-surface enhanced Raman Spectroscopy (NA-SERS) biosensing platform capable of detecting M. pneumoniae with statistically significant specificity and sensitivity in simulated and true clinical throat swab samples, and the ability to distinguish between reference strains of the two main genotypes of M. pneumoniae. Furthermore, we have established a qualitative lower endpoint of detection for NA-SERS of < 1 genome equivalent (cell/μl) and a quantitative multivariate detection limit of 5.3 ± 1 cells/μl. Here we demonstrate using partial least squares- discriminatory analysis (PLS-DA) of sample spectra that NA-SERS correctly identified M. pneumoniae clinical isolates from globally diverse origins and distinguished these from a panel of 12 other human commensal and pathogenic mycoplasma species with 100% cross-validated statistical accuracy. Furthermore, PLS-DA correctly classified by strain type all 30 clinical isolates with 96% cross-validated accuracy for type 1 strains, 98% cross-validated accuracy for type 2 strains, and 90% cross-validated accuracy for type 2V strains. PMID:26121242

  5. Specificity and Strain-Typing Capabilities of Nanorod Array-Surface Enhanced Raman Spectroscopy for Mycoplasma pneumoniae Detection.

    PubMed

    Henderson, Kelley C; Benitez, Alvaro J; Ratliff, Amy E; Crabb, Donna M; Sheppard, Edward S; Winchell, Jonas M; Dluhy, Richard A; Waites, Ken B; Atkinson, T Prescott; Krause, Duncan C

    2015-01-01

    Mycoplasma pneumoniae is a cell wall-less bacterial pathogen of the human respiratory tract that accounts for > 20% of all community-acquired pneumonia (CAP). At present the most effective means for detection and strain-typing is quantitative polymerase chain reaction (qPCR), which can exhibit excellent sensitivity and specificity but requires separate tests for detection and genotyping, lacks standardization between available tests and between labs, and has limited practicality for widespread, point-of-care use. We have developed and previously described a silver nanorod array-surface enhanced Raman Spectroscopy (NA-SERS) biosensing platform capable of detecting M. pneumoniae with statistically significant specificity and sensitivity in simulated and true clinical throat swab samples, and the ability to distinguish between reference strains of the two main genotypes of M. pneumoniae. Furthermore, we have established a qualitative lower endpoint of detection for NA-SERS of < 1 genome equivalent (cell/μl) and a quantitative multivariate detection limit of 5.3 ± 1 cells/μl. Here we demonstrate using partial least squares- discriminatory analysis (PLS-DA) of sample spectra that NA-SERS correctly identified M. pneumoniae clinical isolates from globally diverse origins and distinguished these from a panel of 12 other human commensal and pathogenic mycoplasma species with 100% cross-validated statistical accuracy. Furthermore, PLS-DA correctly classified by strain type all 30 clinical isolates with 96% cross-validated accuracy for type 1 strains, 98% cross-validated accuracy for type 2 strains, and 90% cross-validated accuracy for type 2V strains.

  6. [The error analysis and experimental verification of laser radar spectrum detection and terahertz time domain spectroscopy].

    PubMed

    Liu, Wen-Tao; Li, Jing-Wen; Sun, Zhi-Hui

    2010-03-01

    Terahertz waves (THz, T-ray) lie between far-infrared and microwave in electromagnetic spectrum with frequency from 0.1 to 10 THz. Many chemical agent explosives show characteristic spectral features in the terahertz. Compared with conventional methods of detecting a variety of threats, such as weapons and chemical agent, THz radiation is low frequency and non-ionizing, and does not give rise to safety concerns. The present paper summarizes the latest progress in the application of terahertz time domain spectroscopy (THz-TDS) to chemical agent explosives. A kind of device on laser radar detecting and real time spectrum measuring was designed which measures the laser spectrum on the bases of Fourier optics and optical signal processing. Wedge interferometer was used as the beam splitter to wipe off the background light and detect the laser and measure the spectrum. The result indicates that 10 ns laser radar pulse can be detected and many factors affecting experiments are also introduced. The combination of laser radar spectrum detecting, THz-TDS, modern pattern recognition and signal processing technology is the developing trend of remote detection for chemical agent explosives. PMID:20496663

  7. [The error analysis and experimental verification of laser radar spectrum detection and terahertz time domain spectroscopy].

    PubMed

    Liu, Wen-Tao; Li, Jing-Wen; Sun, Zhi-Hui

    2010-03-01

    Terahertz waves (THz, T-ray) lie between far-infrared and microwave in electromagnetic spectrum with frequency from 0.1 to 10 THz. Many chemical agent explosives show characteristic spectral features in the terahertz. Compared with conventional methods of detecting a variety of threats, such as weapons and chemical agent, THz radiation is low frequency and non-ionizing, and does not give rise to safety concerns. The present paper summarizes the latest progress in the application of terahertz time domain spectroscopy (THz-TDS) to chemical agent explosives. A kind of device on laser radar detecting and real time spectrum measuring was designed which measures the laser spectrum on the bases of Fourier optics and optical signal processing. Wedge interferometer was used as the beam splitter to wipe off the background light and detect the laser and measure the spectrum. The result indicates that 10 ns laser radar pulse can be detected and many factors affecting experiments are also introduced. The combination of laser radar spectrum detecting, THz-TDS, modern pattern recognition and signal processing technology is the developing trend of remote detection for chemical agent explosives.

  8. Rapid and highly sensitive detection of Enterovirus 71 by using nanogold-enhanced electrochemical impedance spectroscopy

    NASA Astrophysics Data System (ADS)

    Li, Hsing-Yuan; Tseng, Shing-Hua; Cheng, Tsai-Mu; Chu, Hsueh-Liang; Lu, Yu-Ning; Wang, Fang-Yu; Tsai, Li-Yun; Shieh, Juo-Yu; Yang, Jyh-Yuan; Juan, Chien-Chang; Tu, Lung-Chen; Chang, Chia-Ching

    2013-07-01

    Enterovirus 71 (EV71) infection is an emerging infectious disease causing neurological complications and/or death within two to three days after the development of fever and rash. A low viral titre in clinical specimens makes the detection of EV71 difficult. Conventional approaches for detecting EV71 are time consuming, poorly sensitive, or complicated, and cannot be used effectively for clinical diagnosis. Furthermore, EV71 and Coxsackie virus A16 (CA16) may cross react in conventional assays. Therefore, a rapid, highly sensitive, specific, and user-friendly test is needed. We developed an EV71-specific nanogold-modified working electrode for electrochemical impedance spectroscopy in the detection of EV71. Our results show that EV71 can be distinguished from CA16, Herpes simplex virus, and lysozyme, with the modified nanogold electrode being able to detect EV71 in concentrations as low as 1 copy number/50 μl reaction volume, and the duration between sample preparation and detection being 11 min. This detection platform may have the potential for use in point-of-care diagnostics.

  9. Detection of tire tread particles using laser-induced breakdown spectroscopy

    NASA Astrophysics Data System (ADS)

    Prochazka, David; Bilík, Martin; Prochazková, Petra; Klus, Jakub; Pořízka, Pavel; Novotný, Jan; Novotný, Karel; Ticová, Barbora; Bradáč, Albert; Semela, Marek; Kaiser, Jozef

    2015-06-01

    The objective of this paper is a study of the potential of laser induced breakdown spectroscopy (LIBS) for detection of tire tread particles. Tire tread particles may represent pollutants; simultaneously, it is potentially possible to exploit detection of tire tread particles for identification of optically imperceptible braking tracks at locations of road accidents. The paper describes the general composition of tire treads and selection of an element suitable for detection using the LIBS method. Subsequently, the applicable spectral line is selected considering interferences with lines of elements that might be present together with the detected particles, and optimization of measurement parameters such as incident laser energy, gate delay and gate width is performed. In order to eliminate the matrix effect, measurements were performed using 4 types of tires manufactured by 3 different producers. An adhesive tape was used as a sample carrier. The most suitable adhesive tape was selected from 5 commonly available tapes, on the basis of their respective LIBS spectra. Calibration standards, i.e. an adhesive tape with different area content of tire tread particles, were prepared for the selected tire. A calibration line was created on the basis of the aforementioned calibration standards. The linear section of this line was used for determination of the detection limit value applicable to the selected tire. Considering the insignificant influence of matrix of various types of tires, it is possible to make a simple recalculation of the detection limit value on the basis of zinc content in a specific tire.

  10. Rapid detection of chlorpyrifos pesticide residue concentration in agro-product using Raman spectroscopy

    NASA Astrophysics Data System (ADS)

    Dhakal, Sagar; Peng, Yankun; Li, Yongyu; Chao, Kuanglin; Qin, Jianwei; Zhang, Leilei; Xu, Tianfeng

    2014-05-01

    Different chemicals are sprayed in fruits and vegetables before and after harvest for better yield and longer shelf-life of crops. Cases of pesticide poisoning to human health are regularly reported due to excessive application of such chemicals for greater economic benefit. Different analytical technologies exist to detect trace amount of pesticides in fruits and vegetables, but are expensive, sample destructive, and require longer processing time. This study explores the application of Raman spectroscopy for rapid and non-destructive detection of pesticide residue in agricultural products. Raman spectroscopy with laser module of 785 nm was used to collect Raman spectral information from the surface of Gala apples contaminated with different concentrations of commercially available organophosphorous (48% chlorpyrifos) pesticide. Apples within 15 days of harvest from same orchard were used in this study. The Raman spectral signal was processed by Savitzky-Golay (SG) filter for noise removal, Multiplicative Scatter Correction (MSC) for drift removal and finally polynomial fitting was used to eliminate the fluorescence background. The Raman spectral peak at 677 cm-1 was recognized as Raman fingerprint of chlorpyrifos. Presence of Raman peak at 677 cm-1 after fluorescence background removal was used to develop classification model (presence and absence of pesticide). The peak intensity was correlated with actual pesticide concentration obtained using Gas Chromatography and MLR prediction model was developed with correlation coefficient of calibration and validation of 0.86 and 0.81 respectively. Result shows that Raman spectroscopy is a promising tool for rapid, real-time and non-destructive detection of pesticide residue in agro-products.

  11. Explosives standoff detection using Raman spectroscopy: from bulk towards trace detection

    NASA Astrophysics Data System (ADS)

    Pettersson, Anna; Wallin, Sara; Östmark, Henric; Ehlerding, Anneli; Johansson, Ida; Nordberg, Markus; Ellis, Hanna; Al-Khalili, Ahmed

    2010-04-01

    This paper gives a brief overview on our latest progress in the area of standoff detection. Standoff Raman measurements from 200 m and 470 m distance have been performed on bulk amounts of TATP and AN respectively, the former through a double sided window, the latter under heavy rain. Resonance Raman measurements on TNT, DNT and NM vapors in the ppm concentration regime are presented, showing resonance enhancement in the range of 2 200 (NM) to 57 000 (TNT) as compared to 532 nm Raman cross sections. Finally, the application of hyper spectral Raman imaging is described, exemplified by the resolution of four different samples (sulphur, AN, DNT, and TNT) in the form of 5 mm wide discs in one single image.

  12. Detection of dilute organic acids in water by inelastic tunneling spectroscopy

    NASA Technical Reports Server (NTRS)

    Skarlatos, Y.; Barker, R. C.; Haller, G. L.; Yelon, A.

    1974-01-01

    Study of inelastic electron tunneling spectroscopy (IETS) spectra obtained from junctions exposed to dilute solutions of organic molecules in both liquid and vapor phases. The results indicate that it is possible in principle to detect the presence and to measure the concentration of at least some organic molecules in dilute aqueous solution by means of the IETS technique. Some fine points pertaining to the application of this technique are discussed, and it is pointed out that through appropriate refinements IETS may become a valuable tool for analytical water chemistry.

  13. Detection and mapping of latent fingerprints by laser-induced breakdown spectroscopy.

    PubMed

    Taschuk, M T; Tsui, Y Y; Fedosejevs, R

    2006-11-01

    Detection of latent fingerprints on a Si wafer by laser-induced breakdown spectroscopy (LIBS) is demonstrated using approximately 120 fs pulses at 400 nm with energies of 84 +/- 7 microJ. The presence of a fingerprint ridge is found by observing the Na emission lines from the transferred skin oil. The presence of the thin layer of transferred oil was also found to be sufficient to suppress the LIBS signal from the Si substrate, giving an alternative method of mapping the latent fingerprint using the Si emission. A two-dimensional image of a latent fingerprint can be successfully collected using these techniques.

  14. Optical-fiber-based laser-induced breakdown spectroscopy for detection of early caries

    NASA Astrophysics Data System (ADS)

    Sasazawa, Shuhei; Kakino, Satoko; Matsuura, Yuji

    2015-06-01

    A laser-induced breakdown spectroscopy (LIBS) system targeting for the in vivo analysis of tooth enamel is described. The system is planned to enable real-time analysis of teeth during laser dental treatment by utilizing a hollow optical fiber that transmits both Q-switched Nd:YAG laser light for LIBS and infrared Er:YAG laser light for tooth ablation. The sensitivity of caries detection was substantially improved by expanding the spectral region under analysis to ultraviolet (UV) light and by focusing on emission peaks of Zn in the UV region. Subsequently, early caries were distinguished from healthy teeth with accuracy rates above 80% in vitro.

  15. Non-gated laser-induced breakdown spectroscopy in bulk water by position-selective detection

    SciTech Connect

    Tian, Ye; Xue, Boyang; Song, Jiaojian; Lu, Yuan; Zheng, Ronger

    2015-09-14

    Temporal and spatial evolutions of the laser-induced plasma in bulk water are investigated using fast imaging and emission spectroscopic techniques. By tightly focusing a single-pulse nanosecond Nd: YAG laser beam into the bulk water, we generate a strongly expanded plasma with high reproducibility. Such a strong expanding plasma enables us to obtain well-resolved spectral lines by means of position-selective detection; hence, the time-gated detector becomes abdicable. The present results suggest not only a possible non-gated approach for underwater laser-induced breakdown spectroscopy but also give an insight into the plasma generation and expansion in bulk water.

  16. Detection of orange juice frauds using front-face fluorescence spectroscopy and Independent Components Analysis.

    PubMed

    Ammari, Faten; Redjdal, Lamia; Rutledge, Douglas N

    2015-02-01

    The aim of this study was to find simple objective analytical methods to assess the adulteration of orange juice by grapefruit juice. The adulterations by addition of grapefruit juice were studied by 3D-front-face fluorescence spectroscopy followed by Independent Components Analysis (ICA) and by classical methods such as free radical scavenging activity and total flavonoid content. The results of this study clearly indicate that frauds by adding grapefruit juice to orange juice can be detected at percentages as low as 1%.

  17. Measurement of Oxygen A Band Line Parameters by Using Modulation Spectroscopy with Higher Harmonic Detection

    NASA Technical Reports Server (NTRS)

    Dharamsi, Amin

    1999-01-01

    Wavelength modulation spectroscopy is used to demonstrate that extremely weak absorption lines can be measured even when these lines suffer from interference from the wings of adjacent stronger lines. It is shown that the use of detection at several harmonics allows such interference to be examined clearly and conveniently. The results of experimental measurements on a weak magnetic dipole driven, spin-forbidden line in the oxygen A band, which experiences interference from the wings of a pair of adjacent lines towards the blue and red regions of line center, are presented. A comparison of the experimental results to theory is given.

  18. Portable fluorescence spectroscopy platform for Huanglongbing (HLB) citrus disease in situ detection

    NASA Astrophysics Data System (ADS)

    Mota, Alessandro D.; Rossi, Giuliano; de Castro, Guilherme Cunha; Ortega, Tiago A.; de Castro N., Jarbas C.

    2014-02-01

    In this work, the development of a portable fluorescence spectroscopy platform for Huanglongbing (HLB) citrus disease in situ detection is presented. The equipment consists of an excitation blue LED light source, a commercial miniature spectrometer and embedded software. Measurements of healthy, HLB-symptomatic and HLB-asymptomatic citrus leafs were performed. Leafs were excited with the blue LED and their fluorescence spectra collected. Embedded electronics and software were responsible for the spectrum processing and classification via partial least squares regression. Global success rates above 80% and 100% distinction of healthy and HLB-symptomatic leafs were obtained.

  19. Detection and quantification of hogwash oil in soybean oils using low-cost spectroscopy and chemometrics

    NASA Astrophysics Data System (ADS)

    Mignani, A. G.; Ciaccheri, L.; Mencaglia, A. A.; Cichelli, A.; Xing, J.; Yang, X.; Sun, W.; Yuan, L.

    2013-05-01

    This paper presents the detection and quantification of hogwash oil in soybean oils by means of absorption spectroscopy. Three types of soybean oils were adulterated with different concentrations of hogwash oil. The spectra were measured in the visible band using a white LED and a low-cost spectrometer. The measured spectra were processed by means of multivariate analysis to distinguish the adulteration and, for each soybean oil, to quantify the adulterant concentration. Then the visible spectra were sliced into two bands for modeling a simple setup made of two LEDs only. The successful results indicate potentials for implementing a smartphone-compatible device for self-assessment of soybean oil quality.

  20. Functional cerebral activation detected by frequency-domain near-infrared spectroscopy

    NASA Astrophysics Data System (ADS)

    Toronov, Vladislav Y.; Webb, Andrew G.; Choi, Jee H.; Wolf, Martin; Safonova, Larisa P.; Wolf, Ursula; Gratton, Enrico

    2002-07-01

    The aim of our study was to explore the possibility of detecting haemodynamic changes in the brain using frequency- domain near-IR spectroscopy by exploiting the phase of the intensity modulated optical signal. To obtain optical signals with eh highest possible signal-to-noise ratio, we performed simultaneous NIRS-fMRI measurements, with subsequent correlation of the time courses of both measurements. The cognitive paradigm used arithmetic calculations, with optical signals acquired with sensors placed on the forehead. In three subjects we demonstrated correlation between the haemodynamic signals obtained using NIRS and BOLD fMRI.

  1. Transient absorption spectroscopy detection of sensitized delayed fluorescence in chiral benzophenone/naphthalene systems

    NASA Astrophysics Data System (ADS)

    Bonancía, Paula; Jiménez, M. Consuelo; Miranda, Miguel A.

    2011-10-01

    Transient absorption spectroscopy has proven to be a powerful tool to investigate the formation and decay of excited singlet states upon triplet-triplet annihilation, following T-T energy transfer from a selectively excited sensitizer. Thus, upon selective excitation of benzophenone (BZP) by laser flash photolysis (LFP) at λ = 355 nm in the presence of naphthalene (NPT), a negative band centered at 340 nm has been detected, with growth and decay in the microsecond timescale. It has been assigned to the P-type NPT delayed-fluorescence. In the case of chiral BZP/NPT systems, stereodifferentiation has been observed in the kinetics of the involved photophysical processes.

  2. IR/THz Double Resonance Spectroscopy Approach for Remote Chemical Detection at Atmospheric Pressure

    NASA Astrophysics Data System (ADS)

    Tanner, Elizabeth A.; Phillips, Dane J.; De Lucia, Frank C.; Everitt, Henry O.

    2013-06-01

    A remote sensing methodology based on infrared/terahertz (IR/THz) double resonance (DR) spectroscopy is shown to overcome limitations traditionally associated with either IR or THz spectroscopic approaches for detecting trace gases in an atmosphere. The applicability of IR/THz DR spectroscopy is explored by estimating the IR and THz power requirements for detecting a 100 part-per-million-meter cloud of methyl fluoride, methyl chloride, or methyl bromide at ranges up to 1km in three atmospheric windows below 0.3 THz. These prototypical molecules are used to ascertain the dependence of the DR signal-to-noise ratio on IR and THz beam power. A line-tunable CO_2 laser with 100 ps pulse duration generates a DR signature in four rotational transitions on a time scale commensurate with collisional relaxations caused by atmospheric N_2 and O_2. A continuous wave THz beam is frequency tuned to probe one of these rotational transitions so that laser-induced absorption variations in the analyte cloud are detected as temporal power fluctuations synchronized with the laser pulses. A combination of molecule-specific physics and scenario-dependent atmospheric conditions are used to predict the signal-to-noise ratio (SNR) for detecting an analyte as a function of cloud column density. A methodology is presented by which the optimal IR/THz pump/probe frequencies are identified. These estimates show the potential for low concentration chemical detection in a challenging atmospheric scenario with currently available or near term hardware components.

  3. Raman Spectroscopy as a Potential Tool for Detection of Brucella spp. in Milk

    PubMed Central

    Meisel, Susann; Stöckel, Stephan; Elschner, Mandy; Melzer, Falk; Popp, Jürgen

    2012-01-01

    Detection of Brucella, causing brucellosis, is very challenging, since the applied techniques are mostly time-demanding and not standardized. While the common detection system relies on the cultivation of the bacteria, further classical typing up to the biotype level is mostly based on phenotypic or genotypic characteristics. The results of genotyping do not always fit the existing taxonomy, and misidentifications between genetically closely related genera cannot be avoided. This situation gets even worse, when detection from complex matrices, such as milk, is necessary. For these reasons, the availability of a method that allows early and reliable identification of possible Brucella isolates for both clinical and epidemiological reasons would be extremely useful. We evaluated micro-Raman spectroscopy in combination with chemometric analysis to identify Brucella from agar plates and directly from milk: prior to these studies, the samples were inactivated via formaldehyde treatment to ensure a higher working safety. The single-cell Raman spectra of different Brucella, Escherichia, Ochrobactrum, Pseudomonas, and Yersinia spp. were measured to create two independent databases for detection in media and milk. Identification accuracies of 92% for Brucella from medium and 94% for Brucella from milk were obtained while analyzing the single-cell Raman spectra via support vector machine. Even the identification of the other genera yielded sufficient results, with accuracies of >90%. In summary, micro-Raman spectroscopy is a promising alternative for detecting Brucella. The measurements we performed at the single-cell level thus allow fast identification within a few hours without a demanding process for sample preparation. PMID:22660699

  4. Standoff detection of chemical and biological threats using laser-induced breakdown spectroscopy.

    PubMed

    Gottfried, Jennifer L; De Lucia, Frank C; Munson, Chase A; Miziolek, Andrzej W

    2008-04-01

    Laser-induced breakdown spectroscopy (LIBS) is a promising technique for real-time chemical and biological warfare agent detection in the field. We have demonstrated the detection and discrimination of the biological warfare agent surrogates Bacillus subtilis (BG) (2% false negatives, 0% false positives) and ovalbumin (0% false negatives, 1% false positives) at 20 meters using standoff laser-induced breakdown spectroscopy (ST-LIBS) and linear correlation. Unknown interferent samples (not included in the model), samples on different substrates, and mixtures of BG and Arizona road dust have been classified with reasonable success using partial least squares discriminant analysis (PLS-DA). A few of the samples tested such as the soot (not included in the model) and the 25% BG:75% dust mixture resulted in a significant number of false positives or false negatives, respectively. Our preliminary results indicate that while LIBS is able to discriminate biomaterials with similar elemental compositions at standoff distances based on differences in key intensity ratios, further work is needed to reduce the number of false positives/negatives by refining the PLS-DA model to include a sufficient range of material classes and carefully selecting a detection threshold. In addition, we have demonstrated that LIBS can distinguish five different organophosphate nerve agent simulants at 20 meters, despite their similar stoichiometric formulas. Finally, a combined PLS-DA model for chemical, biological, and explosives detection using a single ST-LIBS sensor has been developed in order to demonstrate the potential of standoff LIBS for universal hazardous materials detection.

  5. Mid-Infrared Pumped Laser-Induced Thermal Grating Spectroscopy for Detection of Acetylene in the Visible Spectral Range.

    PubMed

    Sahlberg, Anna-Lena; Kiefer, Johannes; Aldén, Marcus; Li, Zhongshan

    2016-06-01

    We present mid-infrared laser-induced thermal grating spectroscopy (IR-LITGS) using excitation radiation around 3 µm generated by a simple broadband optical parametric oscillator (OPO). Acetylene as a typical small hydrocarbon molecule is used as an example target species. A mid-infrared broadband OPO pumped by the fundamental output of a neodymium-doped yttrium aluminum garnet (Nd:YAG) laser was used to generate the pump beams, with pulse energies of 6-10 mJ depending on the wavelength. The line width of the OPO idler beam was ∼5 cm(-1), which is large enough to cover up to six adjacent acetylene lines. The probe beam was the radiation of a 532 nm cw solid state laser with 190 mW output power. Signals were generated in atmospheric pressure gas flows of N2, air, CO2 and Ar with small admixtures of C2H2 A detection limit of less than 300 ppm was found for a point measurement of C2H2 diluted in N2 As expected, the oscillation frequency of the IR-LITGS signal was found to have a large dependency on the buffer gas, which allows determination of the speed of sound. Moreover, the results reveal a very strong collisional energy exchange between C2H2 and CO2 compared to the other gases. This manifests as significant local heating. In summary, the MIR-LITGS technique enables spectroscopy of fundamental vibrational transitions in the infrared via detection in the visible spectral range. PMID:27091904

  6. Species-Specific Detection and Identification of Fusarium Species Complex, the Causal Agent of Sugarcane Pokkah Boeng in China

    PubMed Central

    Que, Youxiong; Wang, Jihua; Comstock, Jack C.; Wei, Jinjin; McCord, Per H.; Chen, Baoshan; Chen, Rukai; Zhang, Muqing

    2014-01-01

    Background Pokkah boeng disease caused by the Fusarium species complex results in significant yield losses in sugarcane. Thus, the rapid and accurate detection and identification of the pathogen is urgently required to manage and prevent the spreading of sugarcane pokkah boeng. Methods A total of 101 isolates were recovered from the pokkah boeng samples collected from five major sugarcane production areas in China throughout 2012 and 2013. The causal pathogen was identified by morphological observation, pathogenicity test, and phylogenetic analysis based on the fungus-conserved rDNA-ITS. Species-specific TaqMan real-time PCR and conventional PCR methods were developed for rapid and accurate detection of the causal agent of sugarcane pokkah boeng. The specificity and sensitivity of PCR assay were also evaluated on a total of 84 isolates of Fusarium from China and several isolates from other fungal pathogens of Sporisorium scitamineum and Phoma sp. and sugarcane endophyte of Acremonium sp. Result Two Fusarium species (F. verticillioides and F. proliferatum) that caused sugarcane pokahh boeng were identified by morphological observation, pathogenicity test, and phylogenetic analysis. Species-specific TaqMan PCR and conventional PCR were designed and optimized to target their rDNA-ITS regions. The sensitivity of the TaqMan PCR was approximately 10 pg of fungal DNA input, which was 1,000-fold over conventional PCR, and successfully detected pokkah boeng in the field-grown sugarcane. Conclusions/Significance This study was the first to identify two species, F. verticillioides and F. proliferatum, that were causal pathogens of sugarcane pokkah boeng in China. It also described the development of a species-specific PCR assay to detect and confirm these pathogens in sugarcane plants from mainland China. This method will be very useful for a broad range of research endeavors as well as the regulatory response and management of sugarcane pokkah boeng. PMID:25141192

  7. Detection and identification of Legionella species from groundwaters.

    PubMed

    Brooks, Teresa; Osicki, Raegan; Springthorpe, V; Sattar, Syed; Filion, Lionel; Abrial, David; Riffard, Serge

    Legionellae are opportunistic bacterial pathogens causing Legionnaires' disease and Pontiac fever and are ubiquitous in surface waters and in infrastructure to contain or distribute water, including pipes, cooling towers, and whirlpool spas. Infection in community-acquired and nosocomial outbreaks is by exposure to contaminated aerosols. Little is known about the presence of legionellae in groundwater. This study used samples from various locations in the United States and Canada to determine if legionellae could be isolated from water and biofilms derived from groundwaters not known to be under the direct influence of surface water. Of the 114 total samples of water and biofilm tested, 29.1% and 28.2% were positive for Legionella by cultivation and polymerase chain reaction (PCR), respectively. Legionellae were found in both warm and colder groundwaters, with more isolates from samples incubated at 30 degrees C than the 35 degrees C conventional temperature for Legionella isolation. The concentration of Legionella found in the water samples ranged from 10(2) to 10(5) CFU/L and up to 1.2 x 10(2) CFU/cm(2) in the biofilm. The species of Legionella identified included both known pathogenic species and species that have not yet been identified as human pathogens. Millions of people in Canada, and around the world, rely on groundwater as their source for drinking. This study shows that legionellae are widespread in groundwater and have the potential to seed derived water supplies and biofilms in public distribution systems. This further widens the known sphere of Legionella colonization and the implications of its presence for public health. PMID:15371220

  8. Detection and characterization of human tissue lesions with near-infrared Raman spectroscopy

    NASA Astrophysics Data System (ADS)

    Feld, Michael S.; Manoharan, Ramasamy; Salenius, Juha; Orenstein-Carndona, Jacobo; Roemer, Tjeerd J.; Brennan, James F., III; Dasari, Ramachandra R.; Wang, Yang

    1995-05-01

    Near infrared (NIR) Raman spectroscopy provides a powerful method for quantitative histochemistry of human tissue and disease diagnosis. The feasibility and potential of this technique for in situ histochemical analysis of human coronary artery has been demonstrated and presented in other reports from our laboratory. In this work, we review recent results obtained with the NIR Raman spectroscopy on a variety of tissue types studied at the MIT Laser Biomedical Research Center. We have collected NIR Raman spectra from colon, bladder, breast, and carotid artery. For colon, bladder and breast, consistent differences between carcinoma and normal tissue spectra were observed. For colon and bladder, the spectral differences appear to be due to an increased content of nucleic acid in carcinomas, while the spectral changes in malignant breast tissue are associated with an increase of protein content. Spectra from carotid artery have similar features as those from aorta and coronary arteries. We also show some preliminary results obtained with a NIR Raman microspectroscopy setup with 20 micron lateral resolution. The biochemical distributions for normal and diseased regions on the same tissue samples are observed. The potential of using this NIR Raman spectroscopy for detection and characterization of carcinoma and atherosclerosis, is discussed.

  9. High field electron paramagnetic resonance spectroscopy under ultrahigh vacuum conditions—A multipurpose machine to study paramagnetic species on well defined single crystal surfaces

    NASA Astrophysics Data System (ADS)

    Rocker, J.; Cornu, D.; Kieseritzky, E.; Seiler, A.; Bondarchuk, O.; Hänsel-Ziegler, W.; Risse, T.; Freund, H.-J.

    2014-08-01

    A new ultrahigh vacuum (UHV) electron paramagnetic resonance (EPR) spectrometer operating at 94 GHz to investigate paramagnetic centers on single crystal surfaces is described. It is particularly designed to study paramagnetic centers on well-defined model catalysts using epitaxial thin oxide films grown on metal single crystals. The EPR setup is based on a commercial Bruker E600 spectrometer, which is adapted to ultrahigh vacuum conditions using a home made Fabry Perot resonator. The key idea of the resonator is to use the planar metal single crystal required to grow the single crystalline oxide films as one of the mirrors of the resonator. EPR spectroscopy is solely sensitive to paramagnetic species, which are typically minority species in such a system. Hence, additional experimental characterization tools are required to allow for a comprehensive investigation of the surface. The apparatus includes a preparation chamber hosting equipment, which is required to prepare supported model catalysts. In addition, surface characterization tools such as low energy electron diffraction (LEED)/Auger spectroscopy, temperature programmed desorption (TPD), and infrared reflection absorption spectroscopy (IRAS) are available to characterize the surfaces. A second chamber used to perform EPR spectroscopy at 94 GHz has a room temperature scanning tunneling microscope attached to it, which allows for real space structural characterization. The heart of the UHV adaptation of the EPR experiment is the sealing of the Fabry-Perot resonator against atmosphere. To this end it is possible to use a thin sapphire window glued to the backside of the coupling orifice of the Fabry Perot resonator. With the help of a variety of stabilization measures reducing vibrations as well as thermal drift it is possible to accumulate data for a time span, which is for low temperature measurements only limited by the amount of liquid helium. Test measurements show that the system can detect paramagnetic

  10. High field electron paramagnetic resonance spectroscopy under ultrahigh vacuum conditions—A multipurpose machine to study paramagnetic species on well defined single crystal surfaces

    SciTech Connect

    Rocker, J.; Cornu, D.; Kieseritzky, E.; Hänsel-Ziegler, W.; Freund, H.-J.; Seiler, A.; Bondarchuk, O.

    2014-08-01

    A new ultrahigh vacuum (UHV) electron paramagnetic resonance (EPR) spectrometer operating at 94 GHz to investigate paramagnetic centers on single crystal surfaces is described. It is particularly designed to study paramagnetic centers on well-defined model catalysts using epitaxial thin oxide films grown on metal single crystals. The EPR setup is based on a commercial Bruker E600 spectrometer, which is adapted to ultrahigh vacuum conditions using a home made Fabry Perot resonator. The key idea of the resonator is to use the planar metal single crystal required to grow the single crystalline oxide films as one of the mirrors of the resonator. EPR spectroscopy is solely sensitive to paramagnetic species, which are typically minority species in such a system. Hence, additional experimental characterization tools are required to allow for a comprehensive investigation of the surface. The apparatus includes a preparation chamber hosting equipment, which is required to prepare supported model catalysts. In addition, surface characterization tools such as low energy electron diffraction (LEED)/Auger spectroscopy, temperature programmed desorption (TPD), and infrared reflection absorption spectroscopy (IRAS) are available to characterize the surfaces. A second chamber used to perform EPR spectroscopy at 94 GHz has a room temperature scanning tunneling microscope attached to it, which allows for real space structural characterization. The heart of the UHV adaptation of the EPR experiment is the sealing of the Fabry-Perot resonator against atmosphere. To this end it is possible to use a thin sapphire window glued to the backside of the coupling orifice of the Fabry Perot resonator. With the help of a variety of stabilization measures reducing vibrations as well as thermal drift it is possible to accumulate data for a time span, which is for low temperature measurements only limited by the amount of liquid helium. Test measurements show that the system can detect paramagnetic

  11. Characterization of deoxyribonucleic Acid species from castor bean endosperm: inability to detect a unique deoxyribonucleic Acid species associated with glyoxysomes.

    PubMed

    Douglass, S A; Criddle, R S; Breidenbach, R W

    1973-05-01

    Three DNA buoyant density species (nuclear, 1.692 g cm(-3); mitochondria 1.705 g cm(-3); and proplastid, 1.713 g cm(-3)) can be detected in extracts from castor bean endosperm. No other buoyant density species can be identified. DNA extracts from sucrose density gradient purified glyoxysomes exhibit varying amounts of each of the three identified DNAs but no other distinguishable DNA species. RNA synthesized in vitro by Escherichia coli RNA polymerase using purified castor bean nuclear DNA as a template, hybridizes equally well with its template and with the 1.692 g cm(-3) species from glyoxysome fractions. These results are discussed in terms of their relevance to microbody biogenesis.

  12. Differential detection of transposable elements between Saccharum species

    PubMed Central

    de Souza, Marislane Carvalho Paz; Silva, Jéssica Naiana; Almeida, Cícero

    2013-01-01

    Cultivars of sugarcane (Saccharum) are hybrids between species S. officinarum (x = 10, 2n = 8x = 80) and S. spontaneum (x = 8, 2n = 5 – 16x = 40 – 128). These accessions have 100 to 130 chromosomes, 80–85% of which are derived from S. officinarum, 10–15% from S. spontaneum, and 5–10% are possible recombinants between the two genomes. The aim of this study was to analyze the repetition of DNA sequences in S. officinarum and S. spontaneum. For this purpose, genomic DNA from S. officinarum was digested with restriction enzymes and the fragments cloned. Sixty-eight fragments, approximately 500 bp, were cloned, sequenced and had their identity analyzed in NCBI, and in the rice, maize, and sorghum genome databases using BLAST. Twelve clones containing partial transposable elements, one single-copy control, one DNA repetitive clone control and two genome controls were analyzed by DNA hybridization on membrane, using genomic probes from S. officinarum and S. spontaneum. The hybridization experiment revealed that six TEs had a similar repetitive DNA pattern in the genomes of S. officinarum and S. spontaneum, while six TEs were more abundant in the genome of S. officinarum. We concluded that the species S. officinarum and S. spontaneum have differential accumulation LTR retrotransposon families, suggesting distinct insertion or modification patterns. PMID:24130449

  13. Rapid detection of acetamiprid in foods using surface-enhanced Raman spectroscopy (SERS).

    PubMed

    Wijaya, Wisiani; Pang, Shintaro; Labuza, Theodore P; He, Lili

    2014-04-01

    Acetamiprid is a neonicotinoid pesticide that is commonly used in modern farming. Acetamiprid residue in food commodities can be a potential harm to human and has been implicated in the honey bee hive die off crisis. In this study, we developed rapid, simple, and sensitive methods to detect acetamiprid in apple juice and on apple surfaces using surface-enhanced Raman spectroscopy (SERS). No pretreatment of apple juice sample was performed. A simple surface swab method was used to recover acetamiprid from the apple surface. Samples were incubated with silver dendrites for several minutes and SERS spectra were taken directly from the silver surface. Detection of a set of 5 apple juice samples can be done within 10 min. The swab-SERS method took 15 min for a set of 5 samples. Resulting spectral data were analyzed using principal component analysis. The highest acetamiprid peak at 634 cm(-1) was used to detect and quantify the amount of acetamiprid spiked in 1:1 water-methanol solvent, apple juice, and on apple surface. The SERS method was able to successfully detect acetamiprid at 0.5 μg/mL (0.5 ppm) in solvent, 3 μg/mL (3 ppm) in apple juice, and 0.125 μg/cm(2) on apple surfaces. The SERS methods provide simple, rapid, and sensitive ways to detect acetamiprid in beverages and on the surfaces of thick skinned fruits and vegetables. PMID:24620941

  14. Detection of canine skin and subcutaneous tumors by visible and near-infrared diffuse reflectance spectroscopy

    NASA Astrophysics Data System (ADS)

    Cugmas, Blaž; Plavec, Tanja; Bregar, Maksimilijan; Naglič, Peter; Pernuš, Franjo; Likar, Boštjan; Bürmen, Miran

    2015-03-01

    Cancer is the main cause of canine morbidity and mortality. The existing evaluation of tumors requires an experienced veterinarian and usually includes invasive procedures (e.g., fine-needle aspiration) that can be unpleasant for the dog and the owner. We investigate visible and near-infrared diffuse reflectance spectroscopy (DRS) as a noninvasive optical technique for evaluation and detection of canine skin and subcutaneous tumors ex vivo and in vivo. The optical properties of tumors and skin were calculated in a spectrally constrained manner, using a lookup table-based inverse model. The obtained optical properties were analyzed and compared among different tumor groups. The calculated parameters of the absorption and reduced scattering coefficients were subsequently used for detection of malignant skin and subcutaneous tumors. The detection sensitivity and specificity of malignant tumors ex vivo were 90.0% and 73.5%, respectively, while corresponding detection sensitivity and specificity of malignant tumors in vivo were 88.4% and 54.6%, respectively. The obtained results show that the DRS is a promising noninvasive optical technique for detection and classification of malignant and benign canine skin and subcutaneous tumors. The method should be further investigated on tumors with common origin.

  15. DARK MATTER SUBSTRUCTURE DETECTION USING SPATIALLY RESOLVED SPECTROSCOPY OF LENSED DUSTY GALAXIES

    SciTech Connect

    Hezaveh, Yashar; Holder, Gilbert; Dalal, Neal; Kuhlen, Michael; Marrone, Daniel; Murray, Norman; Vieira, Joaquin

    2013-04-10

    We investigate how strong lensing of dusty, star-forming galaxies (DSFGs) by foreground galaxies can be used as a probe of dark matter halo substructure. We find that spatially resolved spectroscopy of lensed sources allows dramatic improvements to measurements of lens parameters. In particular, we find that modeling of the full, three-dimensional (angular position and radial velocity) data can significantly facilitate substructure detection, increasing the sensitivity of observables to lower mass subhalos. We carry out simulations of lensed dusty sources observed by early ALMA (Cycle 1) and use a Fisher matrix analysis to study the parameter degeneracies and mass detection limits of this method. We find that even with conservative assumptions, it is possible to detect galactic dark matter subhalos of {approx}10{sup 8} M{sub Sun} with high significance in most lensed DSFGs. Specifically, we find that in typical DSFG lenses, there is a {approx}55% probability of detecting a substructure with M > 10{sup 8} M{sub Sun} with more than 5{sigma} detection significance in each lens, if the abundance of substructure is consistent with previous lensing results. The full ALMA array, with its significantly enhanced sensitivity and resolution, should improve these estimates considerably. Given the sample of {approx}100 lenses provided by surveys such as the South Pole Telescope, our understanding of dark matter substructure in typical galaxy halos is poised to improve dramatically over the next few years.

  16. Sensitive detection of nucleic acids with rolling circle amplification and surface-enhanced Raman scattering spectroscopy.

    PubMed

    Hu, Juan; Zhang, Chun-yang

    2010-11-01

    Detection of specific DNA sequences is important to molecular biology research and clinical diagnostics. To improve the sensitivity of surface-enhanced Raman scattering spectroscopy (SERS), a variety of signal amplification methods has been developed, including Raman-active-dye, polymerase chain reaction (PCR) technology, molecular beacon, SERS-active substrates, and SERS-tag. However, the combination of rolling circle amplification (RCA) with SERS for nucleic acid detection has not been reported. Herein, we describe a new approach for nucleic acid detection by the combination of RCA reaction with SERS. Because of the binding of abundance repeated sequences of RCA products with gold nanoparticle (Au NP) and Rox-modified detection probes, SERS signal is significantly amplified and the detection limit of 10.0 pM might be achieved. The sensitivity of RCA-based SERS has increased by as much as 3 orders of magnitude as compared to PCR-based SERS and is also comparable with or even exceeds that of both RCA-based electrochemical and RCA-based fluorescent methods. This RCA-based SERS might discriminate perfect matched target DNA from 1-base mismatched DNA with high selectivity. The high sensitivity and selectivity of RCA-based SERS makes it a potential tool for early diagnosis of gene-related disease and also offers a great promise for multiplexed assays with DNA microarrays.

  17. Rapid Detection of Pathogenic Bacteria from Fresh Produce by Filtration and Surface-Enhanced Raman Spectroscopy

    NASA Astrophysics Data System (ADS)

    Wu, Xiaomeng; Han, Caiqin; Chen, Jing; Huang, Yao-Wen; Zhao, Yiping

    2016-04-01

    The detection of Salmonella Poona from cantaloupe cubes and E. coli O157:H7 from lettuce has been explored by using a filtration method and surface-enhanced Raman spectroscopy (SERS) based on vancomycin-functionalized silver nanorod array substrates. It is found that with a two-step filtration process, the limit of detection (LOD) of Salmonella Poona from cantaloupe cubes can be as low as 100 CFU/mL in less than 4 h, whereas the chlorophyll in the lettuce causes severe SERS spectral interference. To improve the LOD of lettuce, a three-step filtration method with a hydrophobic filter is proposed. The hydrophobic filter can effectively eliminate the interferences from chlorophyll and achieve a LOD of 1000 CFU/mL detection of E. coli O157:H7 from lettuce samples within 5 h. With the low LODs and rapid detection time, the SERS biosensing platform has demonstrated its potential as a rapid, simple, and inexpensive means for pathogenic bacteria detection from fresh produce.

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

    PubMed

    Kelly, J F Daniel; Downey, Gerard

    2005-05-01

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

  19. Serum albumin analysis for type II diabetes detection using surface-enhanced Raman spectroscopy

    NASA Astrophysics Data System (ADS)

    Lin, Jinyong; Cao, Gang; Lin, Juqiang; Liu, Nenrong; Liao, Fadian; Ruan, Qiuyong; Wu, Shanshan; Huang, Zufang; Li, Ling; Chen, Rong

    2014-09-01

    Surface-enhanced Raman scattering (SERS) spectroscopy combined with membrane electrophoresis (ME) was firstly employed to detect albumin variation in type II diabetic development. Albumin was first purified from human serum by ME and then mixed with silver nanoparticles to perform SERS spectral analysis. SERS spectra were obtained from blood albumin samples of 20 diabetic patients and 19 healthy volunteers. Subtle but discernible changes in the acquired mean spectra of the two groups were observed. Tentative assignment of albumin SERS bands indicated specific structural changes of albumin molecule with diabetic development. Meanwhile, PCA-LDA diagnostic algorithms were employed to classify the two kinds of albumin SERS spectra, yielding the diagnostic sensitivity of 90% and specificity of 94.7%. The results from this exploratory study demonstrated that the EM-SERS method in combination with multivariate statistical analysis has great potential for the label-free detection of albumin variation for improving type II diabetes screening.

  20. Saliva analysis combining membrane protein purification with surface-enhanced Raman spectroscopy for nasopharyngeal cancer detection

    NASA Astrophysics Data System (ADS)

    Feng, Shangyuan; Lin, Duo; Lin, Juqiang; Huang, Zufang; Chen, Guannan; Li, Yongzeng; Huang, Shaohua; Zhao, Jianhua; Chen, Rong; Zeng, Haishan

    2014-02-01

    A method for saliva analysis combining membrane protein purification with silver nanoparticle-based surface-enhanced Raman spectroscopy (SERS) for non-invasive nasopharyngeal cancer detection was present in this paper. In this method, cellulose acetate membrane was used to obtain purified whole proteins from human saliva while removing other native saliva constituents and exogenous substances. The purified proteins were mixed with silver nanoparticle for SERS analysis. A diagnostic accuracy of 90.2% can be achieved by principal components analysis combined with linear discriminate analysis, for saliva samples obtained from patients with nasopharyngeal cancer (n = 62) and healthy volunteers (n = 30). This exploratory study demonstrated the potential for developing non-invasive, rapid saliva SERS analysis for nasopharyngeal cancer detection.

  1. Dental caries detection by optical spectroscopy: a polarized Raman approach with fibre-optic coupling

    NASA Astrophysics Data System (ADS)

    Ko, A. C.-T.; Choo-Smith, L.-P.; Werner, J.; Hewko, M.; Sowa, M. G.; Dong, C.; Cleghorn, B.

    2006-09-01

    Incipient dental caries lesions appear as white spots on the tooth surface; however, accurate detection of early approximal lesions is difficult due to limited sensitivity of dental radiography and other traditional diagnostic tools. A new fibre-optic coupled spectroscopic method based on polarized Raman spectroscopy (P-RS) with near-IR laser excitation is introduced which provides contrast for detecting and characterizing incipient caries. Changes in polarized Raman spectra are observed in PO 4 3- vibrations arising from hydroxyapatite of mineralized tooth tissue. Demineralization-induced morphological/orientational alteration of enamel crystallites is believed to be responsible for the reduction of Raman polarization anisotropy observed in the polarized Raman spectra of caries lesions. Supporting evidence obtained by polarized Raman spectral imaging is presented. A specially designed fibre-optic coupled setup for simultaneous measurement of parallel- and cross-polarized tooth Raman spectra is demonstrated in this study.

  2. Evaluation of femtosecond laser-induced breakdown spectroscopy for explosive residue detection.

    PubMed

    De Lucia, Frank C; Gottfried, Jennifer L; Miziolek, Andrzej W

    2009-01-19

    Recently laser-induced breakdown spectroscopy (LIBS) has been investigated as a potential technique for trace explosive detection. Typically LIBS is performed using nanosecond laser pulses. For this work, we have investigated the use of femtosecond laser pulses for explosive residue detection at two different fluences. Femtosecond laser pulses have previously been shown to provide several advantages for laser ablation and other LIBS applications. We have collected LIBS spectra of several bulk explosives and explosive residues at different pulse durations and energies. In contrast to previous femtosecond LIBS spectra of explosives, we have observed atomic emission peaks for the constituent elements of explosives - carbon, hydrogen, nitrogen, and oxygen. Preliminary results indicate that several advantages attributed to femtosecond pulses are not realized at higher laser fluences.

  3. Density Detection of Aligned Nanowire Arrays Using Terahertz Time-Domain Spectroscopy

    NASA Astrophysics Data System (ADS)

    Xiang, Wenfeng; Wang, Xin; Liu, Yuan; Zhang, JiaQi; Zhao, Kun

    2016-07-01

    A rapid technique is necessary to quantitatively detect the density of nanowire (NW) and nanotube arrays in one-dimensional devices which have been identified as useful building blocks for nanoelectronics, optoelectronics, biomedical devices, etc. Terahertz (THz) time-domain spectroscopy was employed in this research to detect the density of aligned Ni NW arrays. The transmitted amplitude of THz peaks and optical thickness of NW arrays was found to be the effective parameters to analyze the density change of NW arrays. Owing to the low multiple scattering and high order of Ni NW arrays, a linear relationship was observed for the transmitted amplitude and optical thickness regarding NW density, respectively. Therefore, THz technique may be used as a promising tool to characterize the density of one-dimensional structures in the large-scale integrated nanodevice fabrication.

  4. Optically Detected Magnetic Resonance and Thermal Activation Spectroscopy Study of Organic Semiconductors

    SciTech Connect

    Chang-Hwan Kim

    2003-12-12

    Organic electronic materials are a new class of emerging materials. Organic light emitting devices (OLEDs) are the most promising candidates for future flat panel display technologies. The photophysical characterization is the basic research step one must follow to understand this new class of materials and devices. The light emission properties are closely related to the transport properties of these materials. The objective of this dissertation is to probe the relation between transport and photophysical properties of organic semiconductors. The transport characteristics were evaluated by using thermally stimulated current and thermally stimulated luminescence techniques. The photoluminescence detected magnetic resonance and photoluminescence quantum yield studies provide valuable photophysical information on this class of materials. OLEDs are already in the market. However, detailed studies on the degradation mechanisms are still lacking. Since both optically detected magnetic resonance and thermal activation spectroscopy probe long-lived defect-related states in organic semiconductors, the combined study generates new insight on the OLED operation and degradation mechanisms.

  5. Single-shot detection of bacterial endospores via coherent Raman spectroscopy

    PubMed Central

    Pestov, Dmitry; Wang, Xi; Ariunbold, Gombojav O.; Murawski, Robert K.; Sautenkov, Vladimir A.; Dogariu, Arthur; Sokolov, Alexei V.; Scully, Marlan O.

    2008-01-01

    Recent advances in coherent Raman spectroscopy hold exciting promise for many potential applications. For example, a technique, mitigating the nonresonant four-wave-mixing noise while maximizing the Raman-resonant signal, has been developed and applied to the problem of real-time detection of bacterial endospores. After a brief review of the technique essentials, we show how extensions of our earlier experimental work [Pestov D, et al. (2007) Science 316:265–268] yield single-shot identification of a small sample of Bacillus subtilis endospores (≈104 spores). The results convey the utility of the technique and its potential for “on-the-fly” detection of biohazards, such as Bacillus anthracis. The application of optimized coherent anti-Stokes Raman scattering scheme to problems requiring chemical specificity and short signal acquisition times is demonstrated. PMID:18184801

  6. Density Detection of Aligned Nanowire Arrays Using Terahertz Time-Domain Spectroscopy.

    PubMed

    Xiang, Wenfeng; Wang, Xin; Liu, Yuan; Zhang, JiaQi; Zhao, Kun

    2016-12-01

    A rapid technique is necessary to quantitatively detect the density of nanowire (NW) and nanotube arrays in one-dimensional devices which have been identified as useful building blocks for nanoelectronics, optoelectronics, biomedical devices, etc. Terahertz (THz) time-domain spectroscopy was employed in this research to detect the density of aligned Ni NW arrays. The transmitted amplitude of THz peaks and optical thickness of NW arrays was found to be the effective parameters to analyze the density change of NW arrays. Owing to the low multiple scattering and high order of Ni NW arrays, a linear relationship was observed for the transmitted amplitude and optical thickness regarding NW density, respectively. Therefore, THz technique may be used as a promising tool to characterize the density of one-dimensional structures in the large-scale integrated nanodevice fabrication.

  7. Optically multiplexed multi-gas detection using quantum cascade laser photoacoustic spectroscopy.

    PubMed

    Mukherjee, Anadi; Prasanna, Manu; Lane, Michael; Go, Rowel; Dunayevskiy, Ilya; Tsekoun, Alexei; Patel, C Kumar N

    2008-09-20

    We report high-throughput, nondispersive optical multiplexing of laser beams using a scanning galvanometer. We have utilized this technique for multispecies trace-gas detection using multiple quantum cascade laser photoacoustic spectroscopy. We demonstrate switching from one laser to another in less than 1 s, a performance level needed for a comprehensive multispecies sensor, and a high signal-to-noise ratio detection of five gaseous components, NH(3), NO(2), dimethyl methyl phosphonate (DMMP, a simulant for nerve agents), acetone, and ethylene glycol, in a room air gas mixture containing approximately 3 ppb of NH(3), approximately 8 ppb of NO(2), approximately 20 ppb of DMMP, approximately 30 ppb of acetone, and approximately 40 ppb of ethylene glycol.

  8. Optically multiplexed multi-gas detection using quantum cascade laser photoacoustic spectroscopy.

    PubMed

    Mukherjee, Anadi; Prasanna, Manu; Lane, Michael; Go, Rowel; Dunayevskiy, Ilya; Tsekoun, Alexei; Patel, C Kumar N

    2008-09-20

    We report high-throughput, nondispersive optical multiplexing of laser beams using a scanning galvanometer. We have utilized this technique for multispecies trace-gas detection using multiple quantum cascade laser photoacoustic spectroscopy. We demonstrate switching from one laser to another in less than 1 s, a performance level needed for a comprehensive multispecies sensor, and a high signal-to-noise ratio detection of five gaseous components, NH(3), NO(2), dimethyl methyl phosphonate (DMMP, a simulant for nerve agents), acetone, and ethylene glycol, in a room air gas mixture containing approximately 3 ppb of NH(3), approximately 8 ppb of NO(2), approximately 20 ppb of DMMP, approximately 30 ppb of acetone, and approximately 40 ppb of ethylene glycol. PMID:18806847

  9. Rapid detection of pesticide residue in apple based on Raman spectroscopy

    NASA Astrophysics Data System (ADS)

    Li, Yongyu; Sun, Yunyun; Peng, Yankun; Dhakal, Sagar; Chao, Kuanglin; Liu, Qiaoqiao

    2012-05-01

    The potential of Raman spectroscopy in the analysis of low concentration organic contaminants on apples' surface was evidenced in this study. Chlorpyrifos, an organophosphorus pesticide, was used as a probe for this purpose. The characteristic peaks of fingerprints of pesticide on an aluminum substrate and apple fruit cuticle without pesticide residue were acquired first. Then a concentration range of chlorpyrifos (commercial products at 40%) solutions were made using deionised and distilled water. Single 100 μL droplets of the chlorpyrifos solutions were placed gently on apple fruit cuticles and left to dry before analysis. Through comparative analysis of the Raman spectra data collected, 341, 632 and 1237cm-1 were identified to detect the chlorpyrifos pesticide residue on apple surface. Based on the relationship between the Raman intensity of the most prominent peak at around 632cm-1 and the pesticide concentrations, the limit of detection of ordinary Raman spectrum for chlorpyrifos was estimated to be 48ppm.

  10. Density Detection of Aligned Nanowire Arrays Using Terahertz Time-Domain Spectroscopy.

    PubMed

    Xiang, Wenfeng; Wang, Xin; Liu, Yuan; Zhang, JiaQi; Zhao, Kun

    2016-12-01

    A rapid technique is necessary to quantitatively detect the density of nanowire (NW) and nanotube arrays in one-dimensional devices which have been identified as useful building blocks for nanoelectronics, optoelectronics, biomedical devices, etc. Terahertz (THz) time-domain spectroscopy was employed in this research to detect the density of aligned Ni NW arrays. The transmitted amplitude of THz peaks and optical thickness of NW arrays was found to be the effective parameters to analyze the density change of NW arrays. Owing to the low multiple scattering and high order of Ni NW arrays, a linear relationship was observed for the transmitted amplitude and optical thickness regarding NW density, respectively. Therefore, THz technique may be used as a promising tool to characterize the density of one-dimensional structures in the large-scale integrated nanodevice fabrication. PMID:27431495

  11. Simultaneous in situ detection of atmospheric NO3 and N2O5 via cavity ring-down spectroscopy

    NASA Astrophysics Data System (ADS)

    Brown, Steven S.; Stark, Harald; Ciciora, Steven J.; McLaughlin, Richard J.; Ravishankara, A. R.

    2002-09-01

    This article describes the application of cavity ring-down spectroscopy (CaRDS) to the simultaneous concentration measurement of nitrate radical, NO3, and dinitrogen pentoxide, N2O5, in the ambient atmosphere. The sensitivity for detection of both NO3 and N2O5 is 0.5 pptv (2σ) for a 5 s integration, comparable to or better than previous measurements of NO3 (e.g., via DOAS), but with significantly better time resolution. Furthermore, direct measurement of N2O5 represent a previously unavailable capability. Concentrations of both species are measured simultaneously in two separate flow systems and optical cavities pumped by the same pulsed dye laser at 662 nm. One of the flow systems remains at ambient temperature for detection of NO3, while the other is heated to 80 °C to induce thermal decomposition of N2O5 providing a measurement of the sum of the NO3 and N2O5 concentrations. This article outlines a series of laboratory and field tests of the instrument's performance. Important considerations include signal acquisition, zero measurements, aerosol interference, flow system losses, and the conversion efficiency for N2O5 thermolysis to NO3. We describe the limitations of this method and show how they can be quantified and accounted for in field measurements.

  12. [Quantitative Approach to Melamine Detection in Egg White with Surface-Enhanced Raman Spectroscopy].

    PubMed

    Wang, Qiao-hua; Liu, Ya-li; Ma, Mei-hu; Wang, Hong

    2015-04-01

    Due to the harmfulness of melamine to human, the quantitative detection of melamine in egg is very necessary. In the present study, the surface enhanced Raman spectra technology combined with chemometric analysis method was used to conduct melamine quantitative detection in egg white. Firstly, the melamine egg sample could be got by the method of artificial feeding hens usingdifferent feeding formulation. Then the surface enhanced Raman spectra of egg white was determined using portable Raman spectroscopy (Opto Trace RamTracer-200) and Raman enhancement reagents, and the melamine content within the white eggs was measured with gas chromatography mass spectrometry technology. The software of Raman Analyzer was used for baseline correction of Raman spectra. The correlation coefficient method was used to choose 320 spectral variables from the surface enhanced Raman spectroscopy as input variables to establish partial least squares quantitative calibration model . And the peaks-decomposition method was used to establish peaks-decomposition quantitative calibration model. Both models selected 90 and 44 samples respectively as calibration sets and validation sets during model establishment, and both models achieved good prediction effect. The determination coefficient between predicted values of partial least squares quantitative calibration model and measured values of gas chromatography mass spectrometry was 0.856, and root mean square error of prediction was 1.547. The determination coefficient was 0.947 and RMSEP was 0.893 for the peaks-decomposition quantitative calibration model. This study demonstrated that the method can effectively quantitatively detect melamine in eggs. Testing a sample only takes 15 minutes, which can provide a new way for the melamine egg detection. PMID:26197575

  13. Raman spectroscopy and imaging to detect contaminants for food safety applications

    NASA Astrophysics Data System (ADS)

    Chao, Kuanglin; Qin, Jianwei; Kim, Moon S.; Peng, Yankun; Chan, Diane; Cheng, Yu-Che

    2013-05-01

    This study presents the use of Raman chemical imaging for the screening of dry milk powder for the presence of chemical contaminants and Raman spectroscopy for quantitative assessment of chemical contaminants in liquid milk. For image-based screening, melamine was mixed into dry milk at concentrations (w/w) between 0.2% and 10.0%, and images of the mixtures were analyzed by a spectral information divergence algorithm. Ammonium sulfate, dicyandiamide, and urea were each separately mixed into dry milk at concentrations (w/w) between 0.5% and 5.0%, and an algorithm based on self-modeling mixture analysis was applied to these sample images. The contaminants were successfully detected and the spatial distribution of the contaminants within the sample mixtures was visualized using these algorithms. Liquid milk mixtures were prepared with melamine at concentrations between 0.04% and 0.30%, with ammonium sulfate and with urea at concentrations between 0.1% and 10.0%, and with dicyandiamide at concentrations between 0.1% and 4.0%. Analysis of the Raman spectra from the liquid mixtures showed linear relationships between the Raman intensities and the chemical concentrations. Although further studies are necessary, Raman chemical imaging and spectroscopy show promise for use in detecting and evaluating contaminants in food ingredients.

  14. Micro-Raman spectroscopy Detects Individual Neoplastic and Normal Hematopoietic Cells

    SciTech Connect

    Chan, J W; Taylor, D; Zwerdling, T; Lane, S M; Ihara, K; Huser, T

    2005-01-18

    Current methods for identifying neoplastic cells and discerning them from their normal counterparts are often non-specific, slow, biologically perturbing, or a combination, thereof. Here, we show that single-cell micro-Raman spectroscopy averts these shortcomings and can be used to discriminate between unfixed normal human lymphocytes and transformed Jurkat and Raji lymphocyte cell lines based on their biomolecular Raman signatures. We demonstrate that single-cell Raman spectra provide a highly reproducible biomolecular fingerprint of each cell type. Characteristic peaks, mostly due to different DNA and protein concentrations, allow for discerning normal lymphocytes from transformed lymphocytes with high confidence (p << 0.05). Spectra are also compared and analyzed by principal component analysis (PCA) to demonstrate that normal and transformed cells form distinct clusters that can be defined using just two principal components. The method is shown to have a sensitivity of 98.3% for cancer detection, with 97.2% of the cells being correctly classified as belonging to the normal or transformed type. These results demonstrate the potential application of confocal micro-Raman spectroscopy as a clinical tool for single cell cancer detection based on intrinsic biomolecular signatures, therefore eliminating the need for exogenous fluorescent labeling.

  15. Rapid detection of talcum powder in tea using FT-IR spectroscopy coupled with chemometrics

    PubMed Central

    Li, Xiaoli; Zhang, Yuying; He, Yong

    2016-01-01

    This paper investigated the feasibility of Fourier transform infrared transmission (FT-IR) spectroscopy to detect talcum powder illegally added in tea based on chemometric methods. Firstly, 210 samples of tea powder with 13 dose levels of talcum powder were prepared for FT-IR spectra acquirement. In order to highlight the slight variations in FT-IR spectra, smoothing, normalize and standard normal variate (SNV) were employed to preprocess the raw spectra. Among them, SNV preprocessing had the best performance with high correlation of prediction (RP = 0.948) and low root mean square error of prediction (RMSEP = 0.108) of partial least squares (PLS) model. Then 18 characteristic wavenumbers were selected based on a hybrid of backward interval partial least squares (biPLS) regression, competitive adaptive reweighted sampling (CARS) algorithm and successive projections algorithm (SPA). These characteristic wavenumbers only accounted for 0.64% of the full wavenumbers. Following that, 18 characteristic wavenumbers were used to build linear and nonlinear determination models by PLS regression and extreme learning machine (ELM), respectively. The optimal model with RP = 0.963 and RMSEP = 0.137 was achieved by ELM algorithm. These results demonstrated that FT-IR spectroscopy with chemometrics could be used successfully to detect talcum powder in tea. PMID:27468701

  16. Nondestructive detection of lead chrome green in tea by Raman spectroscopy

    PubMed Central

    Li, Xiao-Li; Sun, Chan-Jun; Luo, Liu-Bin; He, Yong

    2015-01-01

    Raman spectroscopy was first adopted for rapid detecting a hazardous substance of lead chrome green in tea, which was illegally added to tea to disguise as high-quality. 160 samples of tea infusion with different concentrations of lead chrome green were prepared for Raman spectra acquirement in the range of 2804 cm−1–230 cm−1 and the spectral intensities were calibrated with relative intensity standards. Then wavelet transformation (WT) was adopted to extract information in different time and frequency domains from Raman spectra, and the low-frequency approximation signal (ca4) was proved as the most important information for establishment of lead chrome green measurement model, and the corresponding partial least squares (PLS) regression model obtained good performance in prediction with Rp and RMSEP of 0.936 and 0.803, respectively. To further explore the important wavenumbers closely related to lead chrome green, successive projections algorithm (SPA) was proposed. Finally, 8 characteristic wavenumbers closely related to lead chrome green were obtained and a more convenient and fast model was also developed. These results proved the feasibility of Raman spectroscopy for nondestructive detection of lead chrome green in tea quality control. PMID:26508516

  17. Towards a Low-Cost Mobile Subcutaneous Vein Detection Solution Using Near-Infrared Spectroscopy

    PubMed Central

    Flis, Vojko; Debevc, Matjaz; Holzinger, Andreas; Zalik, Borut

    2014-01-01

    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. PMID:24883388

  18. Nondestructive detection of lead chrome green in tea by Raman spectroscopy.

    PubMed

    Li, Xiao-Li; Sun, Chan-Jun; Luo, Liu-Bin; He, Yong

    2015-01-01

    Raman spectroscopy was first adopted for rapid detecting a hazardous substance of lead chrome green in tea, which was illegally added to tea to disguise as high-quality. 160 samples of tea infusion with different concentrations of lead chrome green were prepared for Raman spectra acquirement in the range of 2804 cm(-1)-230 cm(-1) and the spectral intensities were calibrated with relative intensity standards. Then wavelet transformation (WT) was adopted to extract information in different time and frequency domains from Raman spectra, and the low-frequency approximation signal (ca4) was proved as the most important information for establishment of lead chrome green measurement model, and the corresponding partial least squares (PLS) regression model obtained good performance in prediction with Rp and RMSEP of 0.936 and 0.803, respectively. To further explore the important wavenumbers closely related to lead chrome green, successive projections algorithm (SPA) was proposed. Finally, 8 characteristic wavenumbers closely related to lead chrome green were obtained and a more convenient and fast model was also developed. These results proved the feasibility of Raman spectroscopy for nondestructive detection of lead chrome green in tea quality control. PMID:26508516

  19. Detection of neuroinflammation through the retina by means of Raman spectroscopy and multivariate analysis

    NASA Astrophysics Data System (ADS)

    Marro, Monica; Taubes, Alice; Villoslada, Pablo; Petrov, Dmitri

    2012-06-01

    Retinal nervous tissue sustains a substantial damage during the autoimmune inflammatory processes characteristic for Multiple Sclerosis (MS). The damage can be characterized non-surgically by Raman Spectroscopy, a non-invasive optical imaging technology. We used non-resonant near-infrared Raman spectrosocopy to create a spectral library of eight pivotal biomolecules known to be involved in neuroinflammation: Nicotinamide Adenine Dinucliotide (NADH), Flavin Adenine Nucleotide (FAD), Lactate, Cytochrome C, Glutamate, N-Acetyl- Aspartate (NAA), Phosphotidylcholine, with Advanced Glycolization End Products (AGEs) analyzed as a reference. Principal Component Analysis (PCA) of 50 spectra taken of murine retinal tissue culture undergoing an inflammatory response and healthy controls was used in order to characterize the molecular makeup of the inflammation. The loading plots revealed a heavy influence of peaks related to Glutamate, NADH, and Phosphotidylcholine to inflammation-related spectral changes. Partial Least Squares - Discriminant analysis (PLS-DA) was performed to create a multivariate classifier for the spectral diagnosis of neuroinflammed tissue and yielded a diagnostic sensitivity of 100% and specificity of 100%. We demonstrate then the effectiveness of combining Raman spectroscopy with PCA and PLS-DA statistical techniques to detect and monitor neuroinflamation in retina. With this technique Glutamate, NAA and NADH are detected in retina tissue as signs for neuroinflammation.

  20. Rapid detection of talcum powder in tea using FT-IR spectroscopy coupled with chemometrics.

    PubMed

    Li, Xiaoli; Zhang, Yuying; He, Yong

    2016-01-01

    This paper investigated the feasibility of Fourier transform infrared transmission (FT-IR) spectroscopy to detect talcum powder illegally added in tea based on chemometric methods. Firstly, 210 samples of tea powder with 13 dose levels of talcum powder were prepared for FT-IR spectra acquirement. In order to highlight the slight variations in FT-IR spectra, smoothing, normalize and standard normal variate (SNV) were employed to preprocess the raw spectra. Among them, SNV preprocessing had the best performance with high correlation of prediction (RP = 0.948) and low root mean square error of prediction (RMSEP = 0.108) of partial least squares (PLS) model. Then 18 characteristic wavenumbers were selected based on a hybrid of backward interval partial least squares (biPLS) regression, competitive adaptive reweighted sampling (CARS) algorithm and successive projections algorithm (SPA). These characteristic wavenumbers only accounted for 0.64% of the full wavenumbers. Following that, 18 characteristic wavenumbers were used to build linear and nonlinear determination models by PLS regression and extreme learning machine (ELM), respectively. The optimal model with RP = 0.963 and RMSEP = 0.137 was achieved by ELM algorithm. These results demonstrated that FT-IR spectroscopy with chemometrics could be used successfully to detect talcum powder in tea. PMID:27468701

  1. Chemical and explosives point detection through opaque containers using spatially offset Raman spectroscopy (SORS)

    NASA Astrophysics Data System (ADS)

    Loeffen, Paul W.; Maskall, Guy; Bonthron, Stuart; Bloomfield, Matthew; Tombling, Craig; Matousek, Pavel

    2011-05-01

    Spatially Offset Raman Spectroscopy (SORS) is a novel technique used to identify the chemical Raman signature of threat materials within a few seconds through common non-metallic containers, including those containers which may not yield to inspection by conventional backscatter Raman. In particular, some opaque plastic containers and coloured glass bottles can be difficult to analyze using conventional backscatter Raman because the signal from the contents is often overwhelmed by the much stronger Raman signal and/or fluorescence originating from the container itself. SORS overcomes these difficulties and generates clean Raman spectra from both the container and the contents with no prior knowledge of either. This is achieved by making two, or more, Raman measurements at various offsets between the collection and illumination areas, each containing different proportions of the fingerprint signals from the container and content materials. Using scaled subtraction, or multivariate statistical methods, the two orthogonal signals can be separated numerically, thereby providing a clean Raman spectrum of the contents without contamination from the container. Consequently, SORS promises to significantly improve threat detection capability and decrease the falsealarm rate compared with conventional Raman spectroscopy making it considerably more suitable as an alarm resolution methodology (e.g. at airports). In this paper, the technique and method are described and a study of offset value optimization is described illustrating the difference between one and two fixed spatial offsets. It is concluded that two fixed offsets yield an improvement in the SORS measurement which will help maximize the threat detection capability.

  2. Towards a low-cost mobile subcutaneous vein detection solution using near-infrared spectroscopy.

    PubMed

    Juric, Simon; Flis, Vojko; Debevc, Matjaz; Holzinger, Andreas; Zalik, Borut

    2014-01-01

    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.

  3. Aptamer-based biosensor for label-free detection of ethanolamine by electrochemical impedance spectroscopy.

    PubMed

    Liang, Gang; Man, Yan; Jin, Xinxin; Pan, Ligang; Liu, Xinhui

    2016-09-14

    A label-free sensing assay for ethanolamine (EA) detection based on G-quadruplex-EA binding interaction is presented by using G-rich aptamer DNA (Ap-DNA) and electrochemical impedance spectroscopy (EIS). The presence of K(+) induces the Ap-DNA to form a K(+)-stabilized G-quadruplex structure which provides binding sites for EA. The sensing mechanism was further confirmed by circular dichroism (CD) spectroscopy and EIS measurement. As a result, the charge transfer resistance (RCT) is strongly increased as demonstrated by using the ferro/ferricyanide ([Fe(CN)6](3-/4-)) as a redox probe. Under the optimized conditions, a linear relationship between ΔRCT and EA concentration was obtained over the range of 0.16 nM and 16 nM EA, with a detection limit of 0.08 nM. Interference by other selected chemicals with similar structure was negligible. Analytical results of EA spiked into tap water and serum by the sensor suggested the assay could be successfully applied to real sample analysis. With the advantages of high sensitivity, selectivity and simple sensor construction, this method is potentially suitable for the on-site monitoring of EA contamination.

  4. Rapid detection of talcum powder in tea using FT-IR spectroscopy coupled with chemometrics.

    PubMed

    Li, Xiaoli; Zhang, Yuying; He, Yong

    2016-07-29

    This paper investigated the feasibility of Fourier transform infrared transmission (FT-IR) spectroscopy to detect talcum powder illegally added in tea based on chemometric methods. Firstly, 210 samples of tea powder with 13 dose levels of talcum powder were prepared for FT-IR spectra acquirement. In order to highlight the slight variations in FT-IR spectra, smoothing, normalize and standard normal variate (SNV) were employed to preprocess the raw spectra. Among them, SNV preprocessing had the best performance with high correlation of prediction (RP = 0.948) and low root mean square error of prediction (RMSEP = 0.108) of partial least squares (PLS) model. Then 18 characteristic wavenumbers were selected based on a hybrid of backward interval partial least squares (biPLS) regression, competitive adaptive reweighted sampling (CARS) algorithm and successive projections algorithm (SPA). These characteristic wavenumbers only accounted for 0.64% of the full wavenumbers. Following that, 18 characteristic wavenumbers were used to build linear and nonlinear determination models by PLS regression and extreme learning machine (ELM), respectively. The optimal model with RP = 0.963 and RMSEP = 0.137 was achieved by ELM algorithm. These results demonstrated that FT-IR spectroscopy with chemometrics could be used successfully to detect talcum powder in tea.

  5. Feasibility of surface-enhanced Raman spectroscopy for rapid detection of aflatoxins in maize.

    PubMed

    Lee, Kyung-Min; Herrman, Timothy J; Bisrat, Yordanos; Murray, Seth C

    2014-05-14

    Rapid and sensitive surface-enhanced Raman spectroscopy (SERS) for aflatoxin detection was employed for development of the models to classify and quantify aflatoxin levels in maize at concentrations of 0 to 1,206 μg/kg. Highly effective SERS substrate (Ag nanosphere) was prepared and mixed with a sample extract for SERS measurement. Strong Raman bands associated with aflatoxins and changes in maize kernels induced by aflatoxin contamination were observed in different SERS spectroscopic regions. The k-nearest neighbors (KNN) classification model yielded high classification accuracy and lower prediction error with no misclassification of contaminated samples as aflatoxin negative. The multiple linear regression (MLR) models showed a higher predictive accuracy with stronger correlation coefficients (r = 0.939-0.967) and a higher sensitivity with lower limits of detection (13-36 μg/kg) and quantitation (44-121 μg/kg) over other quantification models. Paired sample t test exhibited no statistically significant difference between the reference values and the predicted values of SERS in most chemometric models. The proposed SERS method would be a more effective and efficient analytical tool with a higher accuracy and lower constraints for aflatoxin analysis in maize compared to other existing spectroscopic methods and conventional Raman spectroscopy.

  6. Ultra-Responsive Thermal Sensors for the Detection of Explosives Using Calorimetric Spectroscopy (CalSpec)

    SciTech Connect

    Datskos, P.G.; Datskou, I.; Marlar, T.A.; Rajic, S.

    1999-04-05

    We have developed a novel chemical detection technique based on infrared micro-calorimetric spectroscopy that can be used to identify the presence of trace amounts of very low vapor pressure target compounds. Unlike numerous recently developed low-cost sensor approaches, the selectivity is derived from the unique differential temperature spectrum and does not require the questionable reliability of highly selective coatings to achieve the required specificity. This is accomplished by obtaining the infrared micro-calorimetric absorption spectrum of a small number of molecules absorbed on the surface of a thermal detector after illumination through a scanning monochromator. We have obtained infrared micro-calorimetric spectra for explosives such as TNT over the wavelength region 2.5 to 14.5 Mu-m. Thus both sophisticated and relatively crude explosive compounds and components are detectable with these ultra-sensitive thermal-mechanical micro-structures. In addition to the above mentioned spectroscopy technique and associated data, the development of these advanced thermal detectors is also presented in detail.

  7. Radiocarbon dioxide detection based on cavity ring-down spectroscopy and a quantum cascade laser.

    PubMed

    Genoud, G; Vainio, M; Phillips, H; Dean, J; Merimaa, M

    2015-04-01

    Monitoring of radiocarbon (C14) in carbon dioxide is demonstrated using mid-infrared spectroscopy and a quantum cascade laser. The measurement is based on cavity ring-down spectroscopy, and a high sensitivity is achieved with a simple setup. The instrument was tested using a standardized sample containing elevated levels of radiocarbon. Radiocarbon dioxide could be detected from samples with an isotopic ratio C14/C as low as 50 parts-per-trillion, corresponding to an activity of 5  kBq/m(3) in pure CO(2), or 2  Bq/m(3) in air after extraction of the CO(2) from an air sample. The instrument is simple, compact, and robust, making it the ideal tool for on-site measurements. It is aimed for monitoring radioactive gaseous emissions in a nuclear power environment, during the operation and decommissioning of nuclear power plants. Its high sensitivity also makes it the ideal tool for the detection of leaks in radioactive waste repositories. PMID:25831328

  8. Aptamer-based biosensor for label-free detection of ethanolamine by electrochemical impedance spectroscopy.

    PubMed

    Liang, Gang; Man, Yan; Jin, Xinxin; Pan, Ligang; Liu, Xinhui

    2016-09-14

    A label-free sensing assay for ethanolamine (EA) detection based on G-quadruplex-EA binding interaction is presented by using G-rich aptamer DNA (Ap-DNA) and electrochemical impedance spectroscopy (EIS). The presence of K(+) induces the Ap-DNA to form a K(+)-stabilized G-quadruplex structure which provides binding sites for EA. The sensing mechanism was further confirmed by circular dichroism (CD) spectroscopy and EIS measurement. As a result, the charge transfer resistance (RCT) is strongly increased as demonstrated by using the ferro/ferricyanide ([Fe(CN)6](3-/4-)) as a redox probe. Under the optimized conditions, a linear relationship between ΔRCT and EA concentration was obtained over the range of 0.16 nM and 16 nM EA, with a detection limit of 0.08 nM. Interference by other selected chemicals with similar structure was negligible. Analytical results of EA spiked into tap water and serum by the sensor suggested the assay could be successfully applied to real sample analysis. With the advantages of high sensitivity, selectivity and simple sensor construction, this method is potentially suitable for the on-site monitoring of EA contamination. PMID:27566359

  9. Feasibility of using terahertz spectroscopy to detect seven different pesticides in wheat flour.

    PubMed

    Maeng, Inhee; Baek, Seung Hyun; Kim, Hwa Yeon; Ok, Gyeong-Sik; Choi, Sung-Wook; Chun, Hyang Sook

    2014-12-01

    This study investigated the feasibility of detecting pesticides using terahertz (THz) spectroscopy in high-density polyethylene and/or wheat flour mixtures. The absorption spectra of seven pesticides (dicofol, chlorpyrifos, chlorpyrifos-methyl, daminozide, imidacloprid, diethyldithiocarbamate, and dimethyldithiocarbamate) were measured in the frequency range 0.1 to 3 THz at room temperature. Five of the seven pesticides exhibited specific absorption peaks in the low-energy THz range. The two remaining pesticides had no specific absorption peaks in this frequency range, but they exhibited different frequency-dependent refractive indices. The absorption coefficients of imidacloprid increased with its increasing weight ratio in high-density polyethylene, and the fitted power absorptions and refractive indices using a Maxwell-Garnett effective medium model were comparable to the measured data. Imidacloprid was also identified from its characteristic absorption peaks in wheat flour mixtures, and a linear relationship between the absorption coefficient and the weight ratio was observed. Our results show the potential of detection of selected pesticides in foods, such as wheat flour, using THz spectroscopy. PMID:25474054

  10. Ultrasensitive, real-time trace gas detection using a high-power, multimode diode laser and cavity ringdown spectroscopy.

    PubMed

    Karpf, Andreas; Qiao, Yuhao; Rao, Gottipaty N

    2016-06-01

    We present a simplified cavity ringdown (CRD) trace gas detection technique that is insensitive to vibration, and capable of extremely sensitive, real-time absorption measurements. A high-power, multimode Fabry-Perot (FP) diode laser with a broad wavelength range (Δλlaser∼0.6  nm) is used to excite a large number of cavity modes, thereby reducing the detector's susceptibility to vibration and making it well suited for field deployment. When detecting molecular species with broad absorption features (Δλabsorption≫Δλlaser), the laser's broad linewidth removes the need for precision wavelength stabilization. The laser's power and broad linewidth allow the use of on-axis cavity alignment, improving the signal-to-noise ratio while maintaining its vibration insensitivity. The use of an FP diode laser has the added advantages of being inexpensive, compact, and insensitive to vibration. The technique was demonstrated using a 1.1 W (λ=400  nm) diode laser to measure low concentrations of nitrogen dioxide (NO2) in zero air. A sensitivity of 38 parts in 1012 (ppt) was achieved using an integration time of 128 ms; for single-shot detection, 530 ppt sensitivity was demonstrated with a measurement time of 60 μs, which opens the door to sensitive measurements with extremely high temporal resolution; to the best of our knowledge, these are the highest speed measurements of NO2 concentration using CRD spectroscopy. The reduced susceptibility to vibration was demonstrated by introducing small vibrations into the apparatus and observing that there was no measurable effect on the sensitivity of detection. PMID:27411209

  11. Detection of four important Eimeria species by multiplex PCR in a single assay.

    PubMed

    You, Myung-Jo

    2014-06-01

    The oocysts of some of the recognized species of chicken coccidiosis are difficult to distinguish morphologically. Diagnostic laboratories are increasingly utilizing DNA-based technologies for the specific identification of Eimeria species. This study reports a multiplex polymerase chain reaction (PCR) assay based on internal transcribed spacer-1 (ITS-1) for the simultaneous diagnosis of the Eimeria tenella, Eimeria acervulina, Eimeria maxima, and Eimeria necatrix species, which infect domestic fowl. Primer pairs specific to each species were designed in order to generate a ladder of amplification products ranging from 20 to 25 bp, and a common optimum annealing temperature for these species was determined to be 52.5 °C. Sensitivity tests were performed for each species, showing a detection threshold of 1-5 pg. All the species were amplified homogeneously, and a homogenous band ladder was observed, indicating that the assay permitted the simultaneous detection of all the species in a single-tube reaction. In the phylogenic study, there was a clear species clustering, which was irrespective of geographical location, for all the ITS-1 sequences used. This multiplex PCR assay represents a rapid and potential cost-effective diagnostic method for the detection of some key Eimeria species that infect domestic fowl.

  12. Chemometric Analysis of Multiple Species of Bacillus Bacterial Endospores Using Infrared Spectroscopy: Discrimination to the Strain Level

    SciTech Connect

    Forrester, Joel B.; Valentine, Nancy B.; Su, Yin-Fong; Johnson, Timothy J.

    2009-09-28

    Previous work using infrared spectroscopy has shown potential for rapid discrimination between bacteria in either their sporulated or vegetative states, as well as between bacteria and other common interferents. For species within one physiological state, however, distinction is far more challenging, and requires chemometrics. In the current study, we have narrowed the field of study by eliminating the confounding issues of vegetative cells as well as growth media and focused on using IR spectra to distinguish between different species all in the sporulated state. Using principal component analysis (PCA) and a classification method based upon similarity measurements, we demonstrate a successful identification rate to the species level of 85% for Bacillus spores grown and sporulated in a glucose broth medium.

  13. Cavity Ringdown Spectroscopy and Kinetics of Butoxy Isomerization: Detection of the {A}- {XCAVITY Ringdown Spectroscopy and Kinetics of Butoxy Isomerization: Detection of the {A}- {X

    NASA Astrophysics Data System (ADS)

    Sprague, Matthew K.; Okumura, Mitchio; Sander, Stanley P.

    2011-06-01

    Alkoxy radicals are atmospherically important species, playing a direct role in the HO_x and NO_x cycles that affect tropospheric air pollution. Alkoxy radicals that can form a six membered transition state can isomerize into a hydroxyalkyl radical. In the presence of O_2, a rapid association reaction occurs, forming a hydroxyalkylperoxy radical. The n-butoxy radical is the smallest alkoxy to undergo isomerization, forming the γ-hydroxybutylperoxy radical (HOC_4H_8OO). Direct detection of HOC_4H_8OO opens the door to measuring alkoxy reaction kinetics with higher precision than previous end product studies. In this talk, we report the first detection of the tilde{A}-tilde{X} electronic spectrum of the HOC_4H_8OO radical. The spectrum is similar in shape to the tilde{A}-tilde{X} spectrum of n-butyl peroxy: a broad spectroscopic band due to the multiple molecular conformers that are present. We also use the tilde{A}-tilde{X} band to measure the alkoxy isomerization kinetics relative to the alkoxy radical's reaction with O_2, similar to the previous kinetics studies. R. Atkinson, D. L. Baulch, R. A. Cox, J. N. Crowley, R. F. Hampson, R. G. Hynes, M. E. Jenkin, M. J. Rossi, and J. Troe J. Atmos. Chem. and Phys. 2006, 6, 3625. B. G. Glover and T. A. Miller. J. Phys. Chem. A 2005, 109, 11191.

  14. Feasibility of Valence-to-Core X-ray Emission Spectroscopy for Tracking Transient Species

    PubMed Central

    2015-01-01

    X-ray spectroscopies, when combined in laser-pump, X-ray-probe measurement schemes, can be powerful tools for tracking the electronic and geometric structural changes that occur during the course of a photoinitiated chemical reaction. X-ray absorption spectroscopy (XAS) is considered an established technique for such measurements, and X-ray emission spectroscopy (XES) of the strongest core-to-core emission lines (Kα and Kβ) is now being utilized. Flux demanding valence-to-core XES promises to be an important addition to the time-resolved spectroscopic toolkit. In this paper we present measurements and density functional theory calculations on laser-excited, solution-phase ferrocyanide that demonstrate the feasibility of valence-to-core XES for time-resolved experiments. We discuss technical improvements that will make valence-to-core XES a practical pump–probe technique. PMID:26568779

  15. Novel Flaviviruses Detected in Different Species of Mosquitoes in Spain

    PubMed Central

    Sánchez-Seco, María-Paz; Palacios, Gustavo; Molero, Francisca; Reyes, Noelia; Ruiz, Santiago; Aranda, Carles; Marqués, Eduard; Escosa, Raul; Moreno, Juana; Figuerola, Jordi; Tenorio, Antonio

    2012-01-01

    Abstract We report the characterization of three novel flaviviruses isolated in Spain. Marisma Mosquito virus, a novel mosquito borne virus, was isolated from Ochlerotatus caspius mosquitoes; Spanish Ochlerotatus flavivirus and Spanish Culex flavivirus, two novel insect flaviviruses, were isolated from Oc. caspius and Culex pipiens, respectively. During this investigation, we designed a sensitive RT-nested polymerase chain reaction method that amplifies a 1019bp fragment of the flavivirus NS5 gene and could be directly used in clinical or environmental samples for flavivirus characterization and surveillance. Analysis of the sequence generated from that amplicon contains enough phylogenetic information for proper taxonomic studies. Moreover, the use of this tool allowed the detection of additional flavivirus DNA forms in Culex, Culiseta, and Ochlerotatus mosquitoes. PMID:22022811

  16. A reusable sensor for the label-free detection of specific oligonucleotides by surface plasmon fluorescence spectroscopy.

    PubMed

    Nöll, Gilbert; Su, Qiang; Heidel, Björn; Yu, Yaming

    2014-01-01

    The development of a reusable molecular beacon (MB)-based sensor for the label-free detection of specific oligonucleotides using surface plasmon fluorescence spectroscopy (SPFS) as the readout method is described. The MBs are chemisorbed at planar gold surfaces serving as fluorescence quenching units. Target oligonucleotides of 24 bases can be detected within a few minutes at high single-mismatch discrimination rates.

  17. Detection of carcinogenic metals in kidney stones using ultraviolet laser-induced breakdown spectroscopy.

    PubMed

    Khalil, Ahmed Asaad I; Gondal, Mohammed A; Shemis, Mohamed; Khan, Irfan S

    2015-03-10

    The UV single-pulsed (SP) laser-induced breakdown spectroscopy (LIBS) system was developed to detect the carcinogenic metals in human kidney stones extracted through the surgical operation. A neodymium yttrium aluminium garnet laser operating at 266 nm wavelength and 20 Hz repetition rate along with a spectrometer interfaced with an intensified CCD (ICCD) was applied for spectral analysis of kidney stones. The ICCD camera shutter was synchronized with the laser-trigger pulse and the effect of laser energy and delay time on LIBS signal intensity was investigated. The experimental parameters were optimized to obtain the LIBS plasma in local thermodynamic equilibrium. Laser energy was varied from 25 to 50 mJ in order to enhance the LIBS signal intensity and attain the best signal to noise ratio. The parametric dependence studies were important to improve the limit of detection of trace amounts of toxic elements present inside stones. The carcinogenic metals detected in kidney stones were chromium, cadmium, lead, zinc, phosphate, and vanadium. The results achieved from LIBS system were also compared with the inductively coupled plasma-mass spectrometry analysis and the concentration detected with both techniques was in very good agreement. The plasma parameters (electron temperature and density) for SP-LIBS system were also studied and their dependence on incident laser energy and delay time was investigated as well. PMID:25968393

  18. Temperature and pressure measurement based on tunable diode laser absorption spectroscopy with gas absorption linewidth detection

    NASA Astrophysics Data System (ADS)

    Meng, Yunxia; Liu, Tiegen; Liu, Kun; Jiang, Junfeng; Wang, Tao; Wang, Ranran

    2014-11-01

    A gas temperature and pressure measurement method based on Tunable Diode Laser Absorption Spectroscopy (TDLAS) detecting linewidth of gas absorption line was proposed in this paper. Combined with Lambert-Beer Law and ideal gas law, the relationship between temperature, pressure and gas linewidth with Lorentzian line shape was investigated in theory. Taking carbon monoxide (CO) at 1567.32 nm for example, the linewidths of gas absorption line in different temperatures and pressures were obtained by simulation. The relationship between the linewidth of second harmonic and temperature, pressure with the coefficient 0.025 pm/K and 0.0645 pm/kPa respectively. According to the relationship of simulation results and detected linewidth, the undefined temperature and pressure of CO gas were measured. The gas temperature and pressure measurement based on linewidth detection, avoiding the influence of laser intensity, is an effective temperature and pressure measurement method. This method also has the ability to detect temperature and pressure of other gases with Lorentzian line shape.

  19. Detection of carcinogenic metals in kidney stones using ultraviolet laser-induced breakdown spectroscopy.

    PubMed

    Khalil, Ahmed Asaad I; Gondal, Mohammed A; Shemis, Mohamed; Khan, Irfan S

    2015-03-10

    The UV single-pulsed (SP) laser-induced breakdown spectroscopy (LIBS) system was developed to detect the carcinogenic metals in human kidney stones extracted through the surgical operation. A neodymium yttrium aluminium garnet laser operating at 266 nm wavelength and 20 Hz repetition rate along with a spectrometer interfaced with an intensified CCD (ICCD) was applied for spectral analysis of kidney stones. The ICCD camera shutter was synchronized with the laser-trigger pulse and the effect of laser energy and delay time on LIBS signal intensity was investigated. The experimental parameters were optimized to obtain the LIBS plasma in local thermodynamic equilibrium. Laser energy was varied from 25 to 50 mJ in order to enhance the LIBS signal intensity and attain the best signal to noise ratio. The parametric dependence studies were important to improve the limit of detection of trace amounts of toxic elements present inside stones. The carcinogenic metals detected in kidney stones were chromium, cadmium, lead, zinc, phosphate, and vanadium. The results achieved from LIBS system were also compared with the inductively coupled plasma-mass spectrometry analysis and the concentration detected with both techniques was in very good agreement. The plasma parameters (electron temperature and density) for SP-LIBS system were also studied and their dependence on incident laser energy and delay time was investigated as well.

  20. Detection of apple juice adulteration using near-infrared transflectance spectroscopy.

    PubMed

    León, Lorenzo; Kelly, J Daniel; Downey, Gerard

    2005-05-01

    Near-infrared transflectance spectroscopy was used to detect adulteration of apple juice samples. A total of 150 apple samples from 19 different varieties were collected in two consecutive years from orchards throughout the main cultivation areas in Ireland. Adulterant samples at 10, 20, 30, and 40% w/w were prepared using two types of adulterants: a high fructose corn syrup (HFCS) with 45% fructose and 55% glucose, and a sugars solution (SUGARS) made with 60% fructose, 25% glucose, and 15% sucrose (the average content of these sugars in apple juice). The results show that NIR analysis can be used to predict adulteration of apple juices by added sugars with a detection limit of 9.5% for samples adulterated with HFCS, 18.5% for samples adulterated with SUGARS, and 17% for the combined (HFCS + SUGARS) adulterants. Discriminant partial least squares (PLS) regression can detect authentic apple juice with an accuracy of 86-100% and adulterant apple juice with an accuracy of 91-100% depending on the adulterant type and level of adulteration considered. This method could provide a rapid screening technique for the detection of this type of apple juice adulteration, although further work is required to demonstrate model robustness.