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Sample records for atr-ftir spectroscopy detects

  1. Nanocrystalline diamond sensor targeted for selective CRP detection: an ATR-FTIR spectroscopy study.

    Science.gov (United States)

    Andersson, Per Ola; Viberg, Pernilla; Forsberg, Pontus; Nikolajeff, Fredrik; Österlund, Lars; Karlsson, Mikael

    2016-05-01

    Protein immobilization on functionalized fluorine-terminated nanocrystalline (NCD) films was studied by attenuated total reflection Fourier transform infrared (ATR-FTIR) spectroscopy using an immobilization protocol developed to specifically bind C-reactive protein (CRP). Using an ATR-FTIR spectroscopy method employing a force-controlled anvil-type configuration, three critical steps of the ex situ CRP immobilization were analyzed. First, the NCD surface was passivated by deposition of a copolymer layer consisting of polyethylene oxide and polypropylene oxide. Second, a synthetic modified polypeptide binder with high affinity to CRP was covalently attached to the polymeric film. Third, CRP dissolved in aqueous buffer in concentrations of 10-20 μg/mL was added on the functionalized NCD surface. Both the amide I and II bands, due to the polypeptide binder and CRP, were clearly observed in ATR-FTIR spectra. CRP amide I bands were extracted from difference spectra and yielded bands that agreed well with the reported amide I band of free (non-bonded) CRP in solution. Thus, our results show that CRP retains its secondary structure when it is attached to the polypeptide binders. Compared to previous IR studies of CRP in solution, about 200 times lower concentration was applied in the present study. Graphical Abstract Direct non-destructive ATR-FTIR analysis of C-reactive protein (CRP) selectively bound to functionalized nanocrystalline diamond (NCD) sensor surface. PMID:27007740

  2. Preliminary Discrimination of Butter Adulteration by ATR-FTIR Spectroscopy

    Directory of Open Access Journals (Sweden)

    Lucian Cuibus

    2015-05-01

    Full Text Available The Attenuated Total Reflectance-Fourier Transform Infrared Spectroscopy (ATR-FTIR  was applied for the discrimination of butter samples adulterated with solid fraction of palm oil. For FTIR fingerprinting of butter samples, with or without controlled additions of palm oil as adulterant was firstly obtained, using a Shimatsu Prestige 21 Spectrophotometer, including a horizontal diamond ATR accessory with reflection in the MIR region (3873-690 cm-1.The spiked butter samples including 0 level and seven increasing concentrations of palm fats, up to 50% were fingerprinted and the calibration curve was obtained (n=19. In parallel, the validation was realized using different set of spiked butter samples ranging 1-44.4 % of palm fat (n=7. Finally, an independent set of commercial samples was analized (n=14.Partial least squares (PLS model was used for statistical data processing in accordance with standard method. The value of the correlation coefficient (R2= 0.977 between actual and predicted values was statistically significant (p<0.001, considering the superposition of  "actual vs predicted” curves. This combined FTIR-PLS evaluation revealed that 3 out of  samples of butter were suspected of adulteration with palm oil, presented values 14 ranging 4-12%.In conclusion, ATR-FTIR methodology may offer an rapid evaluation of  butter samples authenticity. The low value for detection limit (3%palm oil in butter and the low limit of quantification (9.8% palm oil in butter confirms that ATR-FTIR spectroscopy  is a sensitive method to identify the adulteration of butter with  palm oil.   

  3. Detection and quantification of soymilk in cow-buffalo milk using Attenuated Total Reflectance Fourier Transform Infrared spectroscopy (ATR-FTIR).

    Science.gov (United States)

    Jaiswal, Pranita; Jha, Shyam Narayan; Borah, Anjan; Gautam, Anuj; Grewal, Manpreet Kaur; Jindal, Gaurav

    2015-02-01

    Milk consumption is steadily increasing, especially in India and China, due to rising income. To bridge the gap between supply and demand, unscrupulous milk vendors add milk-like products from vegetable sources (soymilk) to milk without declaration. A rapid detection technique is required to enforce the safety norms of food regulatory authorities. Fourier Transform Infrared (FTIR) spectroscopy has demonstrated potential as a rapid quality monitoring method and was therefore explored for detection of soymilk in milk. In the present work, spectra of milk, soymilk (SM), and milk adulterated with known quantity of SM were acquired in the wave number range of 4000-500cm(-1) using Attenuated Total Reflectance (ATR)-FTIR. The acquired spectra revealed differences amongst milk, SM and adulterated milk (AM) samples in the wave number range of 1680-1058cm(-1). This region encompasses the absorption frequency of amide-I, amide-II, amide-III, beta-sheet protein, α-tocopherol and Soybean Kunitz Trypsin Inhibitor. Principal component analysis (PCA) showed clustering of samples based on SM concentration at 5% level of significance and thus SM could be detected in milk using ATR-FTIR. The SM was best predicted in the range of 1472-1241cm(-1) using multiple linear regression with coefficient of determination (R(2)) of 0.99 and 0.92 for calibration and validation, respectively. PMID:25172681

  4. Preliminary Discrimination of Butter Adulteration by ATR-FTIR Spectroscopy

    OpenAIRE

    Lucian Cuibus; Rubén Maggio; Vlad Mureșan; Zorița Diaconeasa; Oana Lelia Pop; Carmen Socaciu

    2015-01-01

    The Attenuated Total Reflectance-Fourier Transform Infrared Spectroscopy (ATR-FTIR)  was applied for the discrimination of butter samples adulterated with solid fraction of palm oil. For FTIR fingerprinting of butter samples, with or without controlled additions of palm oil as adulterant was firstly obtained, using a Shimatsu Prestige 21 Spectrophotometer, including a horizontal diamond ATR accessory with reflection in the MIR region (3873-690) cm-1.The spiked butter samples including 0 level...

  5. ATR-FTIR spectroscopy detects alterations induced by organotin(IV) carboxylates in MCF-7 cells at sub-cytotoxic/-genotoxic concentrations

    CERN Document Server

    Ahmad, Muhammad S; Hussain, Mukhtiar; Hanif, Muhammad; Ali, Saqib; Walsh, Michael J; Martin, Francis L; 10.1186/1757-5036-1-3

    2009-01-01

    The environmental impact of metal complexes such as organotin(IV) compounds is of increasing concern. Genotoxic effects of organotin(IV) compounds (0.01 microg/ml, 0.1 microg/ml or 1.0 microg/ml) were measured using the alkaline single-cell gel electrophoresis (comet) assay to measure DNA single-strand breaks (SSBs) and the cytokinesis-block micronucleus (CBMN) assay to determine micronucleus formation. Biochemical-cell signatures were also ascertained using attenuated total reflection Fourier-transform infrared (ATR-FTIR) spectroscopy. In the comet assay, organotin(IV) carboxylates induced significantly-elevated levels of DNA SSBs. Elevated micronucleus-forming activities were also observed. Following interrogation using ATR-FTIR spectroscopy, infrared spectra in the biomolecular range (900 cm-1 - 1800 cm-1) derived from orga...

  6. ATR-FTIR spectroscopy and chemometrics: An interesting tool to discriminate and characterize counterfeit medicines.

    Science.gov (United States)

    Custers, D; Cauwenbergh, T; Bothy, J L; Courselle, P; De Beer, J O; Apers, S; Deconinck, E

    2015-08-10

    Counterfeit medicines pose a huge threat to public health worldwide. High amounts of counterfeit pharmaceuticals enter the European market and therefore detection of these products is essential. Attenuated Total Reflection Fourier-Transform infrared spectroscopy (ATR-FTIR) might be useful for the screening of counterfeit medicines since it is easy to use and little sample preparation is required. Furthermore, this approach might be helpful to customs to obtain a first evaluation of suspected samples. This study proposes a combination of ATR-FTIR and chemometrics to discriminate and classify counterfeit medicines. A sample set, containing 209 samples in total, was analyzed using ATR-FTIR and the obtained spectra were used as fingerprints in the chemometric data-analysis which included Principal Component Analysis (PCA), k-Nearest Neighbours (k-NN), Classification and Regression Trees (CART) and Soft Independent Modelling of Class Analogy (SIMCA). First it was verified whether the mentioned techniques are capable to distinguish samples containing different active pharmaceutical ingredients (APIs). PCA showed a clear tendency of discrimination based on the API present; k-NN, CART and SIMCA were capable to create suitable prediction models based on the presence of different APIs. However k-NN performs the least while SIMCA performs the best. Secondly, it was tested whether these three models could be expanded to discriminate between genuine and counterfeit samples as well. k-NN was not able to make the desired discrimination and therefore it was not useful. CART performed better but also this model was less suited. SIMCA, on the other hand, resulted in a model with a 100% correct discrimination between genuine and counterfeit drugs. This study shows that chemometric analysis of ATR-FTIR fingerprints is a valuable tool to discriminate genuine from counterfeit samples and to classify counterfeit medicines. PMID:25476739

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

    Science.gov (United States)

    Schuttlefield, Jennifer D.; Grassian, Vicki H.

    2008-01-01

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

  8. Cleaning-in-place of immunoaffinity resins monitored by in situ ATR-FTIR spectroscopy.

    Science.gov (United States)

    Boulet-Audet, Maxime; Byrne, Bernadette; Kazarian, Sergei G

    2015-09-01

    In the next 10 years, the pharmaceutical industry anticipates that revenue from biotherapeutics will overtake those generated from small drug molecules. Despite effectively treating a range of chronic and life-threatening diseases, the high cost of biotherapeutics limits their use. For biotherapeutic monoclonal antibodies (mAbs), an important production cost is the affinity resin used for protein capture. Cleaning-in-place (CIP) protocols aim to optimise the lifespan of the resin by slowing binding capacity decay. Binding assays can determine resin capacity from the mobile phase, but do not reveal the underlying causes of Protein A ligand degradation. The focus needs to be on the stationary phase to examine the effect of CIP on the resin. To directly determine both the local Protein A ligand concentration and conformation on two Protein A resins, we developed a method based on attenuated total reflection (ATR) Fourier transform infrared (FTIR) spectroscopy. ATR-FTIR spectroscopic imaging revealed that applying a carefully controlled load to agarose beads produces an even and reproducible contact with the internal reflection element. This allowed detection and quantification of the binding capacity of the stationary phase. ATR-FTIR spectroscopy also showed that Protein A proteolysis does not seem to occur under typical CIP conditions (below 1 M NaOH). However, our data revealed that concentrations of NaOH above 0.1 M cause significant changes in Protein A conformation. The addition of >0.4 M trehalose during CIP significantly reduced NaOH-induced ligand unfolding observed for one of the two Protein A resins tested. Such insights could help to optimise CIP protocols in order to extend resin lifetime and reduce mAb production costs. PMID:26159572

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

    Science.gov (United States)

    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. Fast quantitative determination of microbial rhamnolipids from cultivation broths by ATR-FTIR Spectroscopy

    Directory of Open Access Journals (Sweden)

    Hausmann Rudolf

    2008-10-01

    Full Text Available Abstract Background Vibrational spectroscopic techniques are becoming increasingly important and popular because they have the potential to provide rapid and convenient solutions to routine analytical problems. Using these techniques, a variety of substances can be characterized, identified and also quantified rapidly. Results The rapid ATR-FTIR (Attenuated Total Reflectance Fourier Transform Infrared Spectroscopy in time technique has been applied, which is suitable to quantify the concentrations of microbial rhamnolipids in a typical cultivation process. While the usually applied HPLC analysis requires an extensive and time consuming multi step extraction protocol for sample preparation, the ATR-FTIR-method allows the quantification of the rhamnolipids within 20 minutes. Accuracies between 0.5 g/l – 2.1 g/l for the different analytes were determined by cross validation of the calibration set. Even better accuracies between 0.28 g/l – 0.59 g/l were found for independent test samples of an arbitrarily selected cultivation. Conclusion ATR-FTIR was found to be suitable for the rapid analysis of rhamnolipids in a biotechnological process with good reproducibility in sample determination and sufficient accuracy. An improvement in accuracy through continuous expansion and validation of the reference spectra set seems very likely.

  11. Detection and characterisation of frauds in bovine meat in natura by non-meat ingredient additions using data fusion of chemical parameters and ATR-FTIR spectroscopy.

    Science.gov (United States)

    Nunes, Karen M; Andrade, Marcus Vinícius O; Santos Filho, Antônio M P; Lasmar, Marcelo C; Sena, Marcelo M

    2016-08-15

    Concerns about meat authenticity are increasing recently, due to great fraud scandals. This paper analysed real samples (43 adulterated and 12 controls) originated from criminal networks dismantled by the Brazilian Police. This fraud consisted of injecting solutions of non-meat ingredients (NaCl, phosphates, carrageenan, maltodextrin) in bovine meat, aiming to increase its water holding capacity. Five physico-chemical variables were determined, protein, ash, chloride, sodium, phosphate. Additionally, infrared spectra were recorded. Supervised classification PLS-DA models were built with each data set individually, but the best model was obtained with data fusion, correctly detecting 91% of the adulterated samples. From this model, a variable selection based on the highest VIPscores was performed and a new data fusion model was built with only one chemical variable, providing slightly lower predictions, but a good cost/performance ratio. Finally, some of the selected infrared bands were specifically associated to the presence of adulterants NaCl, tripolyphosphate and carrageenan. PMID:27006208

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

    Science.gov (United States)

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

    2008-01-01

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

  13. Application of ATR-FTIR spectroscopy in quantitative analysis of deuterium in basic solutions

    International Nuclear Information System (INIS)

    A method to measure the deuterium concentration in basic solutions, using Attenuated Total Reflection Fourier Transformed Infrared Spectroscopy (ATR-FTIR) is described. Deuterium quantification is based on the O-D bond stretching peak. A calibration curve is drawn, representing the peak intensity versus the deuterium percentage in a neutral solution. No calibration curve can be obtained with basic solutions, because of the strong absorbance due to hydroxide ions. Thus, an acidification is necessary prior to the analysis of a basic solution. The deuterium content of this acid solution is then measured. As we know the dilution caused by the acid addition, we can calculate the deuterium content of the initial basic solution. The relative uncertainty of this method is + or - 2%. (authors)

  14. Adsorption of poly(ethylene oxide)-block-polylactide copolymers on polylactide as studied by ATR-FTIR spectroscopy

    Czech Academy of Sciences Publication Activity Database

    Popelka, Štěpán; Machová, Luďka; Rypáček, František

    2007-01-01

    Roč. 308, č. 2 (2007), s. 291-299. ISSN 0021-9797 R&D Projects: GA AV ČR IAA4050202 Institutional research pla n: CEZ:AV0Z40500505 Keywords : ATR-FTIR spectroscopy * copolymer adsorption * poly(ethylene oxide) Subject RIV: CD - Macromolecular Chemistry Impact factor: 2.309, year: 2007

  15. In-column ATR-FTIR spectroscopy to monitor affinity chromatography purification of monoclonal antibodies

    Science.gov (United States)

    Boulet-Audet, Maxime; Kazarian, Sergei G.; Byrne, Bernadette

    2016-07-01

    In recent years many monoclonal antibodies (mAb) have entered the biotherapeutics market, offering new treatments for chronic and life-threatening diseases. Protein A resin captures monoclonal antibody (mAb) effectively, but the binding capacity decays over repeated purification cycles. On an industrial scale, replacing fouled Protein A affinity chromatography resin accounts for a large proportion of the raw material cost. Cleaning-in-place (CIP) procedures were developed to extend Protein A resin lifespan, but chromatograms cannot reliably quantify any remaining contaminants over repeated cycles. To study resin fouling in situ, we coupled affinity chromatography and Fourier transform infrared (FTIR) spectroscopy for the first time, by embedding an attenuated total reflection (ATR) sensor inside a micro-scale column while measuring the UV 280 nm and conductivity. Our approach quantified the in-column protein concentration in the resin bed and determined protein conformation. Our results show that Protein A ligand leached during CIP. We also found that host cell proteins bound to the Protein A resin even more strongly than mAbs and that typical CIP conditions do not remove all fouling contaminants. The insights derived from in-column ATR-FTIR spectroscopic monitoring could contribute to mAb purification quality assurance as well as guide the development of more effective CIP conditions to optimise resin lifespan.

  16. Rapid determination of free fatty acids in poultry feed lipid extracts by SB-ATR FTIR spectroscopy.

    Science.gov (United States)

    Sherazi, S T H; Mahesar, S A; Bhanger, M I; van de Voort, F R; Sedman, J

    2007-06-27

    A simple, rapid, and reproducible method has been developed for the quantitative determination of free fatty acid (FFA) content in lipids extracted from poultry feeds by Fourier transform infrared (FTIR) spectroscopy with the use of a single-bounce attenuated total reflectance (SB-ATR) accessory. An FTIR calibration curve was prepared by gravimetrically adding oleic acid (15-37%) to pure refined, bleached, and deodorized (RBD) canola oil and measuring the area of the COOH absorption band at 1710 cm-1. The oil from each of 12 poultry feed formulations was extracted using conventional Soxhlet extraction, and after evaporation of the solvent, the FFA content was determined by the conventional AOCS titrimetric procedure and by the SB-ATR/FTIR method. The SB-ATR/FTIR FFA predictions were related to those determined by the AOCS titrimetric method by linear regression, producing an R value of 0.999 and a SD of +/-0.28% FFA. Time-course spectra collected as lipids extracted into hexane indicated that a 15 min extraction was adequate to obtain a representative sample for FFA determination, with further extraction resulting in little, if any, change in the proportion of FFA in the lipid extract. Only a small volume of the hexane extract ( approximately 20 mL) yielded sufficient material for the SB-ATR/FTIR analysis. Thus, by shortening the extraction time and taking a small sample so as to reduce solvent removal time, the SB-ATR/FTIR procedure provides a very simple and rapid means of determining the FFA content of poultry feed lipids. PMID:17530766

  17. High resolution ATR FTIR spectroscopy of hydrogenated diamond nanoparticles using diamond-coated prism

    Czech Academy of Sciences Publication Activity Database

    Remeš, Zdeněk; Kozak, Halyna; Rezek, Bohuslav; Babchenko, Oleg; Kromka, Alexander; Girard, H.A.; Petit, T.; Arnault, J.-C.; Bergonzo, P.

    Tokyo : Prime International Co, 2011. s. 128. [International Conference on New Diamond and Nano carbons 2011 (NDNC 2011). 16.05.2011.-20.05.2011, Kunibiki Messe, Matsue] R&D Projects: GA MŠk LC510 Grant ostatní: AVČR(CZ) M100100902 Institutional research plan: CEZ:AV0Z10100521 Keywords : nanodiamond * ATR FTIR * hydrogenation Subject RIV: BM - Solid Matter Physics ; Magnetism

  18. Determination of surface concentrations of individual molecule-layers used in nanoscale biosensors by in situ ATR-FTIR spectroscopy

    KAUST Repository

    Punzet, Manuel

    2012-01-01

    For the development of nanowire sensors for chemical and medical detection purposes, the optimal functionalization of the surface is a mandatory component. Quantitative ATR-FTIR spectroscopy was used in situ to investigate the step-by-step layer formation of typical functionalization protocols and to determine the respective molecule surface concentrations. BSA, anti-TNF-α and anti-PSA antibodies were bound via 3-(trimethoxy)butylsilyl aldehyde linkers to silicon-oxide surfaces in order to investigate surface functionalization of nanowires. Maximum determined surface concentrations were 7.17 × 10 -13 mol cm -2 for BSA, 1.7 × 10 -13 mol cm -2 for anti-TNF-α antibody, 6.1 × 10 -13 mol cm -2 for anti-PSA antibody, 3.88 × 10 -13 mol cm -2 for TNF-α and 7.0 × 10 -13 mol cm -2 for PSA. Furthermore we performed antibody-antigen binding experiments and determined the specific binding ratios. The maximum possible ratio of 2 was obtained at bulk concentrations of the antigen in the μg ml -1 range for TNF-α and PSA. © 2012 The Royal Society of Chemistry.

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

    Science.gov (United States)

    Obinaju, Blessing E; Martin, Francis L

    2016-01-01

    Fourier-transform infrared (FTIR) spectroscopy is an emerging technique to detect biochemical alterations in biological tissues, particularly changes due to sub-lethal exposures to environmental contaminants. We have previously shown the potential of attenuated total reflection FTIR (ATR-FTIR) spectroscopy to detect real-time exposure to contaminants in sentinel organisms as well as the potential to relate spectral alterations to the presence of specific environmental agents. In this study based in the Niger Delta (Nigeria), changes occurring in fish tissues as a result of polycyclic aromatic hydrocarbon (PAH) exposure at contaminated sites are compared to the infrared (IR) spectra of the tissues obtained from a relatively pristine site. Multivariate analysis revealed that PAH contamination could be occurring at the pristine site, based on the IR spectra and significant (P<0.0001) differences between sites. The study provides evidence of the IR spectroscopy techniques' sensitivity and supports their potential application in environmental biomonitoring. PMID:26826366

  20. Bacterial and abiotic decay in waterlogged archaeological Picea abies (L.) Karst studied by confocal Raman imaging and ATR-FTIR spectroscopy

    DEFF Research Database (Denmark)

    Pedersen, Nanna Bjerregaard; Gierlinger, Notburga; Thygesen, Lisbeth Garbrecht

    2015-01-01

    Waterlogged archaeological Norway spruce [Picea abies (L.) Karst] poles were studied by means of confocal Raman imaging (CRI) and attenuated total reflection Fourier transform infrared spectroscopy (ATR-FTIR) analysis to determine lignin and polysaccharide composition and distribution in the cell...

  1. ATR-FTIR Spectroscopy for the Characterization of Magnetic Tape Materials

    Directory of Open Access Journals (Sweden)

    Tobias Weber

    2011-01-01

    Full Text Available The Music Archive of the Ethnological Museum (National Museums Berlin, Germany houses a large number of recordings on phonograph cylinders and magnetic tapes. The project ILKAR (Integrated Solutions for Preservation, Archiving and Conservation of Endangered Magnetic Tapes and Cylinders aims at prioritising the digitisation of the more than 10,000 magnetic tapes of the Archive. In this contribution, the usefulness of Attenuated Total Reflectance - Fourier Transform Infrared Spectroscopy for the characterisation of the constituent materials of magnetic tapes is discussed. The final aim of the research is the characterisation of the most endangered materials of the Archive's collection and the evaluation of their conservation state. A range of complementary techniques should aid in the characterisation of the main tape types housed in the archive and will help to achieve a better understanding of their decay processes.

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

    Science.gov (United States)

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

    2016-01-27

    The chlorogenic acid isomer profile and antioxidant activity of both green and roasted coffee beans are reported herein using ATR-FTIR spectroscopy combined with chemometric analyses. High-performance liquid chromatography (HPLC) quantified different chlorogenic acid isomer contents for reference, whereas ORAC, ABTS, and DPPH were used to determine the antioxidant activity of the same coffee bean extracts. FTIR spectral data and reference data of 42 coffee bean samples were processed to build optimized PLSR models, and 18 samples were used for external validation of constructed PLSR models. In total, six PLSR models were constructed for six chlorogenic acid isomers to predict content, with three PLSR models constructed to forecast the free radical scavenging activities, obtained using different chemical assays. In conclusion, FTIR spectroscopy, coupled with PLSR, serves as a reliable, nondestructive, and rapid analytical method to quantify chlorogenic acids and to assess different free radical-scavenging capacities in coffee beans. PMID:26725502

  3. Study in vitro of Er,Cr:YSGG laser effects in bone tissue by ATR-FTIR spectroscopy

    International Nuclear Information System (INIS)

    Laser proves to be, more and more, an effective tool for helping health professionals, being intensively used in ophthalmological and odontological procedures. In particular, high-density, infrared emitting lasers have great potential in cutting mineralized biological hard tissues, given their high absorption by hydroxyapatite and water, these tissues' main components. In comparison to mechanical instruments, laser presents a series of advantages, namely, smaller damage to the remaining tissue and promotion of homeostatic effect, apart from making it possible to execute procedures in areas with difficult access. However, for an efficient and safe use of this technique, it is necessary to know the effects of the laser irradiation on the tissue. The Fourier transform infrared (FTIR) technique is heavily used in the study of organic materials, because apart from making it possible to identify the materials' components, it also allows to prepare a semi quantitative analysis. This work aims to establish the ATR-FTIR technique in the characterization of natural and irradiated osseous tissue, and to verify the possible chemical and structural changes caused by irradiation. Firstly, the best conditions for the obtainment of bone sample spectra were determined. Then, bone samples, irradiated with the Er,Cr:YSGG (2,78 μm) infrared emitting laser (adjusted with different energy densities) were analyzed alongside with natural bone samples. It has been verified that the technique is effective in the bone tissue characterization, and that it is possible to observe the chemical changes caused by the temperature rise due to laser irradiation. It has been observed a gradual organic material loss as the energy density goes up. These results are the first steps in testing the Er,Cr:YSGG laser efficacy as a cutting tool, a pivotal aspect of its consolidation in clinical procedures. (author)

  4. The effect of calcium ions and sodium silicate on the adsorption of a model anionic flotation collector on magnetite studied by ATR-FTIR spectroscopy.

    Science.gov (United States)

    Potapova, E; Grahn, M; Holmgren, A; Hedlund, J

    2010-05-01

    Previous studies have shown that agglomeration of the magnetite concentrate after reverse flotation of apatite is negatively affected by the collector species adsorbed on the surface of magnetite. In this work, the effect of ionic strength, calcium ions and sodium silicate on the unwanted adsorption of a model anionic flotation collector on synthetic magnetite was studied in situ using attenuated total reflectance Fourier transform infrared spectroscopy (ATR-FTIR). The amount of collector adsorbed was found to increase with increasing ionic strength at pH 8.5 providing evidence to the contribution of electrostatic forces to the adsorption of the collector. Adding sodium silicate to the system resulted in a threefold decrease in the amount of collector adsorbed compared to when no sodium silicate was added, confirming the depressing activity of sodium silicate on magnetite. Calcium ions were shown to increase the adsorption of both the collector and sodium silicate on magnetite. The depressing effect of sodium silicate on collector adsorption was completely suppressed in the presence of calcium ions under the conditions studied. Furthermore, the amount of collector adsorbed on magnetite from the silicate-collector solution increased 14 times upon addition of calcium ions suggesting that calcium ions in the process water may increase undesired adsorption of the collector on the iron oxide. PMID:20153478

  5. Application of ATR-FTIR Spectroscopy to Compare the Cell Materials of Wood Decay Fungi with Wood Mould Fungi

    OpenAIRE

    Barun Shankar Gupta; Bjørn Petter Jelle; Tao Gao

    2015-01-01

    Wood fungi create vast damage among standing trees and all types of wood materials. The objectives of this study are to (a) characterize the cell materials of two major wood decay fungi (Basidiomycota), namely, Trametes versicolor and Postia placenta, and (b) compare the cell materials of decay fungi with four wood mould fungi (Ascomycota), namely, Aureobasidium pullulans, Alternaria alternata, Cladosporium cladosporioides, and Ulocladium atrum. Fourier transform infrared (FTIR) spectroscopy ...

  6. Rapid quantification of methamphetamine: using attenuated total reflectance fourier transform infrared spectroscopy (ATR-FTIR and chemometrics.

    Directory of Open Access Journals (Sweden)

    Juanita Hughes

    Full Text Available In Australia and increasingly worldwide, methamphetamine is one of the most commonly seized drugs analysed by forensic chemists. The current well-established GC/MS methods used to identify and quantify methamphetamine are lengthy, expensive processes, but often rapid analysis is requested by undercover police leading to an interest in developing this new analytical technique. Ninety six illicit drug seizures containing methamphetamine (0.1%-78.6% were analysed using Fourier Transform Infrared Spectroscopy with an Attenuated Total Reflectance attachment and Chemometrics. Two Partial Least Squares models were developed, one using the principal Infrared Spectroscopy peaks of methamphetamine and the other a Hierarchical Partial Least Squares model. Both of these models were refined to choose the variables that were most closely associated with the methamphetamine % vector. Both of the models were excellent, with the principal peaks in the Partial Least Squares model having Root Mean Square Error of Prediction 3.8, R(2 0.9779 and lower limit of quantification 7% methamphetamine. The Hierarchical Partial Least Squares model had lower limit of quantification 0.3% methamphetamine, Root Mean Square Error of Prediction 5.2 and R(2 0.9637. Such models offer rapid and effective methods for screening illicit drug samples to determine the percentage of methamphetamine they contain.

  7. Revisiting the Brønsted acid catalysed hydrolysis kinetics of polymeric carbohydrates in ionic liquids by in situ ATR-FTIR spectroscopy

    DEFF Research Database (Denmark)

    Kunov-Kruse, Andreas Jonas; Riisager, Anders; Shunmugavel, Saravanamurugan;

    2013-01-01

    A new versatile method to measure rates and determine activation energies for the Brønsted acid catalysed hydrolysis of cellulose and cellobiose (and other polymeric carbohydrates) in ionic liquids is demonstrated by following the C–O stretching band of the glycoside bond with in situ ATR-FTIR. A...

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

    Science.gov (United States)

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

    2016-01-01

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

  9. Differentiation of Anatolian honey samples from different botanical origins by ATR-FTIR spectroscopy using multivariate analysis.

    Science.gov (United States)

    Gok, Seher; Severcan, Mete; Goormaghtigh, Erik; Kandemir, Irfan; Severcan, Feride

    2015-03-01

    Botanical origin of the nectar predominantly affects the chemical composition of honey. Analytical techniques used for reliable honey authentication are mostly time consuming and expensive. Additionally, they cannot provide 100% efficiency in accurate authentication. Therefore, alternatives for the determination of floral origin of honey need to be developed. This study aims to discriminate characteristic Anatolian honey samples from different botanical origins based on the differences in their molecular content, rather than giving numerical information about the constituents of samples. Another scope of the study is to differentiate inauthentic honey samples from the natural ones precisely. All samples were tested via unsupervised pattern recognition procedures like hierarchical clustering and Principal Component Analysis (PCA). Discrimination of sample groups was achieved successfully with hierarchical clustering over the spectral range of 1800-750 cm(-1) which suggests a good predictive capability of Fourier Transform Infrared (FTIR) spectroscopy and chemometry for the determination of honey floral source. PMID:25306340

  10. Application of ATR-FTIR Spectroscopy to Compare the Cell Materials of Wood Decay Fungi with Wood Mould Fungi

    Directory of Open Access Journals (Sweden)

    Barun Shankar Gupta

    2015-01-01

    Full Text Available Wood fungi create vast damage among standing trees and all types of wood materials. The objectives of this study are to (a characterize the cell materials of two major wood decay fungi (Basidiomycota, namely, Trametes versicolor and Postia placenta, and (b compare the cell materials of decay fungi with four wood mould fungi (Ascomycota, namely, Aureobasidium pullulans, Alternaria alternata, Cladosporium cladosporioides, and Ulocladium atrum. Fourier transform infrared (FTIR spectroscopy is used to characterize the microbial cellular materials. The results showed that the IR bands for the fatty acid at ∼2900 cm−1 were different for the two-decay-fungi genre. Postia placenta shows more absorbance peaks at the fatty acid region. Band ratio indices for amide I and amide II from protein amino acids were higher for the mould fungi (Ascomycota than the decay fungi (Basidiomycota. Similarly, the band ratio index calculated for the protein end methyl group was found to be higher for the mould fungi than the decay fungi. Mould fungi along with the decay fungi demonstrated a positive correlation (R2=0.75 between amide I and amide II indices. The three-component multivariate, principal component analysis showed a strong correlation of amide and protein band indices.

  11. Characterization of nasal paraffinoma following septorhinoplasty by attenuated total reflection--fourier transform infrared spectroscopy (ATR-FTIR).

    Science.gov (United States)

    Gil-Carcedo, Luis M; Martín-Gil, Jesús; Gil-Carcedo, Elisa S; Vallejo, Luis A; Martín-Gil, Francisco J

    2006-06-01

    Vaseline and paraffin have been injected into various parts of the body. Vaselinoma and paraffinoma are well-described complications, despite which nasal packing with Vaseline gauze is still common in the management of epistaxis, after rhinoplasty, endonasal surgery, to control bleeding and prevent synechiae or restenosis. Our aim is to highlight this complication, propose a safe method for its diagnosis and establish guidelines for its prevention. We report two cases of paraffinoma occurring after rhinoplasty and discuss prevention of this rare but serious complication, and suggest an alternative dressing. Attenuated total reflection (ATR) FI7R spectra have proven to be a definitive characterising tool for surgical extracts, guaranteeing detection of mineral products that histology does not offer. For these lesions we propose the name "petroleum oilomas" which we feel to be more appropriate than the more commonly used paraffinomas. Relevance of the work: a description of an innovative and safe method of diagnosis, and proposal of a procedure for postrhinoplasty packing (without mineral oils) to avoid this complication. PMID:16792177

  12. Adsorption of poly(ethylene oxide)-block-poly(D,L-lactide) copolymers on polyactide surface studied by ATR-FTIR spectroscopy

    Czech Academy of Sciences Publication Activity Database

    Popelka, Štěpán; Machová, Luďka; Rypáček, František

    Prague: Czech Society for New Materials and Technologies, 2005. Poster Session II. [European Congress on Advanced Materials and Processes. 5.9.2005-8.9.2005, Prague] R&D Projects: GA AV ČR IAA4050202 Keywords : ATR FTIR * polylactide * surface Subject RIV: CD - Macromolecular Chemistry http://webdb.dgm.de/dgm_lit/prg/FMPro?-db=w_program&-recID=12953608&- format =prog_kurzfassung.htm&-lay=Standard&-find

  13. Use of ATR-FTIR spectroscopy coupled with chemometrics for the authentication of avocado oil in ternary mixtures with sunflower and soybean oils.

    Science.gov (United States)

    Jiménez-Sotelo, Paola; Hernández-Martínez, Maylet; Osorio-Revilla, Guillermo; Meza-Márquez, Ofelia Gabriela; García-Ochoa, Felipe; Gallardo-Velázquez, Tzayhrí

    2016-07-01

    Avocado oil is a high-value and nutraceutical oil whose authentication is very important since the addition of low-cost oils could lower its beneficial properties. Mid-FTIR spectroscopy combined with chemometrics was used to detect and quantify adulteration of avocado oil with sunflower and soybean oils in a ternary mixture. Thirty-seven laboratory-prepared adulterated samples and 20 pure avocado oil samples were evaluated. The adulterated oil amount ranged from 2% to 50% (w/w) in avocado oil. A soft independent modelling class analogy (SIMCA) model was developed to discriminate between pure and adulterated samples. The model showed recognition and rejection rate of 100% and proper classification in external validation. A partial least square (PLS) algorithm was used to estimate the percentage of adulteration. The PLS model showed values of R(2) > 0.9961, standard errors of calibration (SEC) in the range of 0.3963-0.7881, standard errors of prediction (SEP estimated) between 0.6483 and 0.9707, and good prediction performances in external validation. The results showed that mid-FTIR spectroscopy could be an accurate and reliable technique for qualitative and quantitative analysis of avocado oil in ternary mixtures. PMID:27314226

  14. In vitro evaluation of ionizing radiation effects in bone tissue by FTIR spectroscopy and dynamic mechanical analysis; Avaliacao in vitro dos efeitos da radiacao ionizante em tecido osseo bovino por espectroscoia ATR-FTIR e analise dinamica-mecanica

    Energy Technology Data Exchange (ETDEWEB)

    Veloso, Marcelo Noronha

    2013-07-01

    Ionizing radiation from gamma radiation sources or X-ray generators is frequently used in Medical Science, such as radiodiagnostic exams, radiotherapy, and sterilization of haloenxerts. Ionizing radiation is capable of breaking polypeptidic chains and causing the release of free radicals by radiolysis.of water. It interacts also with organic material at the molecular level, and it may change its mechanical properties. In the specific case of bone tissue, studies report that ionizing radiation induces changes in collagen molecules and reduces the density of intermolecular crosslinks. The aim of this study was to verify the changes promoted by different doses of ionizing radiation in bone tissue using Fourier Transform Infrared Spectroscopy (FTIR) and dynamic mechanical analysis (DMA). Samples of bovine bone were irradiated using Cobalt-60 with five different doses: 0.01 kGy, 0.1 kGy, 1 kGy, 15 kGy and 75 kGy. To study the effects of ionizing irradiation on the chemical structure of the bone, the sub-bands of amide I, the crystallinity index and relation of organic and inorganic materials, were studied. The mechanical changes were evaluated using the elastic modulus and the damping value. To verify whether the chemical changes and the mechanical characteristics of the bone were correlated, the relation between the analysis made with spectroscopic data and the mechanical analysis data was studied. It was possible to evaluate the effects of different doses of ionizing radiation in bone tissue. With ATR-FTIR spectroscopy, it was possible to observe changes in the organic components and in the hydroxyapatite crystals organization. Changes were also observed in the elastic modulus and in the damping value. High correlation with statistical significance was observed among (amide III + collagen)/{sub v1,v3}, PO{sub 4}{sup 3-} and the delta tangent, and among 1/FHWM and the elastic modulus. (author)

  15. ATR FTIR Mapping of Leather Fiber Panels

    Science.gov (United States)

    Tondi, G.; Grünewald, T.; Petutschnigg, A.; Schnabel, T.

    2015-01-01

    Leather fiber panels are very promising materials for many applications, not only for the easy availability of the constituents but also for their outstanding fi re-retardant properties. These innovative composite panels can be an excellent material for building insulation, and in recent times, the interest of industries in this composite board has considerably arisen. For this reason the discrimination of the components in the leather fiber panels is becoming fundamental in order to ensure their homogeneous properties. A method to characterize the surface of these materials is then required. An ATR FTIR mapping system for the leather fiber panels has been performed with a Perkin-Elmer microscope coupled with a Frontier FTIR spectrometer. The system has successfully allowed transforming the optical image to a chemical one. This technique can be considered as a right tool for routine controls of the surface quality, especially when the leather shavings cannot be optically distinguished.

  16. Investigation on Crude and High-Temperature Heated Coffee Oil by ATR-FTIR Spectroscopy along with Antioxidant and Antimicrobial Properties.

    Directory of Open Access Journals (Sweden)

    Diana Nicoleta Raba

    Full Text Available The coffee oil has a promising potential to be used in food industry, but an efficient use, especially in products that required high-temperature heating, depends on its chemical composition and the changes induced by processing. Since there is little information on this topic, the aim of our study was to investigate the crude green and roasted coffee oil (GCO, RCO and heated (HGCO, HRCO for 1 h at 200°C, by Fourier Transform Infrared (FTIR spectroscopy and in terms of antioxidant and antimicrobial properties. The results of FTIR spectroscopy revealed that no statistically significant differences (one-way ANOVA, p>0.05 in the oxidative status of GCO and RCO were found. The coffee oils heating induced significant spectral changes in the regions 3100-3600 cm(-1, 2800-3050 cm(-1 and 1680-1780 cm(-1 proved by the differences in the absorbance ratios A 3009 cm(-1/A 2922 cm(-1, A 3009 cm(-1/A 2853 cm(-1, A 3009 cm(-1/A 1744 cm(-1, A 1744 cm(-1/A 2922 cm(-1. These alterations were related to the reduction of the unsaturation degree due to primary and secondary oxidation processes of the lipid fraction. The radical scavenging ability of oils investigated by 2,2-diphenyl-1-picrylhydrazyl (DPPH assay revealed that the IC50 value of GCO was significantly lower than of RCO (p0.05. Also, HGCO and HRCO showed significantly different inhibitory potential related to the control (p<0.05. The heating induced statistically significant decreases in the effectiveness of coffee oils against the tested bacteria. GCO proved to be the most effective among investigated coffee oils against the tested bacteria.

  17. Investigation on Crude and High-Temperature Heated Coffee Oil by ATR-FTIR Spectroscopy along with Antioxidant and Antimicrobial Properties.

    Science.gov (United States)

    Raba, Diana Nicoleta; Poiana, Mariana-Atena; Borozan, Aurica Breica; Stef, Marius; Radu, Florina; Popa, Mirela-Viorica

    2015-01-01

    The coffee oil has a promising potential to be used in food industry, but an efficient use, especially in products that required high-temperature heating, depends on its chemical composition and the changes induced by processing. Since there is little information on this topic, the aim of our study was to investigate the crude green and roasted coffee oil (GCO, RCO) and heated (HGCO, HRCO) for 1 h at 200°C, by Fourier Transform Infrared (FTIR) spectroscopy and in terms of antioxidant and antimicrobial properties. The results of FTIR spectroscopy revealed that no statistically significant differences (one-way ANOVA, p>0.05) in the oxidative status of GCO and RCO were found. The coffee oils heating induced significant spectral changes in the regions 3100-3600 cm(-1), 2800-3050 cm(-1) and 1680-1780 cm(-1) proved by the differences in the absorbance ratios A 3009 cm(-1)/A 2922 cm(-1), A 3009 cm(-1)/A 2853 cm(-1), A 3009 cm(-1)/A 1744 cm(-1), A 1744 cm(-1)/A 2922 cm(-1). These alterations were related to the reduction of the unsaturation degree due to primary and secondary oxidation processes of the lipid fraction. The radical scavenging ability of oils investigated by 2,2-diphenyl-1-picrylhydrazyl (DPPH) assay revealed that the IC50 value of GCO was significantly lower than of RCO (pcoffee oils were lower than those of heated samples. The antioxidant activity of oils was attributed to both antioxidant compounds with free-radical scavenging capacity and to lipids oxidation products generated by heating. In the first 6 h of incubation, the inhibitory activity of crude oils against E. coli and E. faecalis was not significantly different to the control (p>0.05). Also, HGCO and HRCO showed significantly different inhibitory potential related to the control (pcoffee oils against the tested bacteria. GCO proved to be the most effective among investigated coffee oils against the tested bacteria. PMID:26366731

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

    Science.gov (United States)

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

    2016-05-15

    Reference methods for quality control of vaccines usually require treatment of the samples before analysis. These procedures are expensive, time-consuming, unhealthy and require careful manipulation of the sample, making them a potential source of analytical errors. This work proposes a novel method for the quality control of thermostabilizer samples of the yellow fever vaccine employing attenuated total reflectance Fourier transform infrared spectrometry (ATR-FTIR). The main advantage of the proposed method is the possibility of direct determination of the analytes (sodium glutamate and sorbitol) without any pretreatment of the samples. Operational parameters of the FTIR technique, such as the number of accumulated scans and nominal resolution, were evaluated. The best conditions for sodium glutamate were achieved when 64 scans were accumulated using a nominal resolution of 4 cm(-1). The measurements for sodium glutamate were performed at 1347 cm(-1) (baseline correction between 1322 and 1369 cm(-1)). In the case of sorbitol, the measurements were done at 890cm(-1) (baseline correction between 825 and 910 cm(-1)) using a nominal resolution of 2 cm(-1) with 32 accumulated scans. In both cases, the quantitative variable was the band height. Recovery tests were performed in order to evaluate the accuracy of the method and recovery percentages in the range 93-106% were obtained. Also, the methods were compared with reference methods and no statistical differences were observed. The limits of detection and quantification for sodium glutamate were 0.20 and 0.62% (m/v), respectively, whereas for sorbitol they were 1 and 3.3% (m/v), respectively. PMID:26992492

  19. Corrosion inhibitor film formation studied by ATR-FTIR

    Energy Technology Data Exchange (ETDEWEB)

    Campbell, S.; Jovancicevic, V. [Baker Petrolite, Sugar Land, TX (United States)

    1999-11-01

    The development of an inhibitor film is essential for the effective performance of a corrosion inhibitor. The use of attenuated total reflection fourier transform infrared spectroscopy (ATR-FTIR) allows the development of inhibitor films on iron oxides to be monitored. For two distinct corrosion inhibitor chemistries, oleic imidazoline and phosphate ester, the film formation and corrosion processes are monitored on Fe{sub 3}O{sub 4} in a powdered form (a model surface). Additional data following on the physical and chemical properties are obtained using XPS and SEM techniques, which allows for a more complete characterization of the model inhibitor/oxide system. By the proper choice of system and measurement techniques, the complex phenomenon of corrosion inhibition may be analyzed directly.

  20. In-situ ATR-FTIR for characterization of thin biorelated polymer films

    Energy Technology Data Exchange (ETDEWEB)

    Müller, M., E-mail: mamuller@ipfdd.de [Leibniz Institute of Polymer Research Dresden (IPF Dresden), Hohe Straße 6, 01069 Dresden (Germany); Technical University of Dresden (TUD), Department of Chemistry and Food Chemistry, 01062 Dresden (Germany); Torger, B. [Leibniz Institute of Polymer Research Dresden (IPF Dresden), Hohe Straße 6, 01069 Dresden (Germany); Technical University of Dresden (TUD), Department of Chemistry and Food Chemistry, 01062 Dresden (Germany); Bittrich, E. [Leibniz Institute of Polymer Research Dresden (IPF Dresden), Hohe Straße 6, 01069 Dresden (Germany); Kaul, E.; Ionov, L. [Leibniz Institute of Polymer Research Dresden (IPF Dresden), Hohe Straße 6, 01069 Dresden (Germany); Technical University of Dresden (TUD), Department of Chemistry and Food Chemistry, 01062 Dresden (Germany); Uhlmann, P. [Leibniz Institute of Polymer Research Dresden (IPF Dresden), Hohe Straße 6, 01069 Dresden (Germany); Stamm, M. [Leibniz Institute of Polymer Research Dresden (IPF Dresden), Hohe Straße 6, 01069 Dresden (Germany); Technical University of Dresden (TUD), Department of Chemistry and Food Chemistry, 01062 Dresden (Germany)

    2014-04-01

    We present and review in-situ-attenuated total reflection Fourier transform infrared (ATR-FTIR) spectroscopic data from thin biorelated polymer films useful for the modification and functionalization of polymer and inorganic materials and discuss their applications related to life sciences. A special ATR mirror attachment operated by the single-beam-sample-reference (SBSR) concept and housing a homebuilt thermostatable flow cell was used, which allows for appropriate background compensation and signal to noise ratio. ATR-FTIR data on the reactive deposition of dopamine on inorganic model surfaces are shown. Information on the structure and deposition pathway for such bioinspired melanin-like films is provided. ATR-FTIR data on thermosensitive polymer brushes of poly(N-isopropylacrylamide) (PNIPAAM) is then presented. The thermotropic hydration and hydrogen bonding behavior of PNIPAAM brush films is described. Finally, ATR-FTIR data on biorelated polyelectrolyte multilayers (PEM) are given together with details on PEM growth and detection. Applications of these latter films for biopassivation/activation and local drug delivery are addressed.

  1. Multivariate analysis of ATR-FTIR spectra for assessment of oil shale organic geochemical properties

    Science.gov (United States)

    Washburn, Kathryn E.; Birdwell, Justin E.

    2013-01-01

    In this study, attenuated total reflectance (ATR) Fourier transform infrared spectroscopy (FTIR) was coupled with partial least squares regression (PLSR) analysis to relate spectral data to parameters from total organic carbon (TOC) analysis and programmed pyrolysis to assess the feasibility of developing predictive models to estimate important organic geochemical parameters. The advantage of ATR-FTIR over traditional analytical methods is that source rocks can be analyzed in the laboratory or field in seconds, facilitating more rapid and thorough screening than would be possible using other tools. ATR-FTIR spectra, TOC concentrations and Rock–Eval parameters were measured for a set of oil shales from deposits around the world and several pyrolyzed oil shale samples. PLSR models were developed to predict the measured geochemical parameters from infrared spectra. Application of the resulting models to a set of test spectra excluded from the training set generated accurate predictions of TOC and most Rock–Eval parameters. The critical region of the infrared spectrum for assessing S1, S2, Hydrogen Index and TOC consisted of aliphatic organic moieties (2800–3000 cm−1) and the models generated a better correlation with measured values of TOC and S2 than did integrated aliphatic peak areas. The results suggest that combining ATR-FTIR with PLSR is a reliable approach for estimating useful geochemical parameters of oil shales that is faster and requires less sample preparation than current screening methods.

  2. Quantitative in-situ ATR-FTIR studies on the selective interaction of polyelectrolyte multilayers with protein mixtures

    Czech Academy of Sciences Publication Activity Database

    Müller, M.; Bohatá, Karolína; Ouyang, W.; Kessler, B.; Pientka, Zbyněk; Brynda, Eduard

    Graz : Austrian Centre for Electron MIcroscopy and Nanoanalysis, 2007. S.26. [European Symposium on Polymer Spectroscopy /17./. 09.9.2007-12.09.2007, Seggauberg Leibnitz] Institutional research plan: CEZ:AV0Z40500505 Keywords : polyelectrolyte multilayers * ATR-FTIR studies Subject RIV: CD - Macromolecular Chemistry

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

    Science.gov (United States)

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

    2016-05-01

    The rise in improved and widely accessible printing technology has resulted in an interest to develop rapid and minimally destructive chemical analytical techniques that can characterize printing inks for forensic document analysis. Chemical characterization of printing inks allows for both discrimination of inks originating from different sources and the association of inks originating from the same source. Direct analysis in real-time mass spectrometry (DART-MS) and attenuated total reflectance Fourier transform infrared spectroscopy (ATR-FTIR) were used in tandem to analyze four different classes of printing inks: inkjets, toners, offset, and intaglio. A total of 319 samples or ~ 80 samples from each class were analyzed directly on a paper substrate using the two methods. DART-MS was found to characterize the semi-volatile polymeric vehicle components, while ATR-FTIR provided chemical information associated with the bulk components of these inks. Complimentary data results in improved discrimination when both techniques are used in succession resulting in >96% discrimination for all toners, 95% for all inkjets, >92% for all offset, and >54% for all intaglio inks. PMID:27122410

  4. ATR-FTIR microscopy in mapping mode for the study of verdigris and its secondary products

    Science.gov (United States)

    Prati, S.; Bonacini, I.; Sciutto, G.; Genty-Vincent, A.; Cotte, M.; Eveno, M.; Menu, M.; Mazzeo, R.

    2016-01-01

    To study degradation processes occurring on painting materials, the use of high-resolution micro-analytical techniques is highly requested since it provides a detailed identification and localisation of both the original and deteriorated ingredients. Among the various pigments recently studied, the characterisation of verdigris has received a major interest. This pigment has not a unique chemical formula, but its composition depends on the recipe employed for its manufacturing. Moreover, verdigris paints are not stable and are subject to a colour change from blue-green to green, which occurs in the first few months after the application. In this paper, we focused our attention on the use of ATR-FTIR mapping as a useful method to identify verdigris secondary products and pathways. Several mock-ups and real samples have been analysed, and the correlation among the detected compounds and their spatial location, obtained by the application of ATR-FTIR microscopy in mapping mode, allowed formulating some hypotheses on the degradation pattern of verdigris, which may feed the discussion on the transformation and stability of this pigment. From an analytical point of view, we showed how FTIR mapping approaches may be extremely useful both for the identification of compounds in complex matrix in which single spectra may limit the exhaustive characterisations due to bands overlapping and for the study of degradation pathways by taking into consideration the relative distribution of degradation products.

  5. In situ-ATR-FTIR analysis on the uptake and release of streptomycin from polyelectrolyte complex layers

    Science.gov (United States)

    Torger, B.; Müller, M.

    2013-03-01

    In-situ ATR-FTIR spectroscopy and line shape analysis of the diagnostic spectral region was used to quantify the bound amount and release of the antibiotic streptomycin (STRP) at polyelectrolyte (PEL) multilayers (PEM) of poly(ethyleneimine) (PEI) and poly(acrylic acid) (PAA) or PEI and sodium alginate (ALG). Unlike common concepts based on the drug enrichment of the release medium, this analytical concept allowed to measure quantitatively the drug depletion in the delivery matrix. The measured kinetic in situ ATR-FTIR data were analysed by a modified Korsmeyer-Peppas equation based on two characteristic release parameters k and n. As main experimental parameters the number of PEL layers (adsorption steps) z and the STRP/PEL ratio were varied. For z = 8 the STRP/PEL ratio showed the most significant influence on release kinetics, whereby for STRP/PEL = 1:25 slowest (n = 0.77) and lowest (k = 21.4%) and for STRP/PEL = 1:5 most rapid (n = 0.30) and highest (k = 58.6%) drug releases were found. PEM-PEI/ALG-8 (STRP/PEL = 1:5) revealed slower release rates (n = 0.58) and lower released STRP amounts (k = 17.1%) compared to PEI/PAA. UV-VIS data on time dependent STRP enrichment of the release medium showed a similar trend compared to respective ATR-FTIR data on STRP depletion in PEM. Released amounts of around 1-2 mg from the herein introduced PEM films could be determined. The introduced analytical concept will be used as screening tool for other drugs, drug eluting films and bone substituting materials.

  6. In Situ ATR FTIR Spectroscopic Study of the Formation and Hydration of a Fucoidan/Chitosan Polyelectrolyte Multilayer.

    Science.gov (United States)

    Ho, Tracey T M; Bremmell, Kristen E; Krasowska, Marta; MacWilliams, Stephanie V; Richard, Céline J E; Stringer, Damien N; Beattie, David A

    2015-10-20

    The formation of fucoidan/chitosan-based polyelectrolyte multilayers (PEMs) has been studied with in situ Fourier transform infrared (FTIR) spectroscopy. Attenuated total reflectance (ATR) FTIR spectroscopy has been used to follow the sequential build-up of the multilayer, with peaks characteristic of each polymer being seen to increase in intensity with each respective adsorption stage. In addition, spectral processing has allowed for the extraction of spectra from individual adsorbed layers, which have been used to provide unambiguous determination of the adsorbed mass of the PEM at each stage of formation. The PEM was seen to undergo a transition in growth regimes during build-up: from supra-linear to linear. In addition, the wettability of the PEM has been probed at each stage of the build-up, using the captive bubble contact angle technique. The contact angles were uniformly low, but showed variation in value depending on the nature of the outer polymer layer, and this variation correlated with the overall percentage hydration of the PEM (determined from FTIR and quartz crystal microbalance data). The nature of the hydration water within the polyelectrolyte multilayer has also been studied with FTIR spectroscopy, specifically in situ synchrotron ATR FTIR microscopy of the multilayer confined between two solid surfaces. The acquired spectra have enabled the hydrogen bonding environment of the PEM hydration water to be determined. The PEM hydration water is seen to have an environment in which it is subject to fewer hydrogen bonding interactions than in bulk electrolyte solution. PMID:26421938

  7. In situ ATR-FTIR study of H2O and D2O adsorption on TiO2 under UV irradiation.

    Science.gov (United States)

    Belhadj, Hamza; Hakki, Amer; Robertson, Peter K J; Bahnemann, Detlef W

    2015-09-21

    The adsorption of water and deuterium oxide on TiO2 surfaces was investigated in the dark as well as under UV(A) irradiation using in situ ATR-FTIR spectroscopy under oxygen and oxygen free conditions. Adsorption of H2O-D2O mixtures revealed an isotopic exchange reaction occurring onto the surface of TiO2 in the dark. Under UV(A) irradiation, the amount of both OH and OD groups was found to be increased by the presence of molecular oxygen. Furthermore, the photocatalytic formation of hydroperoxide under oxygenated condition has been recorded utilizing Attenuated Total Reflection Fourier Transformed Infrared (ATR-FTIR) spectroscopy which appeared as new band at 3483 cm(-1). Different possible mechanisms are discussed in terms of the source of hydroxyl groups formed and/or hydration water on the TiO2 surface for the photocatalytic reaction and photoinduced hydrophilicity. PMID:26266701

  8. ATR-FTIR spectroscopic characterization of coexisting carbonate surface complexes on hematite

    Science.gov (United States)

    Bargar, J.R.; Kubicki, J.D.; Reitmeyer, R.; Davis, J.A.

    2005-01-01

    The speciation of carbonate adsorbed to hematite in air-equilibrated aqueous solutions has been studied using ATR-FTIR spectroscopy. Samples were measured over a range of pH conditions, at 0.1 M NaCl and at low ionic strength, and in H2O and D2O solutions to permit a multispecies analysis of the data. Second-derivative analyses and fits to the spectra indicate the presence of two major and two minor surface-bound carbonate species. The two major complexes coexist at near-neutral pH and low ionic strength. One of these two complexes is relatively sensitive to ionic strength, being displaced at 0.1 M NaCl, whereas the other is not. Comparison of experimental to DFT/MO-calculated frequencies suggest these two major species to be (a) a monodentate binuclear inner-sphere carbonate surface complex, and (b) a fully or partially solvated carbonate (CO32-) species that is symmetry broken and appears to reside in the structured vicinal water layers at the hematite-water interface, retained by hydrogen bonding and/or other forces. Minor carbonate complexes include diffuse layer CO32- and an unidentified inner-sphere species. Both of the dominant species observed here are likely to be significant controls of the surface charge and sorptive properties of Fe-oxides. Copyright ?? 2005 Elsevier Ltd.

  9. ATR-FTIR spectroscopic studies on density changes of fused silica induced by localized CO2 laser treatment

    Institute of Scientific and Technical Information of China (English)

    张传超; 郑万国; 袁晓东; 张丽娟; 廖威; 晏中华; 陈静; 蒋一岚; 王海军; 栾晓雨; 叶亚云

    2015-01-01

    Surface density changes of the central region of the sites treated by using the CO2 laser-based non-evaporative dam-age mitigation for fused silica are investigated by the attenuated total reflectance-Fourier transform infrared spectroscopy (ATR-FTIR). The ATR-FTIR peak shifts of the treated sites of fused silica are monitored to determine the changes of the corresponding density. For the quenching treated sites, the surface density is increased by (0.24±0.01)%compared with the initial density, but the laser annealing by the exposure of a power ramp down after damage mitigation effectively suppresses the structural changes of treated sites, which could reduce the increase of the corresponding density to (0.08±0.01)%. The results provide the sufficient evidence that the laser annealing by a power ramp down after damage mitigation has a positive effect on the control of the structural change induced by CO2 laser-based damage mitigation.

  10. Two-dimensional ATR-FTIR Spectroscopic Study on the Water Diffusion Behavior in Polyimide/Silica Nanocomposite

    Science.gov (United States)

    Shen, Yi; Wang, Hai-tao; Zhong, Wei; Wu, Pei-yi

    2006-12-01

    To consider the reliability and performance of electronic devices based on polyimide derivatives, dynamic water sorption and diffusion behavior in a polyimide derivative: poly(4'4-oxydiphenylene pyromellitimide) (PMDA-ODA)/silica nanocomposite was investigated by two-dimensional ATR-FTIR spectroscopy, by which three states of water molecules owning different H-bonding strength were distinguished. The amounts and strength of H-bonding also played a significant role in determining the diffusion rate of the different states of water molecules. The type of aggregated water molecules which also formed H-bonding with silicic acid (residues) or polyimide system was the last one diffusing to the polymer side in contact with the ATR crystal element because the polymeric matrix blocked their diffusion to a great extent. The diffusion coefficient was also estimated to gain the information of the dynamic diffusion behavior.

  11. Formulation and drug-content assay of microencapsulated antisense oligonucleotide to NF-κB using ATR-FTIR

    International Nuclear Information System (INIS)

    Antisense oligonucleotide to NF-κB sequence: 5′-GGA AAC ACA TCC TCC ATG-3′, was microencapsulated in an albumin matrix by the method of spray dryingTM. Spectral analysis was performed on varying drug loading formulations of both drugs by mid-IR attenuated total reflectance-Fourier transform infrared spectroscopy (ATR-FTIR). An out of plane O–H bending vibration at 948 cm−1, unique to both the native and microencapsulated drugs was identified. The calculated peak areas corresponded to the drug loadings in the microsphere formulations. A standard curve could then be used to determine the drug content of an unknown microsphere formulation. Accuracy and precision were determined to be comparable to other analytical techniques such as HPLC. (paper)

  12. Formulation and drug-content assay of microencapsulated antisense oligonucleotide to NF-κB using ATR-FTIR

    Science.gov (United States)

    Siwale, Rodney; Meadows, Fred; Mody, Vicky V.; Shah, Samit

    2013-09-01

    Antisense oligonucleotide to NF-κB sequence: 5‧-GGA AAC ACA TCC TCC ATG-3‧, was microencapsulated in an albumin matrix by the method of spray dryingTM. Spectral analysis was performed on varying drug loading formulations of both drugs by mid-IR attenuated total reflectance-Fourier transform infrared spectroscopy (ATR-FTIR). An out of plane O-H bending vibration at 948 cm-1, unique to both the native and microencapsulated drugs was identified. The calculated peak areas corresponded to the drug loadings in the microsphere formulations. A standard curve could then be used to determine the drug content of an unknown microsphere formulation. Accuracy and precision were determined to be comparable to other analytical techniques such as HPLC.

  13. ATR-FTIR characterization of transport properties of benzoic acid ion-pairs in silicone membranes.

    Science.gov (United States)

    Tantishaiyakul, Vimon; Phadoongsombut, Narubodee; Wongpuwarak, Wibul; Thungtiwachgul, Jatupit; Faroongsarng, Damrongsak; Wiwattanawongsa, Kamonthip; Rojanasakul, Yon

    2004-09-28

    A novel technique based on Attenuated Total Reflectance Fourier Transform Infrared (ATR-FTIR) spectroscopy was used to study the transport of benzoic acid ion-pairs/salts in silicone membranes. The benzoic acid ion-pairs were prepared using various counter-ions with different degrees of lipophilicity, e.g. triethylamine (TA), diethylamine (DE), tert-butylamine (t-BA), 2-amino-2-methyl-propanol (AMP), and 2-amino-2-methyl-propanediol (AMPD). Silicone membrane, treated or untreated with propylene glycol (PG), was placed on the surface of a ZnSe crystal and the transport solution was applied to the upper surface of the membrane. A mathematical model, based on Fick's second law describing the build up of permeant concentration at the membrane/crystal interface with time was applied to determine diffusion coefficients. Absorption due to the acid (1700 cm(-1)) or benzoate anion (1555 cm(-1)) was observed at different regions without the interference from PG or silicone membrane. Benzoate anion, a charged species, was observed to permeate the membrane. The permeation of benzoate anion from sodium benzoate and polar ion-pairs of AMP and AMPD was very low in contrast to their high-saturated concentrations in PG as compared to the t-BA ion-pair. This indicated that benzoate anion preferentially permeates the membrane as an ion-pair rather than a single anion; otherwise its permeation should correspond to its concentration in PG instead of the lipophilicity of the ion-pairs. Additionally, the diffusion coefficient values of benzoic acid and benzoate anions through the treated and untreated membranes were not statistically different. PMID:15363507

  14. Study of consumer fireworks post-blast residues by ATR-FTIR.

    Science.gov (United States)

    Martín-Alberca, Carlos; Zapata, Félix; Carrascosa, Héctor; Ortega-Ojeda, Fernando E; García-Ruiz, Carmen

    2016-03-01

    Specific analytical procedures are requested for the forensic analysis of pre- and post-blast consumer firework samples, which present significant challenges. Up to date, vibrational spectroscopic techniques such as Fourier transform infrared spectroscopy (FTIR) have not been tested for the analysis of post-blast residues in spite of their interesting strengths for the forensic field. Therefore, this work proposes a simple and fast procedure for the sampling and analysis of consumer firework post-blast residues by a portable FTIR instrument with an Attenuated Total Reflection (ATR) accessory. In addition, the post-blast residues spectra of several consumer fireworks were studied in order to achieve the identification of their original chemical compositions. Hence, this work analysed 22 standard reagents usually employed to make consumer fireworks, or because they are related to their combustion products. Then, 5 different consumer fireworks were exploded, and their residues were sampled with dry cotton swabs and directly analysed by ATR-FTIR. In addition, their pre-blast fuses and charges were also analysed in order to stablish a proper comparison. As a result, the identification of the original chemical compositions of the post-blast samples was obtained. Some of the compounds found were potassium chlorate, barium nitrate, potassium nitrate, potassium perchlorate or charcoal. An additional study involving chemometric tools found that the results might greatly depend on the swab head type used for the sampling, and its sampling efficiency. The proposed procedure could be used as a complementary technique for the analysis of consumer fireworks post-blast residues. PMID:26717839

  15. Investigation of aged Asian dust particles by the combined use of quantitative ED-EPMA and ATR-FTIR imaging

    Directory of Open Access Journals (Sweden)

    Y.-C. Song

    2013-03-01

    Full Text Available In our previous works, it was demonstrated that the combined use of quantitative energy-dispersive electron probe X-ray microanalysis (ED-EPMA, which is also known as low-Z particle EPMA, and attenuated total reflectance Fourier transform infrared spectroscopy (ATR-FTIR imaging has great potential for a detailed characterization of individual aerosol particles. In this study, extensively chemically modified (aged individual Asian dust particles collected during an Asian dust storm event on 11 November 2002 in Korea were characterized by the combined use of low-Z particle EPMA and ATR-FTIR imaging. Overall, 109 individual particles were classified into four particle types based on their morphology, elemental concentrations, and molecular species and/or functional groups of individual particles available from the two analytical techniques: Ca-containing (38%, NaNO3-containing (30%, silicate (22%, and miscellaneous particles (10%. Among the 41 Ca-containing particles, 10, 8, and 14 particles contained nitrate, sulfate, and both, respectively, whereas only two particles contained unreacted CaCO3. Airborne amorphous calcium carbonate (ACC particles were observed in this Asian dust sample for the first time, where their IR peaks for the insufficient symmetric environment of CO32− ions of ACC were clearly differentiated from those of crystalline CaCO3. This paper also reports the first inland field observation of CaCl2 particles probably converted from CaCO3 through the reaction with HCl(g. HCl(g was likely released from the reaction of sea salt with NOx/HNO3, as all 33 particles of marine origin contained NaNO3 (no genuine sea salt particle was encountered. Some silicate particles with minor amounts of calcium were observed to be mixed with nitrate, sulfate, and water. Among 24 silicate particles, 10 particles are mixed with water, the presence of which could facilitate atmospheric heterogeneous reactions of silicate particles including swelling

  16. Adsorption of Lysine on Na-Montmorillonite and Competition with Ca(2+): A Combined XRD and ATR-FTIR Study.

    Science.gov (United States)

    Yang, Yanli; Wang, Shengrui; Liu, Jingyang; Xu, Yisheng; Zhou, Xiaoyun

    2016-05-17

    Lysine adsorption at clay/aqueous interfaces plays an important role in the mobility, bioavailability, and degradation of amino acids in the environment. Knowledge of these interfacial interactions facilitates our full understanding of the fate and transport of amino acids. Here, X-ray diffraction (XRD) and attenuated total reflectance Fourier-transform infrared spectroscopy (ATR-FTIR) measurements were used to explore the dynamic process of lysine adsorption on montmorillonite and the competition with Ca(2+) at the molecular level. Density functional theory (DFT) calculations were employed to determine the peak assignments of dissolved lysine in the solution phase. Three surface complexes, including dicationic, cationic, and zwitterionic structures, were observed to attach to the clay edge sites and penetrate the interlayer space. The increased surface coverage and Ca(2+) competition did not affect the interfacial lysine structures at a certain pH, whereas an elevated lysine concentration contributed to zwitterionic-type coordination at pH 10. Moreover, clay dissolution at pH 4 could be inhibited at a higher surface coverage with 5 and 10 mM lysine, whereas the inhibition effect was inconspicuous or undetected at pH 7 and 10. The presence of Ca(2+) not only could remove a part of the adsorbed lysine but also could facilitate the readsorption of dissolved Si(4+) and Al(3+) and surface protonation. Our results provide new insights into the process of lysine adsorption and its effects on montmorillonite surface sites. PMID:27118104

  17. Fluorescence, CD, attenuated total reflectance (ATR) FTIR, and sup 13 C NMR characterization of the structure and dynamics of synthetic melittin and melittin analogues in lipid environments

    Energy Technology Data Exchange (ETDEWEB)

    Weaver, A.J.; Prendergast, F.G. (Mayo Foundation, Rochester, MN (United States)); Kemple, M.D. (Indiana Univ.-Purdue Univ., Indianapolis (United States)); Brauner, J.W.; Mendelsohn, R. (Rutgers, The State Univ. of New Jersey, Newark (United States))

    1992-02-11

    The structure and dynamics of synthetic melittin (MLT) and MLT analogues bound to monomyristoylphosphatidylcholine micelles, dimyristoylphosphatidylcholine vesicles, and diacylphosphatidylcholine films have been investigated by fluorescence, CD, attenuated total reflectance (ATR) FTIR, and {sup 13}C NMR spectroscopy. All of these methods provide information about peptide secondary structure and/or about the environment of the single tryptophan side chain in these lipid environments. ATR-FTIR data provide additional information about the orientation of helical peptide segments with respect to the bilayer plane. Steady-state fluorescence anisotropy, fluorescence lifetime, and {sup 13}C NMR relaxation data are used in concert to provide quantitative information about the dynamics of a single {sup 13}C{alpha}-labeled glycine incorporated into each of the MLT peptides at position 12. The cumulative structural and dynamic data are consistent with a model wherein the N-terminal {alpha}-helical segment of these peptides is oriented perpendicular to the bilayer plane. Correlation times for the lysolipid-peptide complexes provide evidence for binding of a single peptide monomer per micelle. A model for the membranolytic action of MLT and MLT-like peptides is proposed.

  18. Evaluating drug delivery with salt formation: Drug disproportionation studied in situ by ATR-FTIR imaging and Raman mapping.

    Science.gov (United States)

    Ewing, Andrew V; Wray, Patrick S; Clarke, Graham S; Kazarian, Sergei G

    2015-01-01

    Two different vibrational spectroscopic approaches, ATR-FTIR spectroscopic imaging and Raman mapping, were used to investigate the components within a tablet containing an ionised drug during dissolution experiments. Delivering certain drugs in their salt form is a method that can be used to improve the bioavailability and dissolution of the poorly aqueous soluble materials. However, these ionised species have a propensity to covert back to their thermodynamically favourable free acid or base forms. Dissolution experiments of the ionised drug in different aqueous media resulted in conversion to the more poorly soluble free acid form, which is detrimental for controlled drug release. This study investigates the chemical changes occurring to formulations containing a development ionised drug (37% by weight), in different aqueous pH environments. Firstly, dissolution in a neutral medium was studied, showing that there was clear release of ionised monosodium form of the drug from the tablet as it swelled in the aqueous medium. There was no presence of any drug in the monohydrate free acid form detected in these experiments. Dissolution in an acidic (0.1M HCl) solution showed disproportionation forming the free acid form. Disproportionation occurred rapidly upon contact with the acidic solution, initially resulting in a shell of the monohydrate free acid form around the tablet edges. This slowed ingress of the solution into the tablet before full conversion of the ionised form to the free acid form was characterised in the spectroscopic data. PMID:25910459

  19. ATR-FTIR and UV-Vis Spectroscopic Studies of Aqueous U(IV)-oxalate Complexes under Mild Acidic Conditions

    International Nuclear Information System (INIS)

    The redox transformation process between U(VI) and U(IV) likely involves the participation of soluble or dissolved U(IV) species, such as U(IV)-hydroxo compounds and organic/inorganic ligand complexes. However, their role in the redox process has not been well documented, partly due to the ready oxidation of soluble U(IV) species, and partly due to the assumption that soluble or dissolved forms of U(IV) account for only a minor fraction of uranium in groundwater systems. In this study, a bidentate chelate ligand, oxalate (Ox) was selected to examine the complexation behaviors of U(IV) and ultimately its impact on the U(IV) solubility in mildly acidic solutions. Although some early studies reported that oxalate and pyrophosphate, i. e., multivalent anions, can form soluble U(IV) complexes, the related thermodynamic data and evidences for chemical speciation are very scarce. In our previous work, the U(IV)-Ox 1:1 complex was identified by monitoring the gradual transition of the characteristic absorption spectrum of U(OH)3+ to that of UOx2+ upon the addition of oxalate at pH 1.6.2.0. This work aims to further provide spectroscopic evidence for the formation of multi-ligand complexes, i. e., U(Ox)n4-2n (n ≥ 2) at pH 2-5 using attenuated total reflectance (ATR)- FTIR spectroscopy and UV-Vis absorption spectroscopy. The solid phase of U(IV)-Ox complex system was also characterized through an XRD analysis. Analysis of the FTIR spectra is found to be useful to determine the complexation stoichiometry and to obtain the structural information of the complexes. The outcome of the spectroscopic analysis for the multi-ligand complexation equilibria will be discussed in detail

  20. The degradation potential of PET bottles in the marine environment: An ATR-FTIR based approach

    Science.gov (United States)

    Ioakeimidis, C.; Fotopoulou, K. N.; Karapanagioti, H. K.; Geraga, M.; Zeri, C.; Papathanassiou, E.; Galgani, F.; Papatheodorou, G.

    2016-03-01

    The dominance and persistence of plastic debris in the marine environment are well documented. No information exists in respect to their lifespan in the marine environment. Nevertheless, the degradation potential of plastic litter items remains a critical issue for marine litter research. In the present study, polyethylene terephthalate bottles (PETs) collected from the submarine environment were characterized using ATR-FTIR in respect to their degradation potential attributed to environmental conditions. A temporal indication was used as indicative to the years of presence of the PETs in the environment as debris. PETs seem to remain robust for approximately fifteen years. Afterwards, a significant decrease of the native functional groups was recorded; some even disappear; or new-not typical for PETs-are created. At a later stage, using the PET time series collected from the Saronikos Gulf (Aegean Sea–E. Mediterranean), it was possible to date bottles that were collected from the bottom of the Ionian Sea (W. Greece). It is the first time that such a study has been conducted with samples that were actually degraded in the marine environment.

  1. ATR-FTIR Studies on the Packing Film%一种包装膜的ATR-FTIR的剖析

    Institute of Scientific and Technical Information of China (English)

    孙瑞卿; 张汉辉; 杨融生

    2001-01-01

    FTIR and ATR-FTIR of the packing film have been studied.The dimension of thickness is about 0.034 m/m,the right and wrong sides of this packing film is composed of polypropylene and polyethylene glycol terephthalate, respectively.%在FTIR中,使用透射谱及水平ATR对进口的一种包装膜进行分析,该膜的厚度大约为0.034 m/m,膜的两面分别由等规聚丙烯和聚对苯二甲酸乙二醇酯组成。

  2. Formation of carboxy- and amide-terminated alkyl monolayers on silicon(111) investigated by ATR-FTIR, XPS, and X-ray scattering: Construction of photoswitchable surfaces

    DEFF Research Database (Denmark)

    Rück-Braun, Karola; Petersen, Michael Åxman; Michalik, Fabian;

    2013-01-01

    -FTIR and XPS studies of the fulgimide samples revealed closely covered amide-terminated SAMs. Reversible photoswitching of the headgroup was read out by applying XPS, ATR-FTIR, and difference absorption spectra in the mid-IR. In XPS, we observed a reversible breathing of the amide/imide C1s and N1s signals...

  3. Improving batch cooling seeded crystallization of an organic weed-killer using on-line ATR FTIR measurement of supersaturation

    Science.gov (United States)

    Lewiner, F.; Févotte, G.; Klein, J. P.; Puel, F.

    2001-06-01

    In previous papers, a method for the calibration of ATR FTIR measurement of dissolved solid concentration during cooling crystallizations was presented, and efficient basic procedures for the determination of solubility and metastability curves were described. The present paper reports new experimental results. The crystallization of an organic product is studied thanks to on-line FTIR measurements of supersaturation and off-line crystal size distribution (CSD) determinations. The obtained information is shown to potentially allow a deeper examination of major industrial issues such as the reduction of batch-to-batch variations and the improvement of the CSD of the final particles. A particular attention is focused on the determination of appropriate seeding parameters such as the cooling rate of seeded slurries, the temperature of introduction and the amount of seed. The results obtained demonstrate that, although any modelling approach is outside the scope of this paper, the analysis of the measured supersaturation profiles allows some interpretation of mechanisms governing the final CSD, and consequently, the proposal of improved operating parameters.

  4. Ablation of burned skin with ultra-short pulses laser to promote healing: evaluation by optical coherence tomography, histology, μATR-FTIR and Nonlinear Microscopy

    International Nuclear Information System (INIS)

    Burns cause changes in the anatomical structure of the skin associated with trauma. The severity of the burn injury is divided into first, second and third-degree burns. The third-degree burns have been a major focus of research in search of more conservative treatments and faster results in repair for a functional and cosmetically acceptable. The conventional treatment is the use of topical natural or synthetic skin graft. An alternative therapy is the laser ablation process for burned tissue necrosis removal due to the no mechanical contact, fast application and access to difficult areas. The purpose of this study is to evaluate the feasibility of using high intensity femtosecond lasers as an adjunct treatment of burned patients. For this study, 65 Wistar rats were divided into groups of five animals: healthy skin, burned skin, two types of treatment (surgical debridement or femtosecond laser ablation) and four different times in the healing process monitoring. Three regions of the back of the animals were exposed to steam source causing third-degree burn. On the third day after the burn, one of the regions was ablated with high intensity ultrashort laser pulses (λ = 785 nm, 90 fs, 2 kHz and 10 μJ/ pulse), the other received surgical debridement, and the last was considered the burn control. The regions were analyzed by optical coherence tomography (OCT), histology, attenuated total reflectance infrared spectroscopy using Fourier transform (μ-ATR-FTIR), two-photon excitation fluorescence microscopy (TPEFM) and second harmonic generation technique (SHG) on days 3, 5, 7 and 14 pos-treatments. The results showed that with the laser irradiation conditions used it was possible to remove debris from third degree burn. The techniques used to characterize the tissue allowed to verify that all treatments promoted wound healing. On the fourteenth day, the regeneration curve showed that the attenuation coefficient of laser ablated tissue converges to the values of

  5. Kinetic and Conformational Insights of Protein Adsorption onto Montmorillonite Revealed Using in Situ ATR-FTIR/2D-COS.

    Science.gov (United States)

    Schmidt, Michael P; Martínez, Carmen Enid

    2016-08-01

    Protein adsorption onto clay minerals is a process with wide-ranging impacts on the environmental cycling of nutrients and contaminants. This process is influenced by kinetic and conformational factors that are often challenging to probe in situ. This study represents an in situ attenuated total reflectance Fourier transform infrared (ATR-FTIR) spectroscopic investigation of the adsorption of a model protein (bovine serum albumin (BSA)) onto a clay mineral (montmorillonite) at four concentrations (1.50, 3.75, 7.50, and 15.0 μM) under environmentally relevant conditions. At all concentrations probed, FTIR spectra show that BSA readily adsorbs onto montmorillonite. Adsorption kinetics follow an Elovich model, suggesting that primary limitations on adsorption rates are surface-related heterogeneous energetic restrictions associated with protein rearrangement and lateral protein-protein interaction. BSA adsorption onto montmorillonite fits the Langmuir model, yielding K = 5.97 × 10(5) M(-1). Deconvolution and curve fitting of the amide I band at the end of the adsorption process (∼120 min) shows a large extent of BSA unfolding upon adsorption at 1.50 μM, with extended chains and turns increasing at the expense of α-helices. At higher concentrations/surface coverages, BSA unfolding is less pronounced and a more compact structure is assumed. Two-dimensional correlation spectroscopic (2D-COS) analysis reveals three different pathways corresponding to adsorbed conformations. At 1.50 μM, adsorption increases extended chains, followed by a loss in α-helices and a subsequent increase in turns. At 3.75 μM, extended chains decrease and then aggregated strands increase and side chains decrease, followed by a decrease in turns. With 7.50 and 15.0 μM BSA, the loss of side-chain vibrations is followed by an increase in aggregated strands and a subsequent decrease in turns and extended chains. Overall, the BSA concentration and resultant surface coverage have a profound

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

    Science.gov (United States)

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

    2016-01-01

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

  7. Radiation Induced Aging Effects in Polymeric Cable Insulators at CERN. Compilation of the DSC and ATR-FTIR data on irradiated CERN cables.

    CERN Document Server

    Sorin, I

    2009-01-01

    This second part of the Report on Radiation Induced Aging Effects in Polymeric Cable Insulators at CERN [1] summarizes in a tabulated form all the experimental DSC results obtained in this work, concerning the life-time evaluation of the selected CERN cables irradiated in different conditions. Several examples of DSC curves and ATR-FTIR spectra were included to support the future polymeric materials analysis. Information on the experimental conditions, the instruments, the basic concept of life-time evaluation using the DSC data, as well as the examples of data processing and interpretation are presented and discussed in reference [1].

  8. SB-ATR FTIR Spectroscopic Monitoring of Free Fatty Acids in Commercially Available Nigella sativa (Kalonji) Oil

    OpenAIRE

    2014-01-01

    Free fatty acids (FFA) in Nigella sativa (N. sativa) commercial and seed oil were determined using single-bounce attenuated total reflectance (SB-ATR) Fourier transform infrared (FTIR) spectroscopy. Gravimetrical mixing was done by adding 0.1–40% oleic acids in neutralized N. sativa oil containing 0.1% FFA. FTIR spectroscopy technique and partial least square (PLS) calibration were used to detect the absorption region of carbonyl (C=O) which is in the range of 1690–1727 cm−1. The results of P...

  9. Quantification of pure refined olive oil adulterant in extra virgin olive oil using diamond cell atr-ftir spectroscopy

    International Nuclear Information System (INIS)

    The present study depicts spectroscopic method development to deliver a rapid, simple and reproducible quantification of pure refined olive oil (PROO) adulterant in extra virgin olive oil (EVOO) using partial least square (PLS) regression (statistical parameter). Single bounce attenuated total reflectance (SB-ATR) Fourier transform infrared (FTIR) was choice in the developed method. Blended standards of PROO and EVOO were obtained by their weight by weight percentage and the values were used to construct calibration curves for quantification. The optimum regression values (i.e. >0.99) were achieved using the combined frequencies of 3105-2761, 1838-1687, and 1482-440 cm-1 with regression coefficients (R2) 0.99718 and achieved residual mean square error of calibration (RMSEC) 1.40% w/w. To determine the suitability of developed method principal component spectra (PCS) diagnostic was also used. The results of the present study prove that the developed methods reported in preceding studies can be good option for more rapid and accurate determination of PROO adulteration in EVOO. (author)

  10. Investigation on the adsorption characteristics of sodium benzoate and taurine on gold nanoparticle film by ATR-FTIR spectroscopy

    Science.gov (United States)

    Kumar, Naveen; Thomas, S.; Tokas, R. B.; Kshirsagar, R. J.

    2014-01-01

    Fourier transform infrared (FTIR) spectroscopic studies of sodium benzoate and taurine adsorbed on gold nanoparticle (AuNp) film on silanised glass slides have been studied by attenuated total reflection technique (ATR). The surface morphology of the AuNp films has been measured by Atomic Force Microscopy. The ATR spectra of sodium benzoate and taurine deposited on AuNp film are compared with ATR spectra of their powdered bulk samples. A new red-shifted band appeared along with the symmetric and asymmetric stretches of carboxylate group of sodium benzoate leading to a broadening of the above peaks. Similar behavior is also seen in the case of symmetric and asymmetric stretches of sulphonate group of taurine. The results indicate presence of both chemisorbed and physisorbed layers of both sodium benzoate and taurine on the AuNp film with bottom layer chemically bound to AuNp through carboxylate and sulphonate groups respectively.

  11. Quickly Identifying Different Species of Lavender Essential Oils by ATR-FTIR Coupled to PCA and DPLS%ATR-FTIR结合PCA及DPLS快速识别不同品种薰衣草精油

    Institute of Scientific and Technical Information of China (English)

    童红; 唐军; 张正方

    2014-01-01

    筛选有代表性的4个不同品种的96个薰衣草精油样品为试验对象,应用衰减全反射傅里叶变换红外光谱(ATR-FTIR)获得光谱数据,在主成分分析的基础上采用偏最小二乘辨别法(DPLS)建立薰衣草精油品种识别的模型。结果表明:主成分分析基本能实现品种区分,DPLS 法以68个样本作为校正集,交叉验证均方根标准差(RMSEE)为0.1590,以未知的28个样本进行预测,预测均方根标准差(RMSEP)为0.1860,品种识别率为100%,DPLS 法建立的模型对薰衣草精油品种有很好的识别和分类能力。将红外光谱与化学计量学方法结合,可为薰衣草精油品种的优良宏观质控提供一个快速、直观、可行的方法。%Use Attenuated Total Reflectance Fourier Transform Infrared Spectroscopy (ATR-FTIR) to obtain spectral data for classification according to lavender oil cultivars,as a tool to guarantee varie-tal authenticity.96 samples belong to four most representative lavender cultivars.On the basis of PCA,its performance is also compared with that obtained using DPLS model.The results show that PCA can basically discriminate lavender oil cultivar.68 samples are as a calibration set in DPLS method,the RMSEE is 0.1590,28 unknown samples are as predictive samples,the RMSEP is 0. 1860;the correct identification rate of species is 100%.Based on these two data sets only,it seems that the DPLS method is the best of those considered here.The result indicates that a model which provides a quick,intuitive and feasible method has been built to discriminate lavender oils by using ATR-FTIR method combined with chemometrics techniques.

  12. ATR-FTIR Based Pre and Post Formulation Compatibility Studies for the Design of Niosomal Drug Delivery System Containing Nonionic Amphiphiles and Chondroprotective Drug

    International Nuclear Information System (INIS)

    Pharmaceutical compatibility studies are considered as the most important and first screening stage during development of pharmaceutical drug product. Attenuated total reflectance/fourier transform infrared (ATR-FTIR) is one of the techniques currently available to pharmaceutical scientists for investigating the compatibilities between active drug and inactive pharmaceutical ingredients. The present study was designed to assess the interaction among different niosomes forming components i.e nonionic amphiphiles and chondroprotective/antiinflamatory drug Diacerein by ATR-FTIR method. Physical mixtures and niosomes were prepared by physical mixing and thin film hydration method, respectively. The individual niosomal components, physical mixtures as well as niosomal formulations were analyzed. The spectra of Diacerein showed characteristic peaks at 3300 cm/sup -1/(-COOH) and 760 cm/sup -1/(msubstituted benzene), Span 60 at 2916 cm/sup -1/(-OH), Span 80 at 1740 cm/sup -1/(5- membered ring), Span 85 at 1643 cm/sup -1/(ketone with 5-membered ring), Tween 20 at 1734 cm/sup 1/ (5-membered ring) and Tween 80 at 3488 cm/sup -1/(-OH). The characteristic peaks of Diacerein were present in niosomal formulations with slight shift at 3355-3379 cm/sup -1/(-COOH) and 760-770 cm/sup -1/(m-substituted benzene). This work suggested no significant interaction in characteristic peaks of Diacerein after combining with nonionic surfactants as physical mixtures and niosomal formulations which proposed potential for niosomes to encapsulate diacerein in their micro vicinity. (author)

  13. ATR-FTIR and XPS study on the structure of complexes formed upon the adsorption of simple organic acids on aluminum hydroxide

    Institute of Scientific and Technical Information of China (English)

    GUAN Xiao-hong; CHEN Guang-hao; SHANG Chii

    2007-01-01

    Information on the binding of organic ligands to metal (hydr)oxide surfaces is useful for understanding the adsorption behaviour of natural organic matter (NOM) on metal (hydr)oxide. In this study, benzoate and salicylate were employed as the model organic ligands and aluminum hydroxide as the metal hydroxide. The attenuated total reflectance Fourier transform infrared (ATR-FTIR) spectra revealed that the ligands benzoate and salicylate do coordinate directly with the surface of hydrous aluminum hydroxide, thereby forming inner-sphere surface complexes. It is concluded that when the initial pH is acidic or neutral, monodentate and bridging complexes are to be formed between benzoate and aluminum hydroxide while bridging complexes predominate when the initial pH is alkalic. Monodentate and bridging complexes can be formed at pH 5 while precipitate and bridging complexes are formed at pH 7 when salicylate anions are adsorbed on aluminum hydroxide. The X-ray photoelectron (XP) spectra demonstrated the variation of C 1s binding energy in the salicyate and phenolic groups before and after adsorption. It implied that the benzoate ligands are adsorbed through the complexation between carboxylate moieties and the aluminum hydroxide surface, while both carboxylate group and phenolic group are involved in the complexation reaction when salicylate is adsorbed onto aluminum hydroxide. The information offered by the XPS confirmed the findings obtained with ATR-FTIR.

  14. Ablation of burned skin with ultra-short pulses laser to promote healing: evaluation by optical coherence tomography, histology, {mu}ATR-FTIR and Nonlinear Microscopy; Ablacao de pele queimada com laser de pulsos ultra-curtos para promocao da cicatrizacao: avaliacao por tomografia por coerencia optica, histologia, {mu}ATR-FTIR e microscopia nao-linear

    Energy Technology Data Exchange (ETDEWEB)

    Santos, Moises Oliveira dos

    2012-07-01

    Burns cause changes in the anatomical structure of the skin associated with trauma. The severity of the burn injury is divided into first, second and third-degree burns. The third-degree burns have been a major focus of research in search of more conservative treatments and faster results in repair for a functional and cosmetically acceptable. The conventional treatment is the use of topical natural or synthetic skin graft. An alternative therapy is the laser ablation process for burned tissue necrosis removal due to the no mechanical contact, fast application and access to difficult areas. The purpose of this study is to evaluate the feasibility of using high intensity femtosecond lasers as an adjunct treatment of burned patients. For this study, 65 Wistar rats were divided into groups of five animals: healthy skin, burned skin, two types of treatment (surgical debridement or femtosecond laser ablation) and four different times in the healing process monitoring. Three regions of the back of the animals were exposed to steam source causing third-degree burn. On the third day after the burn, one of the regions was ablated with high intensity ultrashort laser pulses ({lambda} = 785 nm, 90 fs, 2 kHz and 10 {mu}J/ pulse), the other received surgical debridement, and the last was considered the burn control. The regions were analyzed by optical coherence tomography (OCT), histology, attenuated total reflectance infrared spectroscopy using Fourier transform ({mu}-ATR-FTIR), two-photon excitation fluorescence microscopy (TPEFM) and second harmonic generation technique (SHG) on days 3, 5, 7 and 14 pos-treatments. The results showed that with the laser irradiation conditions used it was possible to remove debris from third degree burn. The techniques used to characterize the tissue allowed to verify that all treatments promoted wound healing. On the fourteenth day, the regeneration curve showed that the attenuation coefficient of laser ablated tissue converges to the values

  15. Rapid detection of melamine adulteration in dairy milk by SB-ATR-Fourier transform infrared spectroscopy.

    Science.gov (United States)

    Jawaid, Sana; Talpur, Farah N; Sherazi, S T H; Nizamani, Shafi M; Khaskheli, Abid A

    2013-12-01

    Melamine is a nitrogenous chemical substance used principally as a starting material for the manufacture of synthetic resins. Due to its very high proportion of nitrogen melamine has been added illegitimately to foods and feeds to increase the measured protein content, which determines the value of the product. These issues prompted private as well as governmental laboratories to develop methods for the analysis of melamine in a wide variety of food products and ingredients. Owing to this fact present study is aimed to use single bounce attenuated total reflectance (SB-ATR) Fourier transform infrared spectroscopy (FTIR) method as an effective rapid tool for the detection and quantification of melamine in milk (liquid and powder). Partial least-squares (PLS) models were established for correlating spectral data to melamine concentration with R(2)>0.99, and RMSEC 0.370. Linear calibration curves were obtained over the calibration range of 25-0.0625%. The LOD and LOQ of the method was 0.00025% (2.5 ppm) and 0.0015% (15 ppm) respectively. Proposed SB-ATR-FTIR method requires little or no sample preparation with an assay time of 1-2 min. PMID:23871060

  16. Coherent detection spectroscopy

    NARCIS (Netherlands)

    Bueren, H.G. van

    1969-01-01

    Various methods of optical spectroscopy are compared, with special emphasis on resolution and acceptance of the systems. It is shown that coherent detection with a laser as a local oscillator has important advantages for specific applications in astronomical spectroscopy and interferometry, especial

  17. Kinetic Parameters during Bis-GMA and TEGDMA Monomer Polymerization by ATR-FTIR: The Influence of Photoinitiator and Light Curing Source

    Directory of Open Access Journals (Sweden)

    Aline B. Denis

    2016-01-01

    Full Text Available This study aimed to analyze the kinetic parameters of two monomers using attenuated total reflectance Fourier transform infrared (ATR-FTIR: 2,2-bis-[4-(2-hydroxy-3-methacryloxypropyl-1-oxy-phenyl] propane (Bis-GMA and triethylene glycol dimethacrylate (TEGDMA. The following were calculated to evaluate the kinetic parameters: maximum conversion rate (Rpmax, time at the maximum polymerization rate (tmax, conversion at Rpmax, and total conversion recorded at the maximum conversion point after 300 s. Camphorquinone (CQ and phenyl propanedione (PPD were used in this study as photoinitiators, whereas N,N-dimethyl-p-toluidine (DMPT amine was used as a coinitiator. LED apparatus and halogen lamp were used in turn to evaluate the effect that light source had on the monomer kinetics. The mass concentration ratio for the three resin preparations was 0.7 : 0.3 for Bis-GMA and TEGDMA: R1 (CQ + DMPT, R2 (PPD + DMPT, and R3 (PPD + CQ + DMPT. The PPD association with the CQ photoinitiator altered the polymerization kinetics compared to a resin containing only the CQ photoinitiator. The light sources exhibited no significant differences for tmax of R1 and R3. Resins containing only the PPD initiator exhibited a higher tmax than those containing only CQ. However, the Rpmax decreased for resins containing the PPD photoinitiator.

  18. Infrared spectroscopy as a clinical diagnostic method for detection of disease states: developments and applications in kidney diseases and cancer diagnoses

    OpenAIRE

    Oliver, K. V.

    2015-01-01

    ATR-FTIR spectroscopy has been used to develop rapid and accurate methods for urine analyses and cancer diagnoses. Complications associated with analyses of dried samples by FTIR spectroscopy were found to arise because of the existence of partial hydration states of some substances. Recognition and accommodation of such states is necessary to ensure precise deconvolution of spectra. Dramatic hydration effects were observed in the IR spectrum of urea. Four forms of urea were identified in IR ...

  19. Glycerol-Induced Aggregation of the Oligomeric L-Asparaginase II from E. coli Monitored with ATR-FTIR

    Directory of Open Access Journals (Sweden)

    Koba Adeishvili

    2001-06-01

    Full Text Available Abstract: In this paper attenuated total reflectance Fourier transform infrared spectroscopy has been employed for the study of the structural composition of aggregates of the oligomeric L-asparaginase II from E.coli formed in the presence of glycerol after the induction of refolding of the protein. Apart from the perfect coincidence of the secondary structure composition of EcA2 as determined by FTIR and crystallography [1], it has also been shown that secondary structure of protein in asparaginase deposits is similar to that of the native conformation: 20.7% extended, 22.3% disordered, 31.4% helix and 25.6% turn/bend/β sheet. Certain structural similarities in the range of experimental error was observed for all three protein deposits presented in this paper, indicating a common structural basis for the composition of this types of aggregates. It is concluded that in the constitution of such precipitates, a partially folded (molten globule like state(s is involved, and its stabilisation is a key factor leading to the aggregation. The results presented in this paper might serve to be a good explanation and an excellent basis for the fundamental theory of protein (oligomers precipitation by osmotic substances.

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

    Institute of Scientific and Technical Information of China (English)

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

    2016-01-01

    Although many techniques are available to assess enamel erosion in vitro, a simple, non-destructive method with sufficient sensitivity for quantifying dental erosion is required. This study characterized the bovine dental enamel erosion induced by various acidic beverages in vitro using attenuated total reflection Fourier transform infrared (ATR-FTIR) spectroscopy. Deionized water (control) and 10 acidic beverages were selected to study erosion, and the pH and neutralizable acidity were measured. Bovine anterior teeth (110) were polished with up to 1 200-grit silicon carbide paper to produce flat enamel surfaces, which were then immersed in 20 mL of the beverages for 30 min at 37 °C. The degree of erosion was evaluated using ATR-FTIR spectroscopy and Vickers’ microhardness measurements. The spectra obtained were interpreted in two ways that focused on the ν1, ν3 phosphate contour: the ratio of the height amplitude of ν3 PO4 to that of ν1 PO4 (Method 1) and the shift of the ν3 PO4 peak to a higher wavenumber (Method 2). The percentage changes in microhardness after the erosion treatments were primarily affected by the pH of the immersion media. Regression analyses revealed highly significant correlations between the surface hardness change and the degree of erosion, as detected by ATR-FTIR spectroscopy (Po0.001). Method 1 was the most sensitive to these changes, followed by surface hardness change measurements and Method 2. This study suggests that ATRFTIR spectroscopy is potentially advantageous over the microhardness test as a simple, non-destructive, sensitive technique for the quantification of enamel erosion.

  1. Plasma-treated polyethylene film: A smart material applied for Salmonella Typhimurium detection

    International Nuclear Information System (INIS)

    Salmonella is a major cause of foodborne illness worldwide and is not allowed to be present in any food in all countries. The purpose of this study is to develop a simple alternative method for the detection of Salmonella based on functionalized polyethylene (PE) surfaces. Salmonella Typhimurium was used as a model bacterium. PE film was treated using dielectric plasma in order to alter the wettability of the PE surface and consequently introduce functionality on the surface. The PE film characterized by ATR-FTIR spectroscopy revealed the presence of C=O stretching of ketones, aldehydes and carboxylic acids. The antibodies against O or H antigens of Salmonella and S. Typhimurium were then respectively immobilized on the PE surface after activation of the carboxylic group using NHS/EDC followed by protein A. The evidences from ATR-FTIR, scanning electron microscopy and optical microscopy showed the presence of S. Typhimurium attached to the plasma treated PE surfaces via the two types of anti-Salmonella antibody. The plasma treated PE film developed is simple and allows efficient association of bacterial cells on the treated surfaces without the necessity of time-consuming centrifugation and washing steps for isolation of the cells. This material is considered to be a smart material applicable for S. Typhimurium detection. Highlights: ► We developed a functionalized polyethylene film for bacterial detection. ► We modified the surface of polyethylene film by plasma treatment. ► ATR-FTIR spectroscopy was used to analyze the functionality on the PE surface. ► We introduced Salmonella Typhimurium on the modified PE film. ► SEM revealed the presence of S. Typhimurium on the plasma treated PE film.

  2. Plasma-treated polyethylene film: A smart material applied for Salmonella Typhimurium detection

    Energy Technology Data Exchange (ETDEWEB)

    Peng-Ubol, Triranat [Department of Chemistry, Faculty of Science, Mahidol University, Rama 6 Rd, Phayathai, Bangkok 10400 (Thailand); Phinyocheep, Pranee, E-mail: scppo@mahidol.ac.th [Department of Chemistry, Faculty of Science, Mahidol University, Rama 6 Rd, Phayathai, Bangkok 10400 (Thailand); Daniel, Philippe [Laboratoire de Physique de l' Etat Condense (LPEC-UMR CNRS 6087), Universite du Maine, Avenue Olivier Messiaen, 72085, Le Mans Cedex 9 (France); Panbangred, Watanalai [Department of Biotechnology and Mahidol University-Osaka University Collaborative Research Center for Bioscience and Biotechnology (MU-OU: CRC), Faculty of Science, Mahidol University, Rama 6 Rd, Phayathai, Bangkok 10400 (Thailand); Pilard, Jean-Francois [Unite de Chimie Organique Moleculaire et Macromoleculaire (UCO2M-UMR CNRS 6011), Universite du Maine, Avenue Olivier Messiaen, 72085 Le Mans Cedex 9 (France); Thouand, Gerald; Durand-Thouand, Marie-Jose [Genie des Procedes Environnement et Agroalimentaire (GEPEA UMR CNRS 6144), Departement Genie Biologique, IUT de la Roche/Yon, Universite de Nantes, 18 Bd G. Defferre, 85035 La Roche sur Yon (France)

    2012-12-01

    Salmonella is a major cause of foodborne illness worldwide and is not allowed to be present in any food in all countries. The purpose of this study is to develop a simple alternative method for the detection of Salmonella based on functionalized polyethylene (PE) surfaces. Salmonella Typhimurium was used as a model bacterium. PE film was treated using dielectric plasma in order to alter the wettability of the PE surface and consequently introduce functionality on the surface. The PE film characterized by ATR-FTIR spectroscopy revealed the presence of C=O stretching of ketones, aldehydes and carboxylic acids. The antibodies against O or H antigens of Salmonella and S. Typhimurium were then respectively immobilized on the PE surface after activation of the carboxylic group using NHS/EDC followed by protein A. The evidences from ATR-FTIR, scanning electron microscopy and optical microscopy showed the presence of S. Typhimurium attached to the plasma treated PE surfaces via the two types of anti-Salmonella antibody. The plasma treated PE film developed is simple and allows efficient association of bacterial cells on the treated surfaces without the necessity of time-consuming centrifugation and washing steps for isolation of the cells. This material is considered to be a smart material applicable for S. Typhimurium detection. Highlights: Black-Right-Pointing-Pointer We developed a functionalized polyethylene film for bacterial detection. Black-Right-Pointing-Pointer We modified the surface of polyethylene film by plasma treatment. Black-Right-Pointing-Pointer ATR-FTIR spectroscopy was used to analyze the functionality on the PE surface. Black-Right-Pointing-Pointer We introduced Salmonella Typhimurium on the modified PE film. Black-Right-Pointing-Pointer SEM revealed the presence of S. Typhimurium on the plasma treated PE film.

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

    Science.gov (United States)

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

    2009-03-01

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

  4. On-line monitoring of methane hydrate crystallization process in water-in-oil emulsion using in situ ATR-FTIR spectroscopy

    OpenAIRE

    Ouabbas, Yamina; Cameirão, Ana; Herri, Jean-Michel; Glénat, Philippe

    2014-01-01

    The formation of gas hydrates in water-in-oil flowing emulsion was studied in a flow loop pilot at 80 bar and 1°C. The Archimede flow loop (30 m long, 1 cm diameter) has been built to reproduce the thermodynamic and hydrodynamic conditions encountered in pipelines. The crystallization of methane hydrate was investigated for two water contents (5%vol. and 30%vol.) in liquid Kerdane (C1-C14). The hydrate formation was determined from differential pressure drop and temperature measurements and g...

  5. pH Dependence and protein selectivity of poly(ethyleneimine)/poly(acrylic acid) multilayers studied by in situ ATR-FTIR spectroscopy

    Czech Academy of Sciences Publication Activity Database

    Muller, M.; Kessler, B.; Houbenov, N.; Bohatá, Karolína; Pientka, Zbyněk; Brynda, Eduard

    2006-01-01

    Roč. 7, č. 4 (2006), s. 1285-1294. ISSN 1525-7797 Institutional research plan: CEZ:AV0Z40500505 Keywords : polyelectrolyte multilayers * self-assembled monolayers * globular proteins Subject RIV: CD - Macromolecular Chemistry Impact factor: 3.664, year: 2006

  6. In situ probing of surface hydrides on hydrogenated amorphous silicon using attenuated total reflection infrared spectroscopy

    CERN Document Server

    Kessels, W M M; Sanden, M C M; Aydil, E S

    2002-01-01

    An in situ method based on attenuated total reflection Fourier transform infrared spectroscopy (ATR-FTIR) is presented for detecting surface silicon hydrides on plasma deposited hydrogenated amorphous silicon (a-Si:H) films and for determining their surface concentrations. Surface silicon hydrides are desorbed by exposing the a-Si:H films to low energy ions from a low density Ar plasma and by comparing the infrared spectrum before and after this low energy ion bombardment, the absorptions by surface hydrides can sensitively be separated from absorptions by bulk hydrides incorporated into the film. An experimental comparison with other methods that utilize isotope exchange of the surface hydrogen with deuterium showed good agreement and the advantages and disadvantages of the different methods are discussed. Furthermore, the determination of the composition of the surface hydrogen bondings on the basis of the literature data on hydrogenated crystalline silicon surfaces is presented, and quantification of the h...

  7. Evaluation of the moisture prediction capability of near-infrared and attenuated total reflectance fourier transform infrared spectroscopy using superdisintegrants as model compounds.

    Science.gov (United States)

    Uppaluri, Sai G; Bompelliwar, Sai K; Johnson, Paul R; Gupta, Mali R; Al-Achi, Antoine; Stagner, William C; Haware, Rahul V

    2014-12-01

    The superdisintegrants (SDs) moisture content measurement by near-infrared (NIR) spectroscopy and attenuated total reflectance Fourier transform infrared (ATR-FTIR) spectroscopy has been evaluated against thermogravimetric analysis as a reference method. SDs with varying moisture content were used to build calibration and independent model verification data sets. Calibration models were developed based on the water-specific NIR and ATR-FTIR spectral regions using partial least-square regression methods. Because of the NIR water low molar absorptivity, NIR spectroscopy handled higher moisture content (∼81%, w/w) than ATR-FTIR (∼25%, w/w). A two-way ANOVA test was performed to compare R(2) values obtained from measured and predicted moisture content (5%-25%, w/w) of SDs. No statistically significant difference was observed between the predictability of NIR and ATR-FTIR methods (p = 0.3504). However, the interactions between the two independent variables, SDs, and analytical methods were statistically significant (p = 0.0002), indicating that the predictability of the analytical method is material dependent. Thus, it would be important to recognize this highly dependent material and analytical method interaction when using NIR moisture analysis in process analytical technology to analyze and control critical quality and performance attributes of raw materials during processing with the goal of ensuring final product quality attributes. PMID:25332106

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

    Science.gov (United States)

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

    2011-03-01

    As one of the most powerful tools to investigate the compositions of raw materials and the property of pulp and paper, infrared spectroscopy has played an important role in pulp and paper industry. However, the traditional transmission infrared spectroscopy has not met the requirements of the producing processes because of its disadvantages of time consuming and sample destruction. New technique would be needed to be found. Fourier transform attenuated total reflection infrared spectroscopy (ATR-FTIR) is an advanced spectroscopic tool for nondestructive evaluation and could rapidly, accurately estimate the production properties of each process in pulp and paper industry. The present review describes the application of ATR-FTIR in analysis of pulp and paper industry. The analysis processes will include: pulping, papermaking, environmental protecting, special processing and paper identifying. PMID:21595211

  9. Vibrational spectroscopy of proteins

    International Nuclear Information System (INIS)

    Two important steps for the development of a biosensor are the immobilization of the biological component (e.g. protein) on a surface and the enhancement of the signal to improve the sensitivity of detection. To address these subjects, the present work describes Fourier transform infrared (FTIR) investigations of several proteins bound to the surface of an attenuated total reflection (ATR) crystal. Furthermore, new nanostructured surfaces for signal enhancement were developed for use in FTIR microscopy. The mitochondrial redox-protein cytochrome c oxidase (CcO) was incorporated into a protein-tethered bilayer lipid membrane (ptBLM) on an ATR crystal featuring a roughened two-layer gold surface for signal enhancement. Electrochemical excitation by periodic potential pulses at different modulation frequencies was followed by time-resolved FTIR spectroscopy. Phase sensitive detection was used for deconvolution of the IR spectra into vibrational components. A model based on protonation-dependent chemical reaction kinetics could be fitted to the time evolution of IR bands attributed to several different redox centers of the CcO. Further investigations involved the odorant binding protein 14 (OBP14) of the honey bee (Apis mellifera), which was studied using ATR-FTIR spectroscopy and circular dichroism. OBP14 was found to be thermally stable up to 45 °C, thus permitting the potential application of this protein for the fabrication of biosensors. Thermal denaturation measurements showed that odorant binding increases the thermal stability of the OBP-odorant complex. In another project, plasmonic nanostructures were fabricated that enhance the absorbance in FTIR microscopy measurements. The nanostructures are composed of an array of round-shaped insulator and gold discs on top of a continuous gold layer. Enhancement factors of up to ⁓125 could be observed with self-assembled monolayers of dodecanethiol molecules immobilized on the gold surface (author)

  10. Nanomechanical IR spectroscopy for fast analysis of liquid-dispersed engineered nanomaterials

    DEFF Research Database (Denmark)

    Andersen, Alina Joukainen; Yamada, Shoko; Ek, Pramod Kumar;

    2016-01-01

    The proliferated use of engineered nanomaterials (ENMs), e.g. in nanomedicine, calls for novel techniques allowing for fast and sensitive analysis of minute samples. Here we present nanomechanical IR spectroscopy (NAM-IR) for chemical analysis of picograms of ENMs. ENMs are nebulized directly from...... obtained by recording this detuning of the resonator over a range of IR wavelengths. Results recorded using NAM-IR agree well with corresponding results obtained through ATR-FTIR, and remarkably, measurement including sample preparation takes only a few minutes, compared to ∼2 days sample preparation for...... ATR-FTIR. Resonator dimensions play an important role in NAM-IR, a relationship which will be elaborated here....

  11. Fourier transform infrared spectroscopy for the distinction of MCF-7 cells treated with different concentrations of 5-fluorouracil

    OpenAIRE

    WU, BI-BO; Gong, Yi-Ping; Wu, Xin-Hong; Chen, Yuan-Yuan; Chen, Fang-Fang; Jin, Li-Ting; Cheng, Bo-Ran; Hu, Fen; Xiong, Bin

    2015-01-01

    Background In order to provide personalized treatment to patients with breast cancer, an accurate, reliable and cost-efficient analytical technique is needed for drug screening and evaluation of tumor response to chemotherapy. Methods Attenuated total reflectance Fourier transform infrared spectroscopy (ATR-FTIR) was used as a tool to assess cancer cell response to chemotherapy. MCF-7 cells (human breast adenocarcinoma cell line) were treated with different concentrations of 5-fluorouracil (5...

  12. Infrared spectroscopy detects changes in an amphibian cell line induced by fungicides: Comparison of single and mixture effects.

    Science.gov (United States)

    Strong, Rebecca J; Halsall, Crispin J; Jones, Kevin C; Shore, Richard F; Martin, Francis L

    2016-09-01

    Amphibians are regarded as sensitive sentinels of environmental pollution due to their permeable skin and complex life cycle, which usually involves reproduction and development in the aquatic environment. Fungicides are widely applied agrochemicals and have been associated with developmental defects in amphibians; thus, it is important to determine chronic effects of environmentally-relevant concentrations of such contaminants in target cells. Infrared (IR) spectroscopy has been employed to signature the biological effects of environmental contaminants through extracting key features in IR spectra with chemometric methods. Herein, the Xenopus laevis (A6) cell line was exposed to low concentrations of carbendazim (a benzimidazole fungicide) or flusilazole (a triazole fungicide) either singly or as a binary mixture. Cells were then examined using attenuated total reflection Fourier-transform IR (ATR-FTIR) spectroscopy coupled with multivariate analysis. Results indicate significant changes in the IR spectra of cells induced by both agents at all concentrations following single exposures, primarily in regions associated with protein and phospholipids. Distinct differences were apparent in the IR spectra of cells exposed to carbendazim and those exposed to flusilazole, suggesting different mechanisms of action. Exposure to binary mixtures of carbendazim and flusilazole also induced significant spectral alterations, again in regions associated with phospholipids and proteins, but also in regions associated with DNA and carbohydrates. Overall these findings demonstrate that IR spectroscopy is a sensitive technique for examining the effects of environmentally-relevant levels of fungicides at the cellular level. The combination of IR spectroscopy with the A6 cell line could serve as a useful model to identify agents that might threaten amphibian health in a rapid and high throughput manner. PMID:27450236

  13. Occlusal caries detection using polarized Raman spectroscopy

    Science.gov (United States)

    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.

  14. Detection of Endolithes Using Infrared Spectroscopy

    CERN Document Server

    Dumas, S; Joncas, G

    2007-01-01

    On Earth, the Dry Valleys of Antarctica provide the closest martian-like environment for the study of extremophiles. Colonies of bacteries are protected from the freezing temperatures, the drought and UV light. They represent almost half of the biomass of those regions. Due to there 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.

  15. Detecting changes during pregnancy with Raman spectroscopy

    Science.gov (United States)

    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.

  16. Surface and ultrathin-layer absorptance spectroscopy for solar cells

    Czech Academy of Sciences Publication Activity Database

    Holovský, Jakub; Remeš, Zdeněk; De Wolf, S.; Ballif, C.

    Vol. 60. Amsterdam: Elsevier Ltd, 2014 - (Gordon, I.; Valenta, J.; Turan, R.; Atwater, H.; Mirabella, S.), s. 57-62 ISSN 1876-6102. [E- MRS Spring Meeting 2014. Lille (FR), 26.05.2014-30.05.2014] R&D Projects: GA MŠk 7E12029; GA ČR(CZ) GA14-05053S EU Projects: European Commission(XE) 283501 - FAST TRACK Institutional support: RVO:68378271 Keywords : surface states * thin-film limit * ATR-FTIR * photothermal deflection spectrscopy * photocurrent spectroscopy Subject RIV: BM - Solid Matter Physics ; Magnetism

  17. Noise and detection in ''optical'' modulation spectroscopy

    International Nuclear Information System (INIS)

    The measuring techniques suitable for ''optical'' modulation spectroscopy are analyzed and source of noise identified. The choice of optical detector is for photoelectrical devices. It is shown that the shot noise of phototubes is the most important noise source

  18. Trace vapour detection at room temperature using Raman spectroscopy.

    Science.gov (United States)

    Chou, Alison; Radi, Babak; Jaatinen, Esa; Juodkazis, Saulius; Fredericks, Peter M

    2014-04-21

    A miniaturized flow-through system consisting of a gold coated silicon substrate based on enhanced Raman spectroscopy has been used to study the detection of vapour from model explosive compounds. The measurements show that the detectability of the vapour molecules at room temperature depends sensitively on the interaction between the molecule and the substrate. The results highlight the capability of a flow system combined with Raman spectroscopy for detecting low vapour pressure compounds with a limit of detection of 0.2 ppb as demonstrated by the detection of bis(2-ethylhexyl)phthalate, a common polymer additive emitted from a commercial polyvinyl chloride (PVC) tubing at room temperature. PMID:24588003

  19. Detection of irradiated lamb meat by electron spin resonance spectroscopy

    International Nuclear Information System (INIS)

    Present paper describes the potential of ESR spectroscopy for identification of radical ions in irradiated lamb meat containing bone. Irradiation induced a characteristic ESR signal due to CO2- in the bone tissue which was not detected in the non-irradiated samples. Intensity of ESR signal was proportional to irradiation dose up to 5 kGy. These results have shown that ESR spectroscopy can be effectively used to detect irradiated lamb meat containing bone tissue. (author). 2 refs., 2 figs

  20. Au-F127 strawberry-like nanospheres as an electrochemical interface for sensitive detection of carcinoembryonic antigen in real sample.

    Science.gov (United States)

    Li, Juan; Xie, Hangqing; Liu, Yuhong; Ren, Hang; Zhao, Wenbo; Huang, Xiaohua

    2015-11-01

    Nanomaterial-based signal-amplification strategies hold a great promise in realizing sensitive biological detection. A simple label-free electrochemical immunosensor for sensitive detection of carcinoembryonic antigen (CEA) was developed by immobilizing anti-CEA antibodies onto the Au-F127 strawberry-like nanospheres modified glassy carbon electrode (Au-F127/GCE). The Au-F127 strawberry-like nanospheres offered a large surface and multifunctional substrate for the effective immobilization of anti-CEA and the existence of Au could accelerate electron transfer and make the electrochemical signal amplified. The Au-F127 nanocomposites and anti-CEA were characterized by transmission electron microscopy (TEM), polycrystalline electron diffraction ring pattern, ultra-violet visible (UV-vis) spectra and attenuated total reflection-Fourier transform infrared (ATR-FTIR) spectra. Electrochemical impedance spectroscopy (EIS) and differential pulse voltammetry (DPV) were employed to verify the stepwise assembly of the immunosensor and evaluated the analytical performance of the fabricated immunosensor, respectively. The immunosensor showed a wide liner response range between 0.01 and 80 ng mL(-1) with a low detection limit of 0.24 pg mL(-1) at a signal-to-noise (S/N) ratio of 3. Additionally, the proposed method was successfully applied to determine CEA in human serum samples with satisfactory results. PMID:26452840

  1. Speeded Near Infrared Spectroscopy (NIRS) Response Detection

    OpenAIRE

    Cui, Xu; Bray, Signe; Reiss, Allan L

    2010-01-01

    The hemodynamic response measured by Near Infrared Spectroscopy (NIRS) is temporally delayed from the onset of the underlying neural activity. As a consequence, NIRS based brain-computer-interfaces (BCIs) and neurofeedback learning systems, may have a latency of several seconds in responding to a change in participants' behavioral or mental states, severely limiting the practical use of such systems. To explore the possibility of reducing this delay, we used a multivariate pattern classificat...

  2. Rapid Isolation of Phenol Degrading Bacteria by Fourier Transform Infrared (FTIR) Spectroscopy.

    Science.gov (United States)

    Li, Fei; Song, Wen-jun; Wei, Ji-ping; Wang, Su-ying; Liu, Chong-ji

    2015-05-01

    Phenol is an important chemical engineering material and ubiquitous in industry wastewater, its existence has become a thorny issue in many developed and developing country. More and more stringent standards for effluent all over the world with human realizing the toxicity of phenol have been announced. Many advanced biological methods are applied to industrial wastewater treatment with low cost, high efficiency and no secondary pollution, but the screening of function microorganisms is certain cumbersome process. In our study a rapid procedure devised for screening bacteria on solid medium can degrade phenol coupled with attenuated total reflection fourier transform infrared (ATR-FTIR) which is a detection method has the characteristics of efficient, fast, high fingerprint were used. Principal component analysis (PCA) is a method in common use to extract fingerprint peaks effectively, it couples with partial least squares (PLS) statistical method could establish a credible model. The model we created using PCA-PLS can reach 99. 5% of coefficient determination and validation data get 99. 4%, which shows the promising fitness and forecasting of the model. The high fitting model is used for predicting the concentration of phenol at solid medium where the bacteria were grown. The highly consistent result of two screening methods, solid cultural with ATR-FTIR detected and traditional liquid cultural detected by GC methods, suggests the former can rapid isolate the bacteria which can degrade substrates as well as traditional cumbersome liquid cultural method. Many hazardous substrates widely existed in industry wastewater, most of them has specialize fingerprint peaks detected by ATR-FTIR, thereby this detected method could be used as a rapid detection for isolation of functional microorganisms those can degrade many other toxic substrates. PMID:26415432

  3. Integrated Fourier transform infrared spectroscopy and gas chromatography tandem mass spectrometry for forensic engine lubricating oil and biodiesel analysis

    International Nuclear Information System (INIS)

    Gas chromatography/mass spectrometry(GC/MS) is commonly used for oil fingerprinting and provides investigators with good forensic data. However, new challenges face oil spill forensic chemistry with the growing use of biodiesel as well as the recycling and reprocessing of used oil, particularly lubricating oils. This paper demonstrated that Fourier transform infrared (FTIR) spectroscopy may be a fast, cost effective and complementary method for forensic analysis of biodiesels (fatty acid methyl esters) and lubricating oils. Attenuated total reflectance (ATR)-FTIR spectroscopy was shown to be an interesting analytic method because of its use in monitoring and quantifying minor chemical compounds in sample matrices and its ability to identify a broad range or organic compounds. Unlike chromatography, FTIR spectroscopy with ATR can provide results without compound separation or lengthy sample preparation steps. This study described the combined use of GC and ATR-FTIR in environmental oil spill identification through the matching of source lube oil samples with artificially weathered samples. Samples recovered from a biodiesel spill incident were also investigated. ATR-FTIR provided detailed spectral information for rapid lube oil differentiation. This study was part of a continuing effort to develop a methodology to deal with chemical spills of unknown origin, which is an important aspect in environmental protection and emergency preparedness. This method was only successfully applied to the short term artificially weathered and fresh lube oil characterization, and to limited cases of biodiesel spills. It was concluded that further validation tests are needed to determine if this method can be applied to real-world weather lube oil samples. 10 refs., 11 figs.

  4. Preliminary Discrimination of Cheese Adulteration by FT-IR Spectroscopy

    Directory of Open Access Journals (Sweden)

    Lucian Cuibus

    2014-11-01

    Full Text Available The present work describes a preliminary study to compare some traditional Romanian cheeses and adulterated cheeses using Attenuated Total Reflectance-Fourier transform infrared spectroscopy (ATR-FTIR. For PLS model calibration (6 concentration levels and validation (5 concentration levels sets were prepared from commercial Dalia Cheese from different manufacturers by spiking it with palm oil at concentrations ranging 2-50 % and 5-40 %, respectively. Fifteen Dalia Cheese were evaluated as external set. The spectra of each sample, after homogenization, were acquired in triplicate using a FTIR Shimatsu Prestige 21 Spectrophotometer, with a horizontal diamond ATR accessory in the MIR region 4000-600 cm-1. Statistical methods as PLS were applied using MVC1 routines written for Matlab R2010a. As first step the optimal condition for PLS model were obtained using cross-validation on the Calibration set. Spectral region in 3873-652 cm-1, and 3 PLS-factors were stated as the best conditions and showed an R2 value of 0.9338 and a relative error in the calibration of 17.2%. Then validation set was evaluated, obtaining good recovery rates (108% and acceptable dispersion of the data (20%. The curve of actual vs. predicted values shows slope near to 1 and origin close to 0, with an R2 of 0.9695. When the external sample set was evaluated, samples F19, F21, F22 and F24, showed detectable levels of palm fats. The results proved that FTIR-PLS is a reliable non-destructive technique for a rapid quantification the level of adulteration in cheese.  The spectroscopic methods could assist the quality control authority, traders and the producers to discriminate the adulterated cheeses with palm oil.

  5. Speeded near infrared spectroscopy (NIRS) response detection.

    Science.gov (United States)

    Cui, Xu; Bray, Signe; Reiss, Allan L

    2010-01-01

    The hemodynamic response measured by Near Infrared Spectroscopy (NIRS) is temporally delayed from the onset of the underlying neural activity. As a consequence, NIRS based brain-computer-interfaces (BCIs) and neurofeedback learning systems, may have a latency of several seconds in responding to a change in participants' behavioral or mental states, severely limiting the practical use of such systems. To explore the possibility of reducing this delay, we used a multivariate pattern classification technique (linear support vector machine, SVM) to decode the true behavioral state from the measured neural signal and systematically evaluated the performance of different feature spaces (signal history, history gradient, oxygenated or deoxygenated hemoglobin signal and spatial pattern). We found that the latency to decode a change in behavioral state can be reduced by 50% (from 4.8 s to 2.4 s), which will enhance the feasibility of NIRS for real-time applications. PMID:21085607

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

    Science.gov (United States)

    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.

  7. Single molecule detection and fluorescence correlation spectroscopy on surfaces

    OpenAIRE

    Hassler, Kai; Lasser, Theo

    2008-01-01

    In this thesis a new approach for single molecule detection and analysis is explored. This approach is based on the combination of two well established methods, fluorescence correlation spectroscopy (FCS) and total internal reflection fluorescence microscopy (TIRFM). In contrast to most existing fluorescence spectroscopy techniques, the subject of primary interest in FCS is not the fluorescence intensity itself but the random intensity fluctuation around the mean value. Intensity fluctuations...

  8. Single molecule detection and fluorescence correlation spectroscopy on surfaces

    OpenAIRE

    Hassler, Kai

    2006-01-01

    In this thesis a new approach for single molecule detection and analysis is explored. This approach is based on the combination of two well established methods, fluorescence correlation spectroscopy (FCS) and total internal reflection fluorescence microscopy (TIRFM). In contrast to most existing fluorescence spectroscopy techniques, the subject of primary interest in FCS is not the fluorescence intensity itself but the random intensity fluctuation around the mean value. Intensity fluctuations...

  9. FIBER LOOP RING DOWN SPECTROSCOPY FOR TRACE CHEMICAL DETECTION

    OpenAIRE

    Danışman, M. Fatih; Esentürk, Okan; Abu Sayed, Md.; Yolalmaz, Alim

    2015-01-01

    Fiber loop ring down (FLRD) spectroscopy is a technique that combines high sensitivity of cavity ring down spectroscopy and elasticity of fiber optic cables. FLRD is a time domain technique that measures optical losses of a light pulse in a fiber loop. In FLRD spectroscopy, detection of a sample is performed by measurement of leaking light at each round trip within an optical cavity. Intensity of leaking light has an exponential decay where it is reduced by absorption of sample and scattering...

  10. Ultraviolet spectroscopy and metal ions detection

    International Nuclear Information System (INIS)

    The spectrochemical analysis is based on the interaction of radiation with the chemical species and depends on their nature, having pi, sigma or electrons, or d and f electrons, UV. Visible spectrophotometry has been used extensively in the detection and determination of both organics and inorganics. In UV detection the sensitivity is proportional to the bath length and the excitation coefficient of the given sample. It may be insensitive to many species unless these are converted to UV, absorbing derivatives. The technique has been applied for the monitoring of the effluents from HPLC, as chlorides or other complexes of various elements in this article the utility of HCl as reagent for the spectrophotometric determination of the metal ions like Al(III), As(III,IV), Ba(II), Cd(II), Ca(II) Ce(III), Cs(i), Cr(III,VI), Co(II), Cu(II), Dy(III), Eu(III), Gd(III), Au(III), Hf(IV), Ho(III), In(III), Fe(III), La(III), Pb(II), Lu (III), Mg(II), Mn(II), Hg(II), Mo(VI), Ni(II), Pd(II), Pt(IV), K(I), Pr(III), Re(VII), Ru(IV), Sm(III), Sc(III), Ag(I), Sr(II) Te(III), Th(IV), Sn(II,IV), Ti(III,IV), W(VI), U(VI), V(IV,V), Yb(III), Zn(II) AND Zr(IV) Ions i.e. for meta ions from d of the most of these metal ions has been found sufficient permit their detection in HPLC. Their molar absorptive have also been reported. Reference has also been provided to post column derivatization of some metal ions from d and f block elements for their detection in HPLC. (author) 12 figs.; 6 tabs.; 27 refs

  11. Moisture detection in composites by terahertz spectroscopy

    Science.gov (United States)

    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.

  12. Detection of Counterfeit Tequila by Fluorescence Spectroscopy

    Directory of Open Access Journals (Sweden)

    José Manuel de la Rosa Vázquez

    2015-01-01

    Full Text Available An ultraviolet (UV light induced fluorescence study to discriminate fake tequila from genuine ones is presented. A portable homemade system based on four light emitting diodes (LEDs from 255 to 405 nm and a miniature spectrometer was used. It has been shown that unlike fake and silver tequila, which produce weak fluorescence signal, genuine mixed, rested, and aged tequilas show high fluorescence emission in the range from 400 to 750 nm. The fluorescence intensity grows with aging in 100% agave tequila. Such fluorescence differences can even be observed with naked eyes. The presented results demonstrate that the fluorescence measurement could be a good method to detect counterfeit tequila.

  13. Imaging Spectroscopy for Extrasolar Planet Detection

    CERN Document Server

    Sparks, W B; Sparks, William B.; Ford, Holland C.

    2002-01-01

    Coronagraphic imaging in combination with moderate to high spectral resolution may prove more effective in both detecting extrasolar planets and characterizing them than a standard coronagraphic imaging approach. We envisage an integral-field spectrograph coupled to a coronagraph to produce a 3D datacube. For the idealised case where the spectrum of the star is well-known and unchanging across the field, we discuss the utility of cross-correlation to seek the extrasolar planet signal, and describe a mathematical approach to completely eliminate stray light from the host star (although not its Poisson noise). For the case where the PSF is dominated by diffraction and scattering effects, and comprises a multitude of speckles within an Airy pattern typical of a space-based observation, we turn the wavelength dependence of the PSF to advantage and present a general way to eliminate the contribution from the star while preserving both the flux and spectrum of the extrasolar planet. We call this method `spectral de...

  14. Optical detection and femtosecond spectroscopy of a single nanoparticle

    International Nuclear Information System (INIS)

    An extension to semiconductor quantum dots of the spatial-modulation technique, demonstrated for the optical detection and linear spectroscopy of a single metal nanoparticle, is described. The association of this approach to a high sensitivity femtosecond pump–probe setup is discussed and applied to the investigation of the acoustic vibration of a single silver nanoparticle

  15. Can ESR spectroscopy be used to detect irradiated food?

    International Nuclear Information System (INIS)

    The development of a test or tests for the detection of irradiated food would facilitate international trade in irradiated food and enhance consumer confidence in the existing control procedures. Over many years, extensive research programmes have been devoted to understanding the chemical changes which occur in irradiated foods and to establishing the effects of irradiation on the microbiological, organoleptic and nutritional quality of foods. Less effort has been directed towards the development of detection methods. The use of electron spin resonance (ESR) spectroscopy for the detection of irradiated food is being examined. (author)

  16. Hydrocarbon isotope detection by elastic peak electron spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Kostanovskiy, I.A., E-mail: kostanovskiyia@gmail.com [National Research University MPEI, Krasnokazarmennaya 14, 111250 Moscow (Russian Federation); Afanas’ev, V.P. [National Research University MPEI, Krasnokazarmennaya 14, 111250 Moscow (Russian Federation); Naujoks, D. [Max-Planck-Institut für Plasmaphysik, Teilinstitut Greifswald, Wendelsteinstraße 1, D-17491 Greifswald (Germany); Mayer, M. [Max-Planck-Institut für Plasmaphysik, D-85748 Garching (Germany)

    2015-07-15

    Highlights: • PCVD hydrocarbon coatings containing protium or deuterium are analyzed via NRA, ERD, XPS and EPES. • EPES analysis with modern electron energy analyzer SPECS Phoibos 225 shows a clear signal from the hydrogen isotopes. • Different primary energies and scattering angles help to quantify isotope content from EPES spectra. - Abstract: Experimental results on the hydrocarbon isotope analysis by elastic peak electron spectroscopy are presented. Amorphous hydrocarbon samples (a-C:H, a-C:D) are prepared by PCVD and analyzed by nuclear reaction analysis (NRA), elastic recoil detection analysis (ERD), X-ray photoelectron spectroscopy (XPS) and elastic peak electron spectroscopy (EPES). Electron energy spectra show a clear signal from the hydrogen isotopes deuterium and protium. Different incident energies and scattering geometries help to resolve plasmon and elastic energy losses.

  17. Hydrocarbon isotope detection by elastic peak electron spectroscopy

    International Nuclear Information System (INIS)

    Highlights: • PCVD hydrocarbon coatings containing protium or deuterium are analyzed via NRA, ERD, XPS and EPES. • EPES analysis with modern electron energy analyzer SPECS Phoibos 225 shows a clear signal from the hydrogen isotopes. • Different primary energies and scattering angles help to quantify isotope content from EPES spectra. - Abstract: Experimental results on the hydrocarbon isotope analysis by elastic peak electron spectroscopy are presented. Amorphous hydrocarbon samples (a-C:H, a-C:D) are prepared by PCVD and analyzed by nuclear reaction analysis (NRA), elastic recoil detection analysis (ERD), X-ray photoelectron spectroscopy (XPS) and elastic peak electron spectroscopy (EPES). Electron energy spectra show a clear signal from the hydrogen isotopes deuterium and protium. Different incident energies and scattering geometries help to resolve plasmon and elastic energy losses

  18. Protein immobilization and detection on laser processed polystyrene surfaces

    International Nuclear Information System (INIS)

    The bovine serum albumin (BSA)-polystyrene (PS) interface layer is laser photo activated at 157 nm for site selective multiple target-protein immobilization. The 5-15 nm photon induced interface layer has different chemical, wetting, and stiffness properties than the PS photon processed surface. The irradiated areas exhibit target-protein binding, followed by localized probe-target protein detection. The photon induced chemical modification of the BSA-PS interface layer is identified by: (1) Morphological, imaging, and analysis of surface parameters with atomic force microscopy, (2) spectroscopic shift (4 cm-1), of the amide I group and formation of new C=N, NH2, C-O, C=O, and O-C=O groups following irradiation, identified with attenuated total reflection Fourier transform infrared (ATR-FTIR) spectroscopy, and (3) the different hydrophilic/hydrophobic and force-distance response of the bare PS and BSA-PS surfaces. Near field edge diffraction (Fresnel) fluorescence imaging specifies the threshold photon energy and the fluence required to optically detect the protein binding on the photon induced BSA-PS interface layer. By approximating the Fresnel integrals with analytical functions, the threshold photon energy and the fluence are expressed as the sum of zero, first, and second order harmonic terms of two characteristic diffracted modes and they are specified to be 8.73x10-9 Jand623 J m-2, respectively. Furthermore, a bioarray of three probe-target proteins is fabricated with 1.5 μm spatial resolution using a 157 nm laser microstepper. The methodology eliminates the use of intermediate polymer layers between the blocking BSA protein and the PS substrate in bioarray fabrication.

  19. Protein immobilization and detection on laser processed polystyrene surfaces

    Science.gov (United States)

    Sarantopoulou, Evangelia; Petrou, Panagiota S.; Kollia, Zoe; Palles, Dimitrios; Spyropoulos-Antonakakis, Nikolaos; Kakabakos, Sotirios; Cefalas, Alkiviadis-Constantinos

    2011-09-01

    The bovine serum albumin (BSA)-polystyrene (PS) interface layer is laser photo activated at 157 nm for site selective multiple target-protein immobilization. The 5-15 nm photon induced interface layer has different chemical, wetting, and stiffness properties than the PS photon processed surface. The irradiated areas exhibit target-protein binding, followed by localized probe-target protein detection. The photon induced chemical modification of the BSA-PS interface layer is identified by: (1) Morphological, imaging, and analysis of surface parameters with atomic force microscopy, (2) spectroscopic shift (4 cm-1), of the amide I group and formation of new C=N, NH2, C-O, C=O, and O-C=O groups following irradiation, identified with attenuated total reflection Fourier transform infrared (ATR-FTIR) spectroscopy, and (3) the different hydrophilic/hydrophobic and force-distance response of the bare PS and BSA-PS surfaces. Near field edge diffraction (Fresnel) fluorescence imaging specifies the threshold photon energy and the fluence required to optically detect the protein binding on the photon induced BSA-PS interface layer. By approximating the Fresnel integrals with analytical functions, the threshold photon energy and the fluence are expressed as the sum of zero, first, and second order harmonic terms of two characteristic diffracted modes and they are specified to be 8.73×10-9Jand623 J m-2, respectively. Furthermore, a bioarray of three probe-target proteins is fabricated with 1.5 μm spatial resolution using a 157 nm laser microstepper. The methodology eliminates the use of intermediate polymer layers between the blocking BSA protein and the PS substrate in bioarray fabrication.

  20. Stand-off Raman spectroscopy for the detection of explosives

    International Nuclear Information System (INIS)

    Due to the worldwide threat of terrorism, a transportable prototype is being developed combining three OPtical Technologies for the detection and Identification of eXplosives (OPTIX) at a distance of 20 metres. The techniques are laser induced breakdown spectroscopy, pulsed laser fragmentation mid infrared spectroscopy and Raman spectroscopy. As part of this FP7 project, a stand off Raman system was set up and optimised. Meeting the challenging situations in real life scenarios, different explosives and their precursors were analysed in the presence of interfering substances and on a variety of background materials, (metal, plastics, car doors). Furthermore, detection limits were established, showing that this technique is suitable for trace detection. The influence of the excitation wavelength was investigated by changing the pulsed laser from 532 nm to 355 or 266 nm, which can increase the Raman signal significantly. In addition to the OPTIX project requirements, the stand off distance was successfully extended to 100 metres at a testing ground at the Austrian Armed Forces. Moreover, combining stand off technology with spatial offset Raman scattering it is now possible to identify and quantify substances at up to 40 metres in bottles which are non transparent to the human eye. This method permits the detection of concealed substances in ''real life'' containers from a safe distance, even if the container exhibits interfering fluorescence. An alternative way to probe substances inside turbid bottles was found by using depth resolved stand off Raman spectroscopy. This methodology employs the speed of light to distinguish between samples located at different distances from the setup. (author)

  1. Time domain PD-detection vs. dielectric spectroscopy

    DEFF Research Database (Denmark)

    Holbøll, Joachim T.; Edin, Hans; Gäfvert, Uno

    A theoretically developed relationship between partial discharges and the response from a system for dielectric spectroscopy was experimentally confirmed. The losses caused by the discharges were highest at test voltages with low frequencies. At 0.1 Hz, tanδ tip-up at discharge inception was very...... difficult to observe. A very clear tip-up could be seen by detection of the third harmonic in the current through the test object. This is much more sensitive to the detection of internal partial discharges than traditional loss measurements, in particular when using low frequency test voltages...

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

    Science.gov (United States)

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

    2015-11-01

    Ammonia in gastric juice is considered a potential biomarker for Helicobacter pylori infection and as a factor contributing to gastric mucosal injury. High ammonia concentrations are also found in patients with chronic renal failure, peptic ulcer disease, and chronic gastritis. Rapid and specific methods for ammonia detection are urgently required by the medical community. Here we present a method to detect ammonia directly in gastric juice based on Fourier transform infrared spectroscopy. The ammonia dissolved in biological liquid samples as ammonium ion was released in air as a gas by the shifting of the pH equilibrium of the ammonium/ammonia reaction and was detected in line by a Fourier transform infrared spectroscopy system equipped with a gas cell for the quantification. The method developed provided high sensitivity and selectivity in ammonia detection both in pure standard solutions and in a simulated gastric juice matrix over the range of diagnostic concentrations tested. Preliminary analyses were also performed on real gastric juice samples from patients with gastric mucosal injury and with symptoms of H. pylori infection, and the results were in agreement with the clinicopathology information. The whole analysis, performed in less than 10 min, can be directly applied on the sample without extraction procedures and it ensures high specificity of detection because of the ammonia fingerprint absorption bands in the infrared spectrum. This method could be easily used with endoscopy instrumentation to provide information in real time and would enable the endoscopist to improve and integrate gastroscopic examinations. PMID:26377936

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

    Science.gov (United States)

    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.

  4. Diamond-coated ATR prism for infrared absorption spectroscopy of surface-modified diamond nanoparticles

    International Nuclear Information System (INIS)

    Linear antenna microwave chemical vapor deposition process was used to homogeneously coat a 7 cm long silicon prism by 85 nm thin nanocrystalline diamond (NCD) layer. To show the advantages of the NCD-coated prism for attenuated total reflection Fourier transform infrared spectroscopy (ATR-FTIR) of nanoparticles, we apply diamond nanoparticles (DNPs) of 5 nm nominal size with various surface modifications by a drop-casting of their methanol dispersions. ATR-FTIR spectra of as-received, air-annealed, plasma-oxidized, and plasma-hydrogenated DNPs were measured in the 4000–1500 cm−1 spectral range. The spectra show high spectral resolution, high sensitivity to specific DNP surface moieties, and repeatability. The NCD coating provides mechanical protection against scratching and chemical stability of the surface. Moreover, unlike on bare Si surface, NCD hydrophilic properties enable optically homogeneous coverage by DNPs with some aggregation on submicron scale as evidenced by scanning electron microscopy and atomic force microscopy. Compared to transmission FTIR regime with KBr pellets, direct and uniform deposition of DNPs on NCD-ATR prism significantly simplifies and speeds up the analysis (from days to minutes). We discuss prospects for in situ monitoring of surface modifications and molecular grafting.

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

    Science.gov (United States)

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

    2016-01-01

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

  6. Photoacoustic Spectroscopy with Quantum Cascade Lasers for Trace Gas Detection

    Directory of Open Access Journals (Sweden)

    Gaetano Scamarcio

    2006-10-01

    Full Text Available Various applications, such as pollution monitoring, toxic-gas detection, noninvasive medical diagnostics and industrial process control, require sensitive and selectivedetection of gas traces with concentrations in the parts in 109 (ppb and sub-ppb range.The recent development of quantum-cascade lasers (QCLs has given a new aspect toinfrared laser-based trace gas sensors. In particular, single mode distributed feedback QCLsare attractive spectroscopic sources because of their excellent properties in terms of narrowlinewidth, average power and room temperature operation. In combination with these lasersources, photoacoustic spectroscopy offers the advantage of high sensitivity and selectivity,compact sensor platform, fast time-response and user friendly operation. This paper reportsrecent developments on quantum cascade laser-based photoacoustic spectroscopy for tracegas detection. In particular, different applications of a photoacoustic trace gas sensoremploying a longitudinal resonant cell with a detection limit on the order of hundred ppb ofozone and ammonia are discussed. We also report two QC laser-based photoacousticsensors for the detection of nitric oxide, for environmental pollution monitoring andmedical diagnostics, and hexamethyldisilazane, for applications in semiconductormanufacturing process.

  7. Detection of propofol concentrations in blood by Raman spectroscopy

    Science.gov (United States)

    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.

  8. Detection of single atoms by resonance ionization spectroscopy

    International Nuclear Information System (INIS)

    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 technique of resonance ionization spectroscopy (RIS), a laser is tuned to a wavelength that will promote a valence electron in a Z-selected atom to an excited level. Additional resonance or non-resonance photoabsorption steps are used to achieve nearly 100% ionization efficiencies. Hence, the RIS process can be saturated for the Z-selected atoms: and because detectors are available for counting either single electrons or positive ions, one-atom detection is possible. Some examples of one-atom detection are given, including that of the noble gases, to show complementarity with accelerator mass spectrometry AMS methods. For instance, the detection of 81Kr by using RIS has interesting applications for solar-neutrino research, ice-cap dating, and groundwater dating. (author)

  9. Application of neutron resonance spectroscopy for explosive material accuracy detection

    International Nuclear Information System (INIS)

    To determine the chemical composition of materials in baggage or cargo at bus stations, ports or airports is conventionally using the X-ray technique, which is base on the density-specific transmission probability, but not a very good probe to detect explosive materials. However, Neutron Resonance Spectroscopy (NRS) as the element-specific transmission case, can be used to detect the accuracy chemical contentment of the materials. Carbon, Hydrogen, Nitrogen and Oxygen as the main components of the explosive material, appear prominent neutron resonance features during 0.5-7.5 MeV energy section of the injected neutrons. By solving the equation involving the differences of neutron current strength between prior to and behind the sample, the accuracy chemical contentment of these isotopes, consequently, the material are determined finally. Such explosive material detection can be used in military, anti-terrorist and civil security. (authors)

  10. Single electron detection and spectroscopy via relativistic cyclotron radiation

    CERN Document Server

    Asner, D M; 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; Thummler, T; VanDevender, B A; Woods, N L

    2014-01-01

    It has been understood since 1897 that accelerating charges must 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 spec- trometer. We observe the cyclotron radiation emitted by individual magnetically-trapped electrons that are produced with mildly-relativistic energies by a gaseous radioactive source. The relativistic shift in the cyclotron frequency permits a precise electron energy measurement. Precise beta elec- tron 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 demonstrates a fundamentally new approach to precision beta sp...

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

    Energy Technology Data Exchange (ETDEWEB)

    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.

  12. Chromophore detection by fluorescence spectroscopy in tissue-like phantoms

    Science.gov (United States)

    Cerussi, Albert E.; Fantini, Sergio; Maier, John S.; Mantulin, William W.; Gratton, Enrico

    1997-08-01

    In the near-infrared spectral region (700 - 900 nm) light penetrates a few centimeters into tissues and hemoglobin dominates the absorption. Consequently, in vivo near-infrared tissue absorption spectroscopy becomes difficult for endogenous compounds of biological interest other than hemoglobin. Exogenous chromophore detection by fluorescence spectroscopy has the potential to provide enhanced sensitivity and specificity for in vivo optical tissue spectroscopy, facilitating the study of many important metabolites in tissues other than hemoglobin. We have performed measurements of the dc fluorescence intensity generated by a fluorophore (rhodamine B) homogeneously dissolved inside a highly scattering tissue-simulating phantom (aqueous suspension of titanium-dioxide particles). The phantom was prepared with optical coefficients (absorption and reduced scattering) similar to those of tissue in the near-infrared; these coefficients were measured with a frequency-domain spectrometer. Measurable dc fluorescence intensity signals from 1 nM rhodamine concentrations inside the phantom are reported. Furthermore, we were able to resolve changes in rhodamine concentration on the order of 1% using the dc fluorescence intensity. This dc fluorescence sensitivity is characterized experimentally at two concentrations (55 and 360 nM) and over a range of source-detector separations. Other aspects of the sensitivity are discussed over a large range of concentrations using a fluorescence photon migration model.

  13. Using FTIR spectroscopy to detect sericin on historic silk

    Institute of Scientific and Technical Information of China (English)

    WYETH; Paul

    2010-01-01

    Silks represent some of the most precious ancient and historic textile artefacts in collections worldwide.Their optimum preservation demands an appreciation of their characteristics.One important concern,especially with regard to ancient Chinese silks,is whether the fabrics have been degummed.Silks with remnant sericin gum coating the fibroin fibres would require different conservation protocol.In previous research on aged silks,the presence of sericin has been inferred from amino acid analysis of hydrolysates.In the study reported here,the potential of FTIR spectroscopy to provide a simpler and rapid method of detecting sericin on silk has been investigated.Both fibroin and sericin exhibit singular IR absorptions.Attenuated total reflectance spectroscopy was found to highlight the sericin coating more effectively than transmission and reflectance spectroscopy.Three particular peak intensity ratios were identified which might provide a quantitative estimate of the sericin content of new silk,to a sensitivity of 1%-2%.These were also shown to be valid indicators for the presence of sericin on artificially aged and archaeological silks,although quantitation was now not possible.Besides the peak intensity ratios,two signature peaks were also seen to be useful markers for silk fibroin,and their presence in a spectrum could be used to infer a degummed silk.

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

    Science.gov (United States)

    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

  15. An automatic detection software for differential reflection spectroscopy

    Science.gov (United States)

    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.

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

    Science.gov (United States)

    Gopal, Judy; Chun, Sechul; Doble, Mukesh

    2016-08-01

    Titanium is widely used as medical implant material and as condenser material in the nuclear industry where its integrity is questioned due to its susceptibility to bacterial adhesion. A systematic investigation on the influence of thermally (50-800 °C) stabilized titanium (TS-Ti) nano oxide towards bacterial adhesion was carried out. The results showed that below 350 °C significant bacterio-phobicity was observed, while above 500 °C significant affinity towards bacterial cells was recorded. Conventional characterization tools such as HR-TEM and XRD did not provide much insight on the changes occurring on the oxide film with heat treatment, however, attenuated total reflection fourier transform infrared spectroscopy (ATR-FTIR) of the surface showed significant changes in the spectral pattern as a function of increasing heat treatment. It was observed that elevated OH, N-H and C=O groups and rutile titania on the TS-Ti oxide films led to higher affinity for bacterial adhesion. On the other hand low temperature TS-Ti nanooxide films (film grown at 50 °C was observed to be the most efficient anti-bacterial adhesion interface, while the 800 °C interface was the one showing highest affinity towards bacterial adhesion. This study confirms the successful application of ATR-FTIR technique for nano-oxide film characterization and towards understanding the variations in bacterial interaction of such nano interfaces. PMID:27412653

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

    Science.gov (United States)

    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

  18. Supercontinuum spatial modulation spectroscopy: Detection and noise limitations

    Energy Technology Data Exchange (ETDEWEB)

    McDonald, M. P.; Vietmeyer, F.; Kuno, M., E-mail: mkuno@nd.edu [Department of Chemistry and Biochemistry, University of Notre Dame, Notre Dame, Indiana 46556 (United States); Aleksiuk, D. [Department of Physics, Taras Shevchenko National University of Kiev, Kiev 01601 (Ukraine)

    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}.

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

    Science.gov (United States)

    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.

  20. A rapid detection for irradiated fresh papayas using ESR spectroscopy

    International Nuclear Information System (INIS)

    The detections of radicals induced in irradiated both fresh and dried papayas were carried out at liquid nitrogen and room temperature using electron spin resonance (ESR) spectroscopy. Fresh papayas irradiated by the γ-rays were separated into flesh and skin that subjected to the ESR detection. The ESR spectra of the specimen at liquid-nitrogen temperature were observed clearly at a week after the γ-irradiation. Those signals were consisted from main peak at g=2.000 and side peaks at g=2.018 and 1.982. They showed a linear response against the dose. Furthermore, the side peaks from freeze-dried papaya flesh stored at 4degC were observed clearly at two weeks after the γ-irradiation. Those signals also showed the linear dose-response. The detection scheme for irradiated fresh fruits can be done by two stages: 1) A screening test of ESR signals at liquid nitrogen temperature using fresh samples. 2) A room temperature ESR measurement using freeze-dry samples. (author)

  1. Detection of psychoactive drugs using 19F MR spectroscopy

    International Nuclear Information System (INIS)

    In vivo 19F resonance spectroscopy measurements of tri fluorinated neuroleptics (flu phenazine and tri fluoperazine) and later tri fluorinated antidepressants (fluoxetine and fluvoxamine) began with animal experiments in 1983. Using rats which have been treated with high oral doses of flu phenazine over a period of three weeks at the beginning of these experiments the measurement time was very long (up to 10 h). The application of better techniques using surface coils led to a marked improvement of the signal noise ratio and measurement times in animal experiments could be reduced to minutes. These results encouraged us and other groups to perform experiments in humans to detect and try to estimate brain levels of tri fluorinated neuroleptics and antidepressants. The present data of several research groups demonstrate that 19F MR spectroscopy has the potential of becoming a valuable tool for monitoring drug levels at the site of action. The extension of the animal studies to humans might facilitate a better treatment of schizophrenic and depressive patients. (author)

  2. Near infrared Raman spectroscopy for Alzheimer's disease detection

    Science.gov (United States)

    Sudworth, Caroline D.; Archer, John K. J.; Mann, David

    2005-08-01

    In recent years, the use of Raman spectroscopy for the detection and diagnosis of disease has steadily grown within the research field. However, this research has primarily been restricted to oncology. This research expands the use of Raman spectroscopy as a potential tool for the diagnosis of Alzheimer's disease, which is currently the most prevalent, and fastest growing type of dementia in the Western world. Using a commercial Raman spectrometer (Renishaw PLC ®, UK) flash frozen post-mortem ex vivo brain tissue sections were illuminated using a high power (20mW) 830 nm near infrared diode laser, and subsequently spectra were gained in the region of 2000-200 cm-1 from a 10 second accumulation time. Ethical approval was gained for the examination of 18 individual donors exhibiting varying states of Alzheimer's disease, Huntingdon's disease and their corresponding age-matched healthy controls. Following on from previous preliminary studies, the Raman spectra were found to be highly reproducible, and when examined further, the spectra showed differences relating to the content and structure of the proteins in the individual brain samples, in particular, the beta-amyloid protein structure found in Alzheimer's disease patients. Principle components analysis further determined these protein structural changes, with Alzheimer's disease and Huntingdon's disease samples being defined from the healthy controls, and from each other.

  3. Protocol for detection of nonsecular conversion through coherent nanooptical spectroscopy

    Science.gov (United States)

    Krecik, Markus; Hein, Sven M.; Schoth, Mario; Richter, Marten

    2015-11-01

    The theoretical description of dynamics in open quantum systems becomes very demanding upon inclusion of non-Markovian effects. To simplify the computational implementation for density matrix equations of motion, the secular approximation is often applied. An experimental verification of its validity though remains difficult due to uncertainties in the system parameters and the absence of qualitatively distinct features. In this paper, we present the proposal for an experimental detection protocol sensitive to nonsecular processes neglected in the secular approximation. The protocol uses a combination of multidimensional coherent spectroscopy and nanoplasmonics. It allows for studies of nonsecular processes in various systems and provides a tool to experimentally verify the validity of the secular approximation. We apply this protocol to a system of CdSe/ZnS nanostructures and discuss the particular features originating from nonsecular processes on the resulting two-dimensional spectra.

  4. Surface modification of polyacrylonitrile fiber for immobilization of antibodies and detection of analyte

    International Nuclear Information System (INIS)

    Pendent nitrile groups of multifilamentous polyacrylonitrile (PAN) fibers were reduced to amino groups using lithium aluminum hydride for different time of reduction and amine content was estimated by performing acid-base titrations. Attenuated total reflection-fourier transform infrared spectroscopy (ATR-FTIR) and Differential Scanning Calorimetry (DSC) were used for the characterization of the generated amino groups and thermal properties of the reduced fibers, respectively. The surface morphology of the fibers after reduction and immobilization was characterized using Scanning Electron Microscope (SEM). The newly formed amino groups of the fibers were activated by using glutaraldehyde for the covalent linking of Goat anti-Rabbit IgG-HRP (GAR-HRP) antibody enzyme conjugate. Modified PAN fibers were evaluated as a matrix for sandwich ELISA by using Goat anti-Rabbit antibody (GAR-IgG), Rabbit anti-Goat (RAG-IgG) as analyte and enzyme conjugate GAR-HRP. The fibers reduced for 24 h were able to detect the analyte RAG-IgG at a concentration as low as 3.75 ng mL-1 with 12% skimmed milk as blocking reagent for the optimized concentration of primary antibody GAR-IgG 3 μg mL-1 and peroxidase conjugate GAR-HRP dilution of 8000 fold. The sensitivity, specificity and reproducibility of the developed immunoassay was further established with antibodies present in human blood using Rabbit anti-Human (RAH-IgG) antibody and the corresponding HRP enzyme conjugate. As low as 0.1 μL of human blood was sufficient to perform the assay with the modified fibers.

  5. Surface modification of polyacrylonitrile fiber for immobilization of antibodies and detection of analyte

    Energy Technology Data Exchange (ETDEWEB)

    Jain, Swati, E-mail: swatijain.iitd@gmail.com [Center for Biomedical Engineering, Indian Institute of Technology, New Delhi, 110016 (India); Chattopadhyay, Sruti, E-mail: srutic@hotmail.com [Center for Biomedical Engineering, Indian Institute of Technology, New Delhi, 110016 (India); Jackeray, Richa, E-mail: richajackeray.iitd@gmail.com [Center for Biomedical Engineering, Indian Institute of Technology, New Delhi, 110016 (India); Singh, Harpal, E-mail: harpal2000@yahoo.com [Center for Biomedical Engineering, Indian Institute of Technology, New Delhi, 110016 (India)

    2009-11-10

    Pendent nitrile groups of multifilamentous polyacrylonitrile (PAN) fibers were reduced to amino groups using lithium aluminum hydride for different time of reduction and amine content was estimated by performing acid-base titrations. Attenuated total reflection-fourier transform infrared spectroscopy (ATR-FTIR) and Differential Scanning Calorimetry (DSC) were used for the characterization of the generated amino groups and thermal properties of the reduced fibers, respectively. The surface morphology of the fibers after reduction and immobilization was characterized using Scanning Electron Microscope (SEM). The newly formed amino groups of the fibers were activated by using glutaraldehyde for the covalent linking of Goat anti-Rabbit IgG-HRP (GAR-HRP) antibody enzyme conjugate. Modified PAN fibers were evaluated as a matrix for sandwich ELISA by using Goat anti-Rabbit antibody (GAR-IgG), Rabbit anti-Goat (RAG-IgG) as analyte and enzyme conjugate GAR-HRP. The fibers reduced for 24 h were able to detect the analyte RAG-IgG at a concentration as low as 3.75 ng mL{sup -1} with 12% skimmed milk as blocking reagent for the optimized concentration of primary antibody GAR-IgG 3 {mu}g mL{sup -1} and peroxidase conjugate GAR-HRP dilution of 8000 fold. The sensitivity, specificity and reproducibility of the developed immunoassay was further established with antibodies present in human blood using Rabbit anti-Human (RAH-IgG) antibody and the corresponding HRP enzyme conjugate. As low as 0.1 {mu}L of human blood was sufficient to perform the assay with the modified fibers.

  6. Detection and Classification of Measurement Errors in Bioimpedance Spectroscopy.

    Science.gov (United States)

    Ayllón, David; Gil-Pita, Roberto; Seoane, Fernando

    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. A Catalytic Path for Electrolyte Reduction in Lithium-Ion Cells Revealed by in Situ Attenuated Total Reflection-Fourier Transform Infrared Spectroscopy

    KAUST Repository

    Shi, Feifei

    2015-03-11

    © 2015 American Chemical Society. Although controlling the interfacial chemistry of electrodes in Li-ion batteries (LIBs) is crucial for maintaining the reversibility, electrolyte decomposition has not been fully understood. In this study, electrolyte decomposition on model electrode surfaces (Au and Sn) was investigated by in situ attenuated total reflection-Fourier transform infrared (ATR-FTIR) spectroscopy. Simultaneously obtained ATR-FTIR spectra and cyclic voltammetry measurements show that lithium ethylene dicarbonate and lithium propionate form on the Au electrode at 0.6 V, whereas diethyl 2,5-dioxahexane dicarboxylate and lithium propionate form on the Sn electrode surface at 1.25 V. A noncatalytic reduction path on the Au surface and a catalytic reduction path on the Sn surface are introduced to explain the surface dependence of the overpotential and product selectivity. This represents a new concept for explaining electrolyte reactions on the anode of LIBs. The present investigation shows that catalysis plays a dominant role in the electrolyte decomposition process and has important implications in electrode surface modification and electrolyte recipe selection, which are critical factors for enhancing the efficiency, durability, and reliability of LIBs.

  8. Near-infrared imaging spectroscopy for counterfeit drug detection

    Science.gov (United States)

    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.

  9. Multiphoton Ionization Detection in Collinear Laser Spectroscopy of Isolde Beams

    CERN Multimedia

    2002-01-01

    The experiments using the multiphoton ionization technique have been continued in the beginning of 1990 with stable beam tests on the modified apparatus and with another radioactive beam time on Yb. Higher laser power and an increased vacuum in the ionization region (see figure) yielded a further gain in sensitivity, mainly due to the better suppression of the background ions produced in rest gas collisions. For even Yb isotopes we have now reached a detection efficiency of $\\epsilon$~=~1~x~10$^{-5}$ ions per incoming atom at a background count rate of 30~ions from a beam of 5~x~10$^9$. This sensitivity was high enough for spectroscopy on $^{157}$Yb, where the typical ISOLDE yield of 5~x~10$^7$Yb ions is covered by an isobaric contamination of more than 10$^{10}$ ions. Measurements have also been performed on $^{175}$Yb. These give the first precise value for the magnetic moment of this isotope, $\\mu$~=~0.766(8)$ mu _{N} $, which agrees rather well with the magnetic moment of the isotone $^{177}$Hf. The isoto...

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

    Science.gov (United States)

    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.

  11. Detection of explosives with laser-induced breakdown spectroscopy

    Science.gov (United States)

    Wang, Qian-Qian; Liu, Kai; Zhao, Hua; Ge, Cong-Hui; Huang, Zhi-Wen

    2012-12-01

    Our recent work on the detection of explosives by laser-induced breakdown spectroscopy (LIBS) is reviewed in this paper. We have studied the physical mechanism of laser-induced plasma of an organic explosive, TNT. The LIBS spectra of TNT under single-photon excitation are simulated using MATLAB. The variations of the atomic emission lines intensities of carbon, hydrogen, oxygen, and nitrogen versus the plasma temperature are simulated too. We also investigate the time-resolved LIBS spectra of a common inorganic explosive, black powder, in two kinds of surrounding atmospheres, air and argon, and find that the maximum value of the O atomic emission line SBR of black powder occurs at a gate delay of 596 ns. Another focus of our work is on using chemometic methods such as principle component analysis (PCA) and partial least squares discriminant analysis (PLS-DA) to distinguish the organic explosives from organic materials such as plastics. A PLS-DA model for classification is built. TNT and seven types of plastics are chosen as samples to test the model. The experimental results demonstrate that LIBS coupled with the chemometric techniques has the capacity to discriminate organic explosive from plastics.

  12. Avaliação da eficiência das técnicas ESI-MS e ATR/FTIR na determinação de adulteração de BX com querosene e óleo residual

    Directory of Open Access Journals (Sweden)

    Itânia Pinheiro Soares

    2011-01-01

    Full Text Available Direct infusion electrospray ionization mass spectrometry in the negative ion mode, ESI(--MS and Fourier transform infrared spectroscopy (FTIR were used together with partial least squares (PLS as a tool to determine B3 adulteration (B3 - mixture of 3% v/v of biodiesel in diesel with kerosene and residual oil.

  13. Bioimpedance Spectroscopy for the Detection of Hypervolemia in Hemodialysis Patients

    Directory of Open Access Journals (Sweden)

    Ender HÜR

    2011-09-01

    Full Text Available INTRODUCTION: A practical, inexpensive and reliable method is needed for assessment of volume status in hemodialysis (HD patients. In this study the efficiency of bioimpedance spectroscopy (BIS for detection of hypervolemia was investigated. MATERIAL and METHODS: A total of 172 prevalent HD patients were enrolled from 2 centers. Echocardiography, 48-hours ambulatory blood pressure (BP measurement, and body composition analysis using the BIS technique (50 frequencies (Body Composition Monitor were performed. Overhydration (OH and extracellular water (ECW in liters, and the OH/ECW ratio were used as volume indices. RESULTS: The mean age was 52±13 years and HD duration 60±43 months. Of the cases, 41% were female, 17% were diabetic. The mean left ventricular mass index (LVMi was 159±42 gr/m2 and 77% of the patients had left ventricular hypertrophy (LVH. The mean OH and OH/ECW ratio were 2.1±1.6 L and 11±8%, respectively. OH/ECW ratio was correlated with day-time systolic BP (r:0.383, p<0.0001, night-time systolic BP (r:0.380, p<0.0001, pulse pressure-48h (r:0.413, p<0.0001, left atrium index (LAi (r:0.301, p<0.0001, LVMi (r:0.378, p<0.0001 and ejection fraction (EF (r:-0.239, p:0.002. Patients with OH/ECW ratio lower than 5% had favorable cardiovascular risk profile. On linear regression analysis, the OH/ECW ratio was an independent risk factor for LAi (t:3.00, p:0.003, LVMi (t:2.77, p:0.006 and EF (t:-2.34, p:0.02. CONCLUSION: Bioimpedance spectroscopy is a reliable method to evaluate volume status in HD patients. OH/ECW measured by BIS is a major determinant of left atrial diameter, left ventricular mass and ejection fraction. An OH/ECW value less than 5% is associated with acceptable blood pressure control and better cardiac condition.

  14. Challenging near infrared spectroscopy discriminating ability for counterfeit pharmaceuticals detection.

    Science.gov (United States)

    Storme-Paris, I; Rebiere, H; Matoga, M; Civade, C; Bonnet, P-A; Tissier, M H; Chaminade, P

    2010-01-25

    This study was initiated by the laboratories and control department of the French Health Products Safety Agency (AFSSAPS) as part of the fight against the public health problem of rising counterfeit and imitation medicines. To test the discriminating ability of Near InfraRed Spectroscopy (NIRS), worse cases scenarios were first considered for the discrimination of various pharmaceutical final products containing the same Active Pharmaceutical Ingredient (API) with different excipients, such as generics of proprietary medicinal products (PMP). Two generic databases were explored: low active strength hard capsules of Fluoxetine and high strength tablets of Ciprofloxacin. Then 4 other cases involving suspicious samples, counterfeits and imitations products were treated. In all these cases, spectral differences between samples were studied, giving access to API or excipient contents information, and eventually allowing manufacturing site identification. A chemometric background is developed to explain the optimisation methodology, consisting in the choices of appropriate pretreatments, algorithms for data exploratory analyses (unsupervised Principal Component Analysis), and data classification (supervised cluster analysis, and Soft Independent Modelling of Class Analogy). Results demonstrate the high performance of NIRS, highlighting slight differences in formulations, such as 2.5% (w/w) in API strength, 1.0% (w/w) in excipient and even coating variations (<1%, w/w) with identical contents, approaching the theoretical limits of NIRS sensitivity. All the different generic formulations were correctly discriminated and foreign PMP, constituted of formulations slightly different from the calibration ones, were also all discriminated. This publication addresses the ability of NIRS to detect counterfeits and imitations and presents the NIRS as an ideal tool to master the global threat of counterfeit drugs. PMID:20103090

  15. Effect of Different Broad Waveband Lights on Membrane Lipids of a Cyanobacterium, Synechococcus sp., as Determined by UPLC-QToF-MS and Vibrational Spectroscopy

    Science.gov (United States)

    Montero, Olimpio; Velasco, Marta; Sanz-Arranz, Aurelio; Rull, Fernando

    2016-01-01

    Differential profile of membrane lipids and pigments of a Synechococcus sp. cyanobacterial strain cells exposed to blue, green, red and white light are determined by means of liquid chromatography and mass spectrometry or diode array detection. Raman and ATR-IR spectra of intact cells under the diverse light wavebands are also reported. Blue light cells exhibited an increased content of photosynthetic pigments as well as specific species of membrane glycerolipids as compared to cells exposed to other wavebands. The A630/A680 ratio indicated an increased content of phycobilisomes (PBS) in the blue light-exposed cells. Some differences in the protein conformation between the four light waveband-exposed cells were deduced from the variable absorbance at specific wavenumbers in the FT-Raman and ATR-FTIR spectra, in particular bands assigned to amide I and amide II. Bands from 1180 to 950 cm−1 in the ATR-FTIR spectrum suggest degraded outer membrane polysaccharide in the blue light-exposed cells. PMID:27223306

  16. Evaluation of ionizing radiation effects in bone tissue by FTIR spectroscopy and dynamic mechanical analysis

    International Nuclear Information System (INIS)

    In many medical practices the bone tissue exposure to ionizing radiation is necessary. However, this radiation can interact with bone tissue in a molecular level, causing chemical and mechanical changes related with the dose used. The aim of this study was verify the changes promoted by different doses of ionizing radiation in bone tissue using spectroscopy technique of Attenuate Total Reflectance - Fourier Transforms Infrared (ATR-FTIR) and dynamic mechanical analysis. Samples of bovine bone were irradiated using irradiator of Cobalt-60 with five different doses between 0.01 kGy, 0.1 kGy,1 kGy, 15 kGy and 75 kGy. To study the effects of ionizing irradiation on bone chemical structure the sub-bands of amide I and the crystallinity index were studied. The mechanical changes were evaluated using the elastic modulus and the damping value. To verify if the chemical changes and the bone mechanic characteristics were related, it was made one study about the correlation between the crystallinity index and the elastic modulus, between the sub-bands ratio and the damping value and between the sub-bands ratio and the elastic modulus. It was possible to evaluate the effects of different dose of ionizing radiation in bone tissue. With ATR-FTIR spectroscopy analysis, it was possible observe changes in the organic components and in the hydroxyapatite crystals organization. Changes were also observed in the mechanical properties. A good correlation between the techniques was found, however, it was not possible to establish a linear or exponential dependence between dose and effect. (author)

  17. Classification of change detection and change blindness from near-infrared spectroscopy signals

    OpenAIRE

    Tanaka, Hirokazu; Katura, Takusige

    2011-01-01

    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 o...

  18. Micro-Raman spectroscopy for meat type detection

    Science.gov (United States)

    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.

  19. The detection of amoxicillin medicines by terahertz time-domain spectroscopy

    Science.gov (United States)

    Meng, Kun; Li, Zeren; Liu, Qiao

    2012-03-01

    Terahertz time-domain spectroscopy (THz-TDS) is a new spectroscopic technique, which improve a good complement for other spectroscopic techniques and has broad application prospects in the biomedical field. In this paper, a terahertz time-domain spectroscopy system is set up. Using this system, the amoxicillin drugs are detected, and the spectrum are analyzed.

  20. Theoretical analysis of a CO2 gas detection system using correlation spectroscopy

    OpenAIRE

    Chambers, Paul; Austin, Ed A.D.; Dakin, John P.

    2004-01-01

    We present a comprehensive model of a CO2 correlation spectroscopy based gas sensor. Predictions of the sensor response for typical fibre optic-coupled systems are made, taking into account effects of noise in detected signals.

  1. Detecting Counterfeit Antimalarial Tablets by Near-Infrared Spectroscopy

    Science.gov (United States)

    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...

  2. Molecular oxygen detection using frequency modulation diode laser spectroscopy

    Science.gov (United States)

    Wang, Liang-Guo; Sachse, Glen

    1990-01-01

    A high-sensitivity spectroscopic measurement of O2 using two-tone frequency modulation spectroscopy with a GaAlAs diode laser is presented. An oxygen sensor based on this technique would be non-intrusive, compact and possess high sensitivity and fast time response.

  3. Evaluation of various polyethylene as potential dosimeters by attenuated total reflectance-Fourier-transform infrared spectroscopy

    Science.gov (United States)

    Halperin, Fred; Collins, Greta; DiCicco, Michael; Logar, John

    2014-12-01

    Various types of polyethylene (PE) have been evaluated in the past for use as a potential dosimeter, chiefly via the formation of an unsaturated transvinylene (TV) double-bond resulting from exposure to ionizing radiation. The utilization of attenuated total reflectance Fourier-transform infrared (ATR-FTIR) spectroscopy in characterizing TV formation in irradiated PE for a potential dosimeter has yet to be fully developed. In this initial investigation, various PE films/sheets were exposed to ionizing radiation in a high-energy 5 megaelectron volt (MeV) electron beam accelerator in the 10-500 kilogray (kGy) dose range, followed by ATR-FTIR analysis of TV peak formation at the 965 cm-1 wavenumber. There was an upward trend in TV formation for low-density polyethylene (LDPE) films and high-density polyethylene (HDPE) sheets as a function of absorbed dose in the 10-50 kGy dose range, however, the TV response could not be equated to a specific absorbed dose. LDPE film displayed a downward trend from 50 kGy to 250 kGy and then scattering up to 500 kGy; HDPE sheets demonstrated an upward trend in TV formation up to 500 kGy. For ultra-high molecular weight polyethylene (UHMWPE) sheets irradiated up to 150 kGy, TV response was equivalent to non-irradiated UHMWPE, and a minimal upward trend was observed for 200 kGy to 500 kGy. The scatter of the data for the irradiated PE films/sheets is such that the TV response could not be equated to a specific absorbed dose. A better correlation of the post-irradiation TV response to absorbed dose may be attained through a better understanding of variables.

  4. Detection of Drugs of Abuse by Raman Spectroscopy

    OpenAIRE

    West, M. J.; Went, Michael J.

    2011-01-01

    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.

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

    Czech Academy of Sciences Publication Activity Database

    Číp, Ondřej; Buchta, Zdeněk; Lešundák, Adam; Randula, A.; Mikel, Břetislav; Lazar, Josef; Veverková, L.

    Bellingham: SPIE, 2014, 89411D:1-6. ISSN 1605-7422. [Optical Interactions with Tissue and Cells /25./; and Terahertz for Biomedical Applications. San Francisco (US), 02.02.2014-04.02.2014] R&D Projects: GA ČR GAP102/10/1813; GA MŠk EE2.4.31.0016; GA MŠk ED0017/01/01; GA MŠk(CZ) LO1212 Institutional support: RVO:68081731 Keywords : IndoCyanine Green * fluorescence spectroscopy * small intestine * surgery Subject RIV: BH - Optics, Masers, Laser s

  6. Apparatus and method for noninvasive particle detection using doppler spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Sinha, Dipen N.

    2016-05-31

    An apparatus and method for noninvasively detecting the presence of solid particulate matter suspended in a fluid flowing through a pipe or an oil and gas wellbore are described. Fluid flowing through a conduit containing the particulate solids is exposed to a fixed frequency (>1 MHz) of ultrasonic vibrations from a transducer attached to the outside of the pipe. The returning Doppler frequency shifted signal derived from the scattering of sound from the moving solid particles is detected by an adjacent transducer. The transmitted signal and the Doppler signal are combined to provide sensitive particulate detection. The magnitude of the signal and the Doppler frequency shift are used to determine the particle size distribution and the velocity of the particles. Measurement of the phase shift between the applied frequency and the detected Doppler shifted may be used to determine the direction of motion of the particles.

  7. Detection of Ammonia in Liquids Using Millimeter Wave Spectroscopy

    Directory of Open Access Journals (Sweden)

    Hilmi Ozturk

    2012-01-01

    Full Text Available Detection of ammonia plays a vital role for counter-bioterrorism applications. Using millimeter wave absorption measurements, ammonia dissolved in water solution is analyzed and compared to water-only solution. The inversion of ammonia molecule results in split rotational spectral lines and transitions of these lines can be detected. Two-port measurements were carried out with vector network analyzer and measurements revealed that ammonia presence can be identified, especially between 30–35 GHz.

  8. Photoacoustic Spectroscopy with Quantum Cascade Lasers for Trace Gas Detection

    OpenAIRE

    Gaetano Scamarcio; Pietro Mario LugarÃ; Cinzia Di Franco; Angela Elia

    2006-01-01

    Various applications, such as pollution monitoring, toxic-gas detection, non invasive medical diagnostics and industrial process control, require sensitive and selective detection of gas traces with concentrations in the parts in 109 (ppb) and sub-ppb range. The recent development of quantum-cascade lasers (QCLs) has given a new aspect to infrared laser-based trace gas sensors. In particular, single mode distributed feedback QCLs are attractive spectroscopic sources because of their excellent...

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

    OpenAIRE

    Adamson, Teagan L.; Cook, Curtiss B.; LaBelle, Jeffrey T.

    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 imp...

  10. Detection of Occupancy Differences in Methane Gas Hydrates by Raman Spectroscopy

    DEFF Research Database (Denmark)

    Hansen, Susanne Brunsgaard; Berg, Rolf W.; Stenby, Erling Halfdan

    2004-01-01

    reservoir fluids due to plugging. Methods to prevent hydrate formation are in use, e.g. by injection of inhibitors. From environmental and security points of view an easy way to detect hydrate formation is of interest. We have tried to detect methane hydrate formation by use of Raman spectroscopy....

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

    Science.gov (United States)

    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...

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

    Science.gov (United States)

    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

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

    Science.gov (United States)

    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.

  14. Communication: Atomic force detection of single-molecule nonlinear optical vibrational spectroscopy

    International Nuclear Information System (INIS)

    Atomic Force Microscopy (AFM) allows for a highly sensitive detection of spectroscopic signals. This has been first demonstrated for NMR of a single molecule and recently extended to stimulated Raman in the optical regime. We theoretically investigate the use of optical forces to detect time and frequency domain nonlinear optical signals. We show that, with proper phase matching, the AFM-detected signals closely resemble coherent heterodyne-detected signals. Applications are made to AFM-detected and heterodyne-detected vibrational resonances in Coherent Anti-Stokes Raman Spectroscopy (χ(3)) and sum or difference frequency generation (χ(2))

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

    Science.gov (United States)

    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. Detection of contaminants along boreholes with prompt gamma spectroscopy

    International Nuclear Information System (INIS)

    Geophysical borehole logging techniques are used for estimating subsurface physical, chemical, geologic, and hydrologic parameters. Nuclear borehole logging techniques have advantages and disadvantages that tend to be complementary to those of physical sampling, and these in situ measurements can help address the drawbacks of physical sampling, including high costs, lengthy delays in obtaining results of analyses from laboratories, undersampling, sample-handling problems, and ambiguity in long-term monitoring. As part of an effort to reduce environmental restoration costs, we are evaluating in situ neutron-induced gamma-ray spectroscopy (multispectral) measurements in boreholes to map environmental contaminants. It has been known for some time that this technology is capable of identifying many elements, but earlier borehole equipment was not very sensitive

  17. Detection of contaminants along boreholes with prompt gamma spectroscopy

    International Nuclear Information System (INIS)

    Geophysical borehole logging techniques are used for estimating subsurface physical, chemical, geological, and hydrological parameters. Nuclear borehole logging techniques have advantages and disadvantages that tend to be complementary to those of physical sampling and these in situ measurements can help address the drawbacks of physical sampling, including high costs, lengthy delays in obtaining results of analyses from laboratories/under sampling, sample handling problems, and ambiguity in long-term monitoring. As part of an effort to reduce environmental restoration costs, we are evaluating in-situ neutron-induced gamma-ray spectroscopy (multispectral) measurements in boreholes to map environmental contaminants. It has been known for some time that this technology is capable of identifying many elements, but earlier borehole equipment was not very sensitive

  18. Raman spectroscopy for detection of stretched DNAs on superhydrophobic surfaces

    KAUST Repository

    Marini, Monica

    2014-05-01

    A novel approach for the study of low concentrated DNAs (60 pM) using microRaman spectroscopy is reported. A superhydrophobic substrate with array of microPillars is fabricated over which the sample was drop casted. The substrate concentrates the molecules in a very small area with higher molecular density, enabling to carry out the microRaman measurements. Two different DNAs (single strand and double strand) were used to investigate through Raman technique. A spectral Raman difference was found to distinguish the ssDNA and dsDNAs. The approach can be of interest for a wide variety of applications ranging from biological materials interactions characterization to the biomedical field. © 2014 Elsevier B.V. All rights reserved.

  19. Detection of single atoms by resonance ionization spectroscopy

    International Nuclear Information System (INIS)

    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 81Kr using RIS has interesting applications for solar neutrino research, ice-cap dating, and groundwater dating. 39 refs., 7 figs., 2 tabs

  20. Spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Hellman, Hal

    1968-01-01

    This booklet discusses spectroscopy, the study of absorption of radiation by matter, including X-ray, gamma-ray, microwave, mass spectroscopy, as well as others. Spectroscopy has produced more fundamental information to the study of the detailed structure of matter than any other tools.

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

    Science.gov (United States)

    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.

  2. Radiocarbon Dioxide detection based on Cavity Ring-Down Spectroscopy and a Quantum Cascade Laser

    OpenAIRE

    Genoud, Guillaume; Vainio, Markku; Phillips, Hilary; Dean, Julian; Merimaa, Mikko

    2015-01-01

    Monitoring of radiocarbon ($^{14}$C) 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 standardised sample containing elevated levels of radiocarbon. Radiocarbon dioxide could be detected from samples with an isotopic ratio $^{14}$C/C as low as 50 parts-per-trillion, corresponding to an activity of 5 k...

  3. Challenges of Using MR Spectroscopy to Detect Neural Progenitor Cells In Vivo

    OpenAIRE

    Dong, Z.; Dreher, W.; Leibfritz, D; Peterson, B.S.

    2009-01-01

    A recent report of detection of neural progenitor cells (NPCs) in living human brain by using in vivo proton MR spectroscopy (1H-MR spectroscopy) has sparked great excitement in the field of biomedicine because of its potential influence and utility in clinical neuroscience research. On the other hand, the method used and the findings described in the report also caused heated debate and controversy. In this article, we will briefly detail the reasons for the debate and controversy from the p...

  4. Spectroscopy

    CERN Document Server

    Walker, S

    1976-01-01

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

  5. Modeling the attenuated total reflectance infrared (ATR-FTIR) spectrum of apatite

    Science.gov (United States)

    Aufort, Julie; Ségalen, Loïc; Gervais, Christel; Brouder, Christian; Balan, Etienne

    2016-06-01

    Attenuated total reflectance (ATR) infrared spectra were measured on a synthetic and a natural fluorapatite sample. A modeling approach based on the computation of the Fresnel reflection coefficient between the ATR crystal and the powder sample was used to analyze the line shape of the spectra. The dielectric properties of the samples were related to those of pure fluorapatite using an effective medium approach, based on Maxwell-Garnett and Bruggeman models. The Bruggeman effective medium model leads to a very good agreement with the experimental data recorded on the synthetic fluorapatite sample. The poorer agreement observed on the natural sample suggests a more significant heterogeneity of the sample at a characteristic length scale larger than the mid-infrared characteristic wavelength, i.e., about 10 micrometers. The results demonstrate the prominent role of macroscopic electrostatic effects over fine details of the microscopic structure in determining the line shape of strong ATR bands.

  6. ATR-FTIR investigations of secondary structure of lyophilized proteins in water and deuterated water

    International Nuclear Information System (INIS)

    The conformational and structural changes due to lyophilization of bovine hemoglobin, casein and trypsin of neutral pH value have been studied by FT-IR spectrometry using an Attenuated Total Reflectance (ATR) accessory (Bruker EQUINOX 55 spectrometer). Lyophilization induced significant structural alterations in proteins, characterized by a decrease in the α-helix and a significant increase in the β-sheet content. The proteins were lyophilized from twice-distilled water solution and deuterated water solution. The secondary structure was quantitatively determined using the second derivative of the protein spectra and curve fitting procedures to resolve the overlapping components under the amide I contour. The band of amide I, is due to the in-plane C=O stretching vibration, weakly coupled with C-N stretching and in-plane N-H bending. Each type of secondary structure (i.e. α-helix, β-sheet, β-turn and disordered) gives rise to different C-O stretching frequencies, hence, results in characteristic band positions which are designated by wavenumber (cm-1). In the Fourier domain derivative, the second-derivative analysis of infrared spectra allows direct quantitative analysis of the secondary structural components of proteins. Thus, the areas corresponding to the different types of secondary structure are quantitatively and qualitatively evaluated by integration and curve fitting. The second derivatives of all spectra were calculated using the spectrometer software OPUS. Before starting the fitting procedure, the obtained depths of the minima in the second derivative spectrum and, subsequently, the calculated maximum intensities were corrected for the interference of all neighboring peaks. The curve fitting is performed by stepwise iterative adjustment towards a minimum root-mean-square error of the different parameters determining the shape and position of the absorption peaks. (author)

  7. Attenuated total reflection Fourier-transform infrared (ATR-FTIR) imaging of tissues and live cells.

    Science.gov (United States)

    Andrew Chan, K L; Kazarian, Sergei G

    2016-03-29

    FTIR spectroscopic imaging is a label-free, non-destructive and chemically specific technique that can be utilised to study a wide range of biomedical applications such as imaging of biopsy tissues, fixed cells and live cells, including cancer cells. In particular, the use of FTIR imaging in attenuated total reflection (ATR) mode has attracted much attention because of the small, but well controlled, depth of penetration and corresponding path length of infrared light into the sample. This has enabled the study of samples containing large amounts of water, as well as achieving an increased spatial resolution provided by the high refractive index of the micro-ATR element. This review is focused on discussing the recent developments in FTIR spectroscopic imaging, particularly in ATR sampling mode, and its applications in the biomedical science field as well as discussing the future opportunities possible as the imaging technology continues to advance. PMID:26488803

  8. Chemical agent detection by surface-enhanced Raman spectroscopy

    Science.gov (United States)

    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.

  9. Methylmercury chloride damage to the adult rat hippocampus cannot be detected by proton magnetic resonance spectroscopy

    Institute of Scientific and Technical Information of China (English)

    Zhiyan Lu; Jinwei Wu; Guangyuan Cheng; Jianying Tian; Zeqing Lu; Yongyi Bi

    2014-01-01

    Previous studies have found that methylmercury can damage hippocampal neurons and accord-ingly cause cognitive dysfunction. However, a non-invasive, safe and accurate detection method for detecting hippocampal injury has yet to be developed. This study aimed to detect methylmer-cury-induced damage on hippocampal tissue using proton magnetic resonance spectroscopy. Rats were given a subcutaneous injection of 4 and 2 mg/kg methylmercury into the neck for 50 consecutive days. Water maze and pathology tests confirmed that cognitive function had been impaired and that the ultrastructure of hippocampal tissue was altered after injection. The results of proton magnetic resonance spectroscopy revealed that the nitrogen-acetyl aspartate/creatine, choline complex/creatine and myoinositol/creatine ratio in rat hippocampal tissue were unchanged. Therefore, proton magnetic resonance spectroscopy can not be used to determine structural damage in the adult rat hippocampus caused by methylmercury chloride.

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

    Science.gov (United States)

    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

  11. One-atom detection using resonance ionization spectroscopy

    International Nuclear Information System (INIS)

    A new measuring technique which can detect a single atom of a given kind, even in the presence of 1019 or more atoms of another kind, with good space and time resolution, was utilized to study the density fluctuation of less than 100 cesium atoms in a small volume of space filled with inert gases. Repeated measurements of the absolute number of atoms in a defined volume at an arbitrary time were recorded for the first time in order to obtain a statistical distribution giving the fluctuation of the number of atoms around the mean value. Numerous other physics applications of the one-atom detector are briefly described

  12. Optical spectroscopy for the detection of ischemic tissue injury

    Science.gov (United States)

    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.

  13. Sensitive Detection of Cold Cesium Molecules by Radiative Feshbach Spectroscopy

    OpenAIRE

    Chin, Cheng; Kerman, Andrew J.; Vuletić, Vladan; Chu, Steven

    2002-01-01

    We observe the dynamic formation of $Cs_2$ molecules near Feshbach resonances in a cold sample of atomic cesium using an external probe beam. This method is 300 times more sensitive than previous atomic collision rate methods, and allows us to detect more than 20 weakly-coupled molecular states, with collisional formation cross sections as small as $\\sigma =3\\times 10^{-16}$cm$^2$. We propose a model to describe the atom-molecule coupling, and estimate that more than $2 \\times 10^5$ $Cs_2$ mo...

  14. Valence-to-core-detected X-ray absorption spectroscopy

    DEFF Research Database (Denmark)

    Hall, Eleanor R.; Pollock, Christopher J.; Bendix, Jesper;

    2014-01-01

    transitions from filled ligand orbitals to the metal 1s core hole, with distinct energetic shifts for ligands of differing ionization potentials. VtC-detected XAS data were obtained from multiple valence emission features for a series of well-characterized Mn model compounds; taken together, these data...... XAS, nonresonant XES, and VtC RXES data were all modeled within a density functional theory approach. While the TFY XAS and nonresonant XES data are readily interpreted by theory, the VtC RXES cannot be reproduced within such a simplified model. Nonetheless, dramatic changes in the experimental...

  15. 15N-urea tracing emission spectroscopy for detecting the infection of Helicobacter pylori

    International Nuclear Information System (INIS)

    Objective: To study a noninvasive and nonradioactive method, 15N-urea tracing emission spectroscopy, for detecting the Helicobacter pylori (Hp) infection. Methods: A group of 26 patients was tested with a method of 15N-urea tracing emission spectroscopy for detecting the Hp infection. Results: Taking the bacterial culture or (and) Gram stain as a standard, the specificity, sensitivity and positive predicting rate of the test were 81%, 89% and 84%, respectively. Conclusion: The method could be considered useful for clinical practice

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

    Science.gov (United States)

    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.

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

    Science.gov (United States)

    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.

  18. Radiation detection system for portable gamma-ray spectroscopy

    Science.gov (United States)

    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.

  19. Large Scale Plasmonic nanoCones array For Spectroscopy Detection

    KAUST Repository

    Das, Gobind

    2015-09-24

    Advanced optical materials or interfaces are gaining attention for diagnostic applications. However, the achievement of large device interface as well as facile surface functionalization largely impairs their wide use. The present work is aimed to address different innovative aspects related to the fabrication of large area 3D plasmonic arrays, their direct and easy functionalization with capture elements and their spectroscopic verifications through enhanced Raman and enhanced fluorescence techniques. In detail we have investigated the effect of Au-based nanoCones array, fabricated by means of direct nanoimprint technique over large area (mm2), on protein capturing and on the enhancement in optical signal. A selective functionalization of gold surfaces was proposed by using a peptide (AuPi3) previously selected by phage display. In this regard, two different sequences, labeled with fluorescein and biotin, were chemisorbed on metallic surfaces. The presence of Au nanoCones array consents an enhancement in electric field on the apex of cone, enabling the detection of molecules. We have witnessed around 12-fold increase in fluorescence intensity and SERS enhancement factor around 1.75 ×105 with respect to the flat gold surface. Furthermore, a sharp decrease in fluorescence lifetime over nanoCones confirms the increase in radiative emission (i.e. an increase in photonics density at the apex of cones).

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

    Science.gov (United States)

    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.

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

    Science.gov (United States)

    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.

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

    Science.gov (United States)

    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

  3. Detection of plant oil addition to cheese by synchronous fluorescence spectroscopy

    OpenAIRE

    Dankowska, Anna; Małecka, Maria; Kowalewski, Wojciech

    2015-01-01

    The fraudulent addition of plant oils during the manufacturing of hard cheeses is a real issue for the dairy industry. Considering the importance of monitoring adulterations of genuine cheeses, the potential of fluorescence spectroscopy for the detection of cheese adulteration with plant oils was investigated. Synchronous fluorescence spectra were collected within the range of 240 to 700 nm with different wavelength intervals. The lowest detection limits of adulteration, 3.0 and 4.4%, respect...

  4. Surface enhanced raman spectroscopy for ultra-sensitive detection of energetic materials

    OpenAIRE

    Syed, Azfar A.

    2010-01-01

    The prospect of ultra-sensitive detection of molecular species, particularly those of energetic materials, has prompted the present research initiative. The combination of metal surface nano-technology and Raman spectroscopy has given rise to ‘Surface Enhanced Raman Spectroscopy’ (SERS). This is a very sensitive technique and has proved to be capable of detecting a single molecule. SERS was demonstrated by recording Raman spectra of the sample molecules adsorbed on various s...

  5. PECVD Chamber Cleaning End Point Detection (EPD) Using Optical Emission Spectroscopy Data

    OpenAIRE

    Sang Jeen Hong; Ho Jae Lee; Dongsun Seo; Gary S. May

    2013-01-01

    In-situ optical emission spectroscopy (OES) is employed for PECVD chamber monitoring. OES is used as an addonsensor to monitoring and cleaning end point detection (EPD). On monitoring plasma chemistry using OES, theprocess gas and by-product gas are simultaneously monitored. Principal component analysis (PCA) enhances thecapability of end point detection using OES data. Through chamber cleaning monitoring using OES, cleaning time isreduced by 53%, in general. Therefore, the gas usage of fluor...

  6. Detection of Nitroaromatic and Peroxide Explosives in Air Using Infrared Spectroscopy: QCL and FTIR

    OpenAIRE

    Leonardo C. Pacheco-Londoño; John R. Castro-Suarez; Samuel P. Hernández-Rivera

    2013-01-01

    A methodology for processing spectroscopic information using a chemometrics-based analysis was designed and implemented in the detection of highly energetic materials (HEMs) in the gas phase at trace levels. The presence of the nitroaromatic HEM 2,4-dinitrotoluene (2,4-DNT) and the cyclic organic peroxide triacetone triperoxide (TATP) in air was detected by chemometrics-enhanced vibrational spectroscopy. Several infrared experimental setups were tested using traditional heated sources (globar...

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

    Science.gov (United States)

    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.

  8. Low-power Terahertz Time-Domain Spectroscopy with optimized electro-optical detection

    DEFF Research Database (Denmark)

    Gorenflo, Stefan; Hinkov, Iliyana; Lambrecht, Armin;

    2005-01-01

    A Terahertz Time-Domain Spectroscopy (THz-TDS) system with electro-optical detector based on a ZnTe crystal is presented. The pump laser is a Ti:Sa laser with pulse duration of approx. 10 fs at a central wavelength of 800 nm. Using an optimized detection configuration, a signal-to-noise ratio...

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

    NARCIS (Netherlands)

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

    2015-01-01

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

  10. Combination of Micro-fluidic Chip with Fluorescence Correlation Spectroscopy for Single Molecule Detection

    Institute of Scientific and Technical Information of China (English)

    2006-01-01

    A single molecule detection technique was developed by the combination of a single channel poly (dimethylsiloxane)/glass micro-fluidic chip and fluorescence correlation spectroscopy (FCS). This method was successfully used to determine the proportion of two model components in the mixture containing fluorescein and the rhodamine-green succinimidyl ester.

  11. In vivo and in situ detection of colorectal cancer using Fourier transform infrared spectroscopy

    Institute of Scientific and Technical Information of China (English)

    Qing-Bo Li; Xiao-Si Zhou; Jing-Sen Shi; Jin-Guang Wu; Zhi Xu; Neng-Wei Zhang; Li Zhang; Fan Wang; Li-Min Yang; Jian-Sheng Wang; Su Zhou; Yuan-Fu Zhang

    2005-01-01

    AIM: Real-time and rapid identification of the malignant tissue can be performed during or before surgical operation.Here we aimed to detect in vivo and in situ colorectal cancer by using Fourier transform infrared (FTIR) spectroscopy and fiber-optic technology.METHODS: A total of five patients with large intestine cancer were detected in vivo and in situ. Of them, three cases of colon cancer and one case of cecum cancer were detected intraoperatively and in vivo by using a FTIR spectrometer during surgical operation, and one case of rectum cancer was explored non-invasively and in vivo before the surgical operation. Normal and malignant colorectal tissues were detected in vivo and in situ using FTIR spectroscopy on the basis of fundamental studies.RESULTS: There were significant differences between FTIR spectra of normal and malignant colorectal tissues detected in vivo and in situ. Experimental results revealed that the spectral characteristics of normal and malignant tissues found in vivo and in situ were similar to those obtained from in vitro measurement in our previous fundamental research.CONCLUSION: FTIR fiber-optic attenuated total reflectance (ATR) spectroscopy can identify in situ and in vivo colorectal cancer. FTIR spectroscopic method with fiber optics is a non-invasive, rapid, accurate and in vivo cancer detection technique in clinical diagnosis.

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

    Science.gov (United States)

    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

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

    Science.gov (United States)

    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.

  14. Short communication: rapid detection of milk fat adulteration with vegetable oil by fluorescence spectroscopy.

    Science.gov (United States)

    Ntakatsane, M P; Liu, X M; Zhou, P

    2013-04-01

    This study assessed the potential application of fluorescence spectroscopy in detecting adulteration of milk fat with vegetable oil and characterizing the samples according to the source of the fat. Pure butterfat was adulterated with different vegetable oils at various concentrations (0, 5, 10, 15, 20, 30, and 40%). Nonfat and reduced-fat milk were also adulterated with vegetable oils to simulate full-fat milk (3.2%). The 2- and 3-dimensional front-face fluorescence spectroscopy and gas chromatography were used to obtain the fluorescence spectra and fatty acid profile, respectively. Principal component analysis and 3-way partial least squares regression analysis were applied to analyze the data. The pure and adulterated samples were discriminated based on the total concentration of saturated fatty acids and unsaturated fatty acids, and also on the 3 major fluorophores: tryptophan, tocopherols, and riboflavin. Fluorescence spectroscopy was able to detect up to 5% of adulteration of vegetable oil into the butterfat. The saturated fatty acids showed higher predictability than the unsaturated fatty acids (R(2) = 0.73-0.92 vs. 0.20-0.65, respectively). The study demonstrated the high potential of fluorescence spectroscopy to rapidly detect adulteration of milk fat with vegetable oil, and discriminate commercial butter and milk according to the source of the fat. PMID:23415535

  15. Detection Limit of Glucose Concentration with Near-Infrared Absorption and Scattering Spectroscopy

    Institute of Scientific and Technical Information of China (English)

    LUO Yun-Han; HUANG Fu-Rong; LI Shi-Ping; CHEN Zhe

    2008-01-01

    @@ Theoretical analyses and Monte Carlo simulation are performed to investigate the detection limit of glucose concentration with near-infrared spectroscopy.The relation between detection limitation of glucose concentration and source-detector separation is derived.Monte Carlo simulation performed with a skin-layered model shows that the ratio of effective photons from the target layer could excess 50% by selecting proper source-detector separation,and that the detection limit of glucose concentration approaches to 0.28mM,which satisfies the requirement of food and drug administration for noninvasive glucose sensing.

  16. 30% improvement in absorption spectroscopy detectivity achieved by the detuned loading of a quantum cascade laser.

    Science.gov (United States)

    Michel, Florian; Juretzka, Carsten; Carras, Mathieu; Elsäßer, Wolfgang

    2014-11-01

    We perform a direct absorption spectroscopy experiment of carbon monoxide at 2193  cm(-1) by exploring the detectivity improvement potential of an intensity noise (IN)-reduced distributed feedback (DFB) quantum cascade laser. This was achieved by a detuned loading approach via a short, phase-sensitive optical feedback cavity. Under optimum IN reduction conditions, we obtain an improvement in signal-to-noise ratio from 733 to 1048, which transfers into a detection limit improvement from 1.2 ppm to 840 ppb. Therefore, we achieve a 30% lower detection limit, with the IN reduced when compared to the free-running case. PMID:25361352

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

    International Nuclear Information System (INIS)

    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

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

    Science.gov (United States)

    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.

  19. Spectroscopy

    DEFF Research Database (Denmark)

    Berg, Rolf W.

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

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

    Science.gov (United States)

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

    2005-10-01

    With the rapid development of the GMO, more and more GMO food has been pouring into the market. Much attention has been paid to GMO labeling under the controversy of GMO safety. Transgenic corns and their parents were scanned by continuous wave of near infrared diffuse reflectance spectroscopy range of 12000-4000 cm(-1); the resolution was 4 cm(-1); scanning was carried out for 64 times; BP algorithm was applied for data processing. The GMO food was easily resolved. Near-infrared diffuse reflectance spectroscopy is unpolluted and inexpensive compared with PCR and ELISA, so it is a very promising detection method for GMO food. PMID:16395887

  1. Detection and quantification of poliovirus infection using FTIR spectroscopy and cell culture

    Directory of Open Access Journals (Sweden)

    Lee-Montiel Felipe T

    2011-12-01

    Full Text Available Abstract Background In a globalized word, prevention of infectious diseases is a major challenge. Rapid detection of viable virus particles in water and other environmental samples is essential to public health risk assessment, homeland security and environmental protection. Current virus detection methods, especially assessing viral infectivity, are complex and time-consuming, making point-of-care detection a challenge. Faster, more sensitive, highly specific methods are needed to quantify potentially hazardous viral pathogens and to determine if suspected materials contain viable viral particles. Fourier transform infrared (FTIR spectroscopy combined with cellular-based sensing, may offer a precise way to detect specific viruses. This approach utilizes infrared light to monitor changes in molecular components of cells by tracking changes in absorbance patterns produced following virus infection. In this work poliovirus (PV1 was used to evaluate the utility of FTIR spectroscopy with cell culture for rapid detection of infective virus particles. Results Buffalo green monkey kidney (BGMK cells infected with different virus titers were studied at 1 - 12 hours post-infection (h.p.i.. A partial least squares (PLS regression method was used to analyze and model cellular responses to different infection titers and times post-infection. The model performs best at 8 h.p.i., resulting in an estimated root mean square error of cross validation (RMSECV of 17 plaque forming units (PFU/ml when using low titers of infection of 10 and 100 PFU/ml. Higher titers, from 103 to 106 PFU/ml, could also be reliably detected. Conclusions This approach to poliovirus detection and quantification using FTIR spectroscopy and cell culture could potentially be extended to compare biochemical cell responses to infection with different viruses. This virus detection method could feasibly be adapted to an automated scheme for use in areas such as water safety monitoring and

  2. Spatial Spectroscopy Approach for Detection of Internal Defect of Component without Zero-Position Sensors

    Directory of Open Access Journals (Sweden)

    Qizhou Wu

    2016-01-01

    Full Text Available Conventional approach to detect the internal defect of a component needs sensors to mark the “zero” positions, which is time-consuming and lowers down the detecting efficiency. In this study, we proposed a novelty approach that uses spatial spectroscopy to detect internal defect of objects without zero-position sensors. Specifically, the spatial variation wave of distance between the detecting source and object surface is analyzed, from which a periodical cycle is determined with the correlative approaches. Additionally, a wavelet method is adopted to reduce the noise of the periodic distance signal. This approach is validated by the ultrasound detection of a component with round cross section and elliptical shape in axis. The experimental results demonstrate that this approach greatly saves the time spent on the judgment of a complete cycle and improves the detecting efficiency of internal defect in the component. The approach can be expanded to other physical methods for noninvasive detection of internal defect, such as optical spectroscopy or X-ray scanning, and it can be used for hybrid medium, such as biological tissues.

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

    Directory of Open Access Journals (Sweden)

    Derek Craig

    Full Text Available 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.

  4. Label-Free Toxin Detection by Means of Time-Resolved Electrochemical Impedance Spectroscopy

    Directory of Open Access Journals (Sweden)

    Paul Takhistov

    2010-01-01

    Full Text Available 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.

  5. [Progress in Application of Two-Dimensional Correlation Spectroscopy for Detection of Food Quality].

    Science.gov (United States)

    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

  6. Accelerated Detection of Viral Particles by Combining AC Electric Field Effects and Micro-Raman Spectroscopy

    Directory of Open Access Journals (Sweden)

    Matthew Robert Tomkins

    2015-01-01

    Full Text Available A detection method that combines electric field-assisted virus capture on antibody-decorated surfaces with the “fingerprinting” capabilities of micro-Raman spectroscopy is demonstrated for the case of M13 virus in water. The proof-of-principle surface mapping of model bioparticles (protein coated polystyrene spheres captured by an AC electric field between planar microelectrodes is presented with a methodology for analyzing the resulting spectra by comparing relative peak intensities. The same principle is applied to dielectrophoretically captured M13 phage particles whose presence is indirectly confirmed with micro-Raman spectroscopy using NeutrAvidin-Cy3 as a labeling molecule. It is concluded that the combination of electrokinetically driven virus sampling and micro-Raman based signal transduction provides a promising approach for time-efficient and in situ detection of viruses.

  7. Detection of denatonium benzoate (bitrex) remnants in noncommercial alcoholic beverages by Raman spectroscopy.

    Science.gov (United States)

    Kwiatkowski, Andrzej; Czerwicka, Małgorzata; Smulko, Janusz; Stepnowski, Piotr

    2014-09-01

    Illegal alcoholic beverages are often introduced into market using cheap technical alcohol, which is contaminated by denatonium benzoate (Bitrex) of very small concentration. Bitrex is the most bitter chemical compound and has to be removed before alcohol consumption. The home-made methods utilize sodium hypochlorite to disintegrate particles of denatonium benzoate in alcohol and to remove bitter taste before trading. In this experimental studies, we propose a novel method that detects in a fast way the remnants of denatonium benzoate in dubious alcohol samples by Raman spectroscopy. This method applies a portable Raman spectrometer of excitation wavelength 785 nm and utilizes the effect of surface-enhanced Raman spectroscopy (SERS) to recognize the suspected alcoholic beverages. High effectiveness (over 98%) of YES/NO classification of the investigated samples was observed when the nonlinear algorithm support vector machine (SVM) was exploited at carefully adjusted detection parameters. The method can identify illicit alcohol within minutes. PMID:24661259

  8. Detection of hyaluronidase activity using fluorescein labeled hyaluronic acid and fluorescence correlation spectroscopy

    OpenAIRE

    Rich, Ryan M.; Mummert, Mark; Foldes-Papp, Zeno; Gryczynski, Zygmunt; Borejdo, Julian; Gryczynski, Ignacy; Fudala, Rafal

    2012-01-01

    The over-expression of hyaluronidase has been observed in many types of cancer, suggesting that it may have utility for diagnosis. Here we present a technique for the detection of hyaluronidase using Fluorescence Correlation Spectroscopy (FCS). Hyaluronan macromolecules (HAs) have been heavily labeled with fluorescein amine resulting in strong self-quenching. In the presence of hyaluronidase, HA is cleaved into smaller, fluorescein-labeled fragments and the self-quenching is released. Such cl...

  9. An Approach for Routine Analytical Detection of Beeswax Adulteration Using FTIR-ATR Spectroscopy

    OpenAIRE

    Svečnjak Lidija; Baranović Goran; Vinceković Marko; Prđun Saša; Bubalo Dragan; Tlak Gajger Ivana

    2015-01-01

    Although beeswax adulteration represents one of the main beeswax quality issues, there are still no internationally standardised analytical methods for routine quality control. The objective of this study was to establish an analytical procedure suitable for routine detection of beeswax adulteration using FTIR-ATR spectroscopy. For the purpose of this study, reference IR spectra of virgin beeswax, paraffin, and their mixtures containing different proportions of paraffin (5 - 95%), were obtain...

  10. Detection and Classification of Live and Dead Escherichia coli by Laser-Induced Breakdown Spectroscopy

    OpenAIRE

    P. Sivakumar; Fernández-Bravo, A.; Taleh, L.; J. F. Biddle; Melikechi, N.

    2015-01-01

    A common goal for astrobiology is to detect organic materials that may indicate the presence of life. However, organic materials alone may not be representative of currently living systems. Thus, it would be valuable to have a method with which to determine the health of living materials. Here, we present progress toward this goal by reporting on the application of laser-induced breakdown spectroscopy (LIBS) to study characteristics of live and dead cells using Escherichia coli (E. coli) stra...

  11. Simultaneous detection of potassium, water vapor and temperature with tunable diode laser absorption spectroscopy

    OpenAIRE

    Norén, Edvin

    2015-01-01

    Existing tunable diode laser absorption spectroscopy (TDLAS) sensors for potassium (K) and for water vapor (H2O) and temperature were combined to enable simultaneous measurements in combustion and gasification processes. In-situ real-time detection of the above mentioned combustion parameters will improve the understanding of ash-formation during thermochemical conversion of biomass. Simultaneous measurements facilitate the experimental procedure and decrease the methodological uncertainty in...

  12. A nanoporous optofluidic microsystem for highly sensitive and repeatable surface enhanced Raman spectroscopy detection

    OpenAIRE

    Yazdi, Soroush H.; White, Ian M.

    2012-01-01

    We report the demonstration of an optofluidic surface enhanced Raman spectroscopy (SERS) device that leverages a nanoporous microfluidic matrix to improve the SERS detection performance by more than two orders of magnitude as compared to a typical open microfluidic channel. Although it is a growing trend to integrate optical biosensors into microfluidic channels, this basic combination has been detrimental to the sensing performance when applied to SERS. Recently, however, synergistic combina...

  13. Photonic Methods to Enhance Fluorescence Correlation Spectroscopy and Single Molecule Fluorescence Detection

    OpenAIRE

    Hervé Rigneault; Jérome Wenger

    2010-01-01

    Recent advances in nanophotonics open the way for promising applications towards efficient single molecule fluorescence analysis. In this review, we discuss how photonic methods bring innovative solutions for two essential questions: how to detect a single molecule in a highly concentrated solution, and how to enhance the faint optical signal emitted per molecule? The focus is set primarily on the widely used technique of fluorescence correlation spectroscopy (FCS), yet the discussion can be ...

  14. Detection of human colonic adenoma by laser-induced autofluorescence integrated with diffuse reflectance spectroscopy

    Science.gov (United States)

    Tang, Guilin; Lu, Haibao; Zhang, Yangde; Yan, Shuhua; Chen, Zhifeng

    2000-10-01

    A combined in vivo measurement system integrating laser- induced autofluorescence (LIAF) and diffuse reflectance spectroscopy (DRS) measurement was developed and investigated for detecting colonic adenoma. The system could work with regular endoscopy examination. A three- layer backpropagating neural network (BNN) was built to differentiate the two tissue classes. The preliminary results gave the mean predictive accuracy, sensitivity and specificity better than either of the two methods used alone.

  15. Potential and limits of Raman spectroscopy for carotenoid detection in microorganisms: implications for astrobiology

    OpenAIRE

    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...

  16. Ultrafast geometric manipulation of electron spin and detection of the geometric phase via Faraday rotation spectroscopy

    CERN Document Server

    Li Xue Qian; Cen, L X; Zheng, H Z; Yan, Y J; Li, Xin-Qi; Hu, Cheng-Yong; Cen, Li-Xiang; Zheng, Hou-Zhi; Yan, YiJing

    2002-01-01

    Time-resolved Faraday rotation spectroscopy is currently exploited as a powerful technique to probe spin dynamics in semiconductors. We propose here an all-optical approach to geometrically manipulate electron spin and to detect the geometric phase by this type of extremely sensitive experiment. The global nature of the geometric phase can make the quantum manipulation more stable, which may find interesting application in quantum devices.

  17. Metabolic phenotyping by 1H-NMR spectroscopy detects lung cancer via a simple blood sample

    OpenAIRE

    Louis,Evelyne; MESOTTEN, Liesbet; Thomeer, Michiel; Vandeurzen, Kurt; Darquennes, Karen; Vanhove, Karolien; Reekmans, Gunter; Adriaensens, Peter

    2013-01-01

    Introduction: Lung cancer is the leading cause of cancer death worldwide. There is an urgent need of effective methods to detect lung cancer. Accumulating evidence shows that the metabolism of cancer cells differs from that of normal cells. Disturbances in biochemical pathways which occur during the development of cancer provoke changes in the metabolic phenotype. Objective: To determine the metabolic phenotype of lung cancer by 1H-NMR spectroscopy. Methods: Fasting venous blood samples of 78...

  18. Standoff Time-Resolved Laser-Based Spectroscopy Tools for Sample Characterization and Biosignature Detection

    Science.gov (United States)

    Gasda, P. J.; Acosta-Maeda, T.; Lucey, P. G.; Misra, A. K.; Sharma, S. K.; Taylor, J.

    2014-12-01

    The NASA Mars2020 rover will be searching for signs of past habitability and past life on Mars. Additionally, the rover mission will prepare a cache of highly significant samples for a future sample return mission. NASA requires these samples to be well characterized; the instruments on the rover must be capable of fine-scale in situ mineralogical or elemental analysis with emphasis on biosignature detection or characterization. We have been developing multiple standoff laser-based instruments at the University of Hawaii, Manoa that are capable of fine-scale in situ chemical analysis and biosignatures detection. By employing a time-resolved spectroscopy, we can perform elemental analysis with Laser-Induced Breakdown Spectroscopy (LIBS), mineral and organic analysis with Raman spectroscopy, and biosignature detection with Laser-Induced Fluorescence (LIF). Each of these techniques share the same optics and detection equipment, allowing us to integrate them into a single, compact instrument. High time-resolution (~100 ns/pulse) is the key to this instrument; with it, the detector only records data when the signal is the brightest. Spectra can be taken during the day, LIBS can be measured without a plasma light background, and the Raman signal can be separated from the mineral fluorescence signal. Since bio-organics have very short fluorescence lifetimes, the new instrument can be used to unambiguously detect bio-organics. The prototype uses a low power (0.5 mJ/pulse) 532 nm laser with a detection limit of drill holes, or outcrops, and then allow the slower but more precise instruments on the rover to characterize the regions of interest. Either of these prototypes would be ideally suited for future NASA missions, including human exploration missions. The next iterations of the instruments will be designed specifically for future astronaut explorers.

  19. Detection of gamma-irradiated peanuts by ESR spectroscopy and GC analysis of hydrocarbons

    International Nuclear Information System (INIS)

    Peanuts were analyzed by electron spin resonance (ESR) spectroscopy and gas chromatography (GC) before and after gamma irradiation. Using European protocols, the validity and effectiveness of these two techniques were compared with regard to sample preparation, sample and solvent consumption and dose-response curves after irradiation. The results showed the possibility of using ESR and GC for distinguishing between irradiated and unirradiated peanuts. A radiation dose of 0.1 kGy could be detected by ESR but not by GC. The results also indicated that GC is an effective method for qualitative analysis of irradiated peanut, while ESR is suitable for the rapid detection of irradiated peanuts.

  20. Detecting cell-adhesive sites in extracellular matrix using force spectroscopy mapping

    International Nuclear Information System (INIS)

    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.

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

    Science.gov (United States)

    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.

  2. Neural networks improve brain cancer detection with Raman spectroscopy in the presence of light artifacts

    Science.gov (United States)

    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.

  3. Next generation hazard detection via ultrafast coherent anti-Stokes Raman spectroscopy

    Science.gov (United States)

    Brady, John J.; Pellegrino, Paul M.

    2013-05-01

    Multiplex coherent anti-Stokes Raman spectroscopy (MCARS) is used to detect an explosive precursor material and two chemical warfare simulants. The spectral bandwidth of the femtosecond laser pulse used in these studies is sufficient to coherently and simultaneously drive all the vibrational modes in the molecule of interest. The research performed here demonstrates that MCARS has the capability to detect an explosive precursor (e.g., acetone) and hazardous materials, such as dimethyl methylphosphonate and 2-chloroethyl methyl sulfide (a sarin and a mustard gas chemical warfare simulant, respectively), with high specificity. Evidence shows that MCARS is capable of overcoming common the sensitivity limitations of spontaneous Raman scattering, thus allowing for the detection of the target material in milliseconds with standard USB spectrometers as opposed to seconds with intensified spectrometers. The exponential increase in the number of scattered photons suggests that the MCARS technique may be capable of overcoming range detection challenges common to spontaneous Raman scattering.

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

    Science.gov (United States)

    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

  5. Detecting Temporal and Spatial Effects of Epithelial Cancers with Raman Spectroscopy

    Directory of Open Access Journals (Sweden)

    Matthew D. Keller

    2008-01-01

    Full Text Available Epithelial cancers, including those of the skin and cervix, are the most common type of cancers in humans. Many recent studies have attempted to use Raman spectroscopy to diagnose these cancers. In this paper, Raman spectral markers related to the temporal and spatial effects of cervical and skin cancers are examined through four separate but related studies. Results from a clinical cervix study show that previous disease has a significant effect on the Raman signatures of the cervix, which allow for near 100% classification for discriminating previous disease versus a true normal. A Raman microspectroscopy study showed that Raman can detect changes due to adjacent regions of dysplasia or HPV that cannot be detected histologically, while a clinical skin study showed that Raman spectra may be detecting malignancy associated changes in tissues surrounding nonmelanoma skin cancers. Finally, results of an organotypic raft culture study provided support for both the skin and the in vitro cervix results. These studies add to the growing body of evidence that optical spectroscopy, in this case Raman spectral markers, can be used to detect subtle temporal and spatial effects in tissue near cancerous sites that go otherwise undetected by conventional histology.

  6. Aspects of the Application of Cavity Enhanced Spectroscopy to Nitrogen Oxides Detection

    Directory of Open Access Journals (Sweden)

    Zbigniew Bielecki

    2013-06-01

    Full Text Available 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.

  7. Potential and limits of Raman spectroscopy for carotenoid detection in microorganisms: implications for astrobiology.

    Science.gov (United States)

    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. PMID:25368348

  8. An experimental study of sodium aerosol detection sensitivity by laser induced breakdown spectroscopy

    International Nuclear Information System (INIS)

    A Laser-induced breakdown spectroscopy Leak Detection technique (abbreviated LLD) of sodium is accomplished by plasmafying the sodium aerosol, and then selectively detecting the sodium specific optical spectrum. This method is potentially more reliable as a means of detecting of sodium small leakage. This report, describes test results of detection characteristics using sodium aerosol, carried out to verify the principle of LLD in addition to evaluating the response under various conditions. Our main objective is to examine the applicability of LLD for small sodium leakage. The main results are as follows; 1) We confirmed the principle of LLD, specifically detecting the sodium optical spectrum. 2) The relation between LLD fluorescence intensity and sodium aerosol concentration is nearly proportional within a relatively Na concentration ranges 10-11 ∼ 10-8 g/cm3. 3) The LLD signal appeared insensitive to the effect of sampling gas flow rate, oxygen concentration, and humidity in the examined range. In fact, a high S/N ratio is obtained for small sodium leakage, and the reliability of the leakage detection is high, because LLD showed sensitive to sodium concentration. From these results and others discussed in this report, LLD appears to be an applicable technique in small leakage detection both in terms of response and reliability in the leakage phase. (author)

  9. Hydrogen bonding to carbonyl oxygen of nitrogen-pyramidalized amide - detection of pyramidalization direction preference by vibrational circular dichroism spectroscopy.

    Science.gov (United States)

    Wang, Siyuan; Taniguchi, Tohru; Monde, Kenji; Kawahata, Masatoshi; Yamaguchi, Kentaro; Otani, Yuko; Ohwada, Tomohiko

    2016-03-01

    Nitrogen-pyramidalization of amide increases electron density on nitrogen and decreases that on carbonyl oxygen. We identified hydrogen-bonding to carbonyl of nitrogen-pyramidalized bicyclic β-proline derivatives by crystallography, and by NMR and vibrational circular dichroism (VCD) spectroscopy in solution. Such hydrogen-bonding can switch the preferred nitrogen-pyramidalization direction, as detected by VCD spectroscopy. PMID:26889607

  10. Towards optical fibre based Raman spectroscopy for the detection of surgical site infection

    Science.gov (United States)

    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.

  11. Detection sensitivity of laser-induced breakdown spectroscopy for Cr II in liquid samples

    International Nuclear Information System (INIS)

    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 106) 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

  12. Detection of biological analytes using nanomechanical infrared spectroscopy with a nanoporous microcantilever

    Science.gov (United States)

    Lee, Dongkyu; Kim, Seonghwan; Thundat, Thomas

    2013-05-01

    The highly sensitive nanoporous cantilever beam without immobilized receptors was combined with highly selective mid-infrared (IR) spectroscopy for molecular recognition of analytes using characteristic molecular vibrations. Unlike conventional IR spectroscopy, in addition, the detection sensitivity and resolution are drastically enhanced by combining high power tunable quantum cascade laser with a nanoporous cantilever having large surface area, low modulus, and nanowell structures. Further, analytes can be easily loaded on the porous microcantilever without receptor due to nanowells. In addition, orthogonal signals, variations in the mass and IR spectrum, provide more reliable and quantitative results including physical as well as chemical information of samples. We have used this technique to rapidly identify single and double stranded DNA.

  13. A pilot study on the use of optical spectroscopy to detection of liver fibrosis

    International Nuclear Information System (INIS)

    In this paper we present the preliminary study to evaluate the use of optical spectroscopy as a tool to detect liver fibrosis. In vivo fluorescence and diffuse reflectance spectra were acquired from male rats in which fibrosis were induced by means of carbon tetrachloride. Spectral measurements were obtained using a portable system with an excitation source of 365 nm and a fiber-optic probe. The livers from rats with fibrosis showed an increase in fluorescence and diffuse reflectance intensity when compared to normal liver tissue. A support vector machine discrimination algorithm based on fluorescence and diffuse reflectance intensities at 493 and 365 nm was developed. This algorithm yields a sensitivity and specificity of 88% and 94%, respectively, in differentiating fibrotic liver from normal liver tissue. the results obtained in this study suggest that optical spectroscopy could be worthy of further exploration in patients. (Author)

  14. Analytical optimization of nanocomposite surface-enhanced Raman spectroscopy/scattering detection in microfluidic separation devices.

    Science.gov (United States)

    Connatser, R Maggie; Cochran, Malcolm; Harrison, Robert J; Sepaniak, Michael J

    2008-04-01

    Adding vibrational spectroscopies to the arsenal of detection modes for microfluidics (mufluidics) offers benefits afforded by structurally descriptive identification of separated electrophoretic bands. We have previously applied surface-enhanced Raman spectroscopy (SERS) detection with nanocomposite metal-elastomer substrates as a detection mode in mufluidic channels. To create these mufluidic-SERS devices, silver-PDMS substrate regions are integrated into the architecture of a separation chip fabricated from PDMS or glass. Herein, we investigate analytical figures of merit for integrated mufluidic-SERS devices by implementing improvements in fluidic and SERS substrate fabrication as well as data collection strategies. Improvements are achieved by chemical modification of the PDMS channel, increasing effective detection efficiency by minimizing analyte partitioning into nonsensing walls rendering more analyte available to the metallized cover slide of channels and also by uniquely fabricating deep channels that have larger volume to SERS surface area ratios than conventional channels. A method is developed to exploit the inherent concentration profile of analyte material within an electrophoretic band in order to extend the linear dynamic range of detection on the SERS nanostructured surface. This is accomplished by spatially interrogating the Gaussian concentration profile of said bands. The subtleties of this technique give insight into the analytical utility of SERS detection in general. Finally, SERS substrates uniquely created via electron beam lithography with controllable morphologies are integrated into mufluidic-SERS devices to prove feasibility of such a coupling for future work. A separation of endocrine disrupting chemicals in a hybrid SERS nanocomposite-glass device is the capstone of this work. PMID:18386301

  15. Quantitative determination of two polymorphic forms of imatinib mesylate in a drug substance and tablet formulation by X-ray powder diffraction, differential scanning calorimetry and attenuated total reflectance Fourier transform infrared spectroscopy.

    Science.gov (United States)

    Bellur Atici, Esen; Karlığa, Bekir

    2015-10-10

    Imatinib has been identified as a tyrosine kinase inhibitor that selectively inhibits the Abl tyrosine kinases, including Bcr-Abl. The active substance used in drug product is the mesylate salt form of imatinib, a phenylaminopyrimidine derivative and chemically named as N-(3-(4-(pyridin-3-yl) pyrimidin-2-ylamino)-4-methylphenyl)-4-((4-methylpiperazin-1-yl) methyl)-benzamide methanesulfonic acid salt. It exhibits many polymorphic forms and most stable and commercialized polymorphs are known as α and β forms. Molecules in α and β polymorphic forms exhibit significant conformational differences due to their different intra- and intermolecular interactions, which stabilize their molecular conformations and affect their physicochemical properties such as bulk density, melting point, solubility, stability, and processability. The manufacturing process of a drug tablet included granulation, compression, coating, and drying may cause polymorphic conversions. Therefore, polymorphic content of the drug substance should be controlled during quality control and stability testing. Attenuated total reflectance Fourier transform infrared (ATR-FTIR) spectroscopy, differential scanning calorimetry (DSC), and powder X-ray diffraction (PXRD) methods were evaluated for determination of the polymorphic content of the drug substance and drug product; and PXRD was the most accurate technique and selected as preferred method and validated. Prior to development of a quantification method, pure α and β polymorphs were characterized and used throughout the method development and validation studies. Mixtures with different ratios of α and β forms were scanned using X-ray diffractometer with a scan rate of 0.250°/min over an angular range of 19.5-21.0° 2θ and the peak heights for characteristic peak of β form at 20.5 ± 0.2° 2θ diffraction angle were used to generate a calibration curve. The detection limit of β polymorph in α form imatinib mesylate tablets was found as 4% and

  16. Chapter 5: Modulation Excitation Spectroscopy with Phase-Sensitive Detection for Surface Analysis

    Energy Technology Data Exchange (ETDEWEB)

    Shulda, Sarah; Richards, Ryan M.

    2016-02-19

    Advancements in in situ spectroscopic techniques have led to significant progress being made in elucidating heterogeneous reaction mechanisms. The potential of these progressive methods is often limited only by the complexity of the system and noise in the data. Short-lived intermediates can be challenging, if not impossible, to identify with conventional spectra analysis means. Often equally difficult is separating signals that arise from active and inactive species. Modulation excitation spectroscopy combined with phase-sensitive detection analysis is a powerful tool for removing noise from the data while simultaneously revealing the underlying kinetics of the reaction. A stimulus is applied at a constant frequency to the reaction system, for example, a reactant cycled with an inert phase. Through mathematical manipulation of the data, any signal contributing to the overall spectra but not oscillating with the same frequency as the stimulus will be dampened or removed. With phase-sensitive detection, signals oscillating with the stimulus frequency but with various lag times are amplified providing valuable kinetic information. In this chapter, some examples are provided from the literature that have successfully used modulation excitation spectroscopy with phase-sensitive detection to uncover previously unobserved reaction intermediates and kinetics. Examples from a broad range of spectroscopic methods are included to provide perspective to the reader.

  17. Detection of tire tread particles using laser-induced breakdown spectroscopy

    Science.gov (United States)

    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.

  18. Rapid and highly sensitive detection of Enterovirus 71 by using nanogold-enhanced electrochemical impedance spectroscopy

    International Nuclear Information System (INIS)

    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. (paper)

  19. [The error analysis and experimental verification of laser radar spectrum detection and terahertz time domain spectroscopy].

    Science.gov (United States)

    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

  20. Rapid and highly sensitive detection of Enterovirus 71 by using nanogold-enhanced electrochemical impedance spectroscopy

    Science.gov (United States)

    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.

  1. Evaluation of various polyethylene as potential dosimeters by attenuated total reflectance-Fourier-transform infrared spectroscopy

    International Nuclear Information System (INIS)

    Various types of polyethylene (PE) have been evaluated in the past for use as a potential dosimeter, chiefly via the formation of an unsaturated transvinylene (TV) double-bond resulting from exposure to ionizing radiation. The utilization of attenuated total reflectance Fourier-transform infrared (ATR-FTIR) spectroscopy in characterizing TV formation in irradiated PE for a potential dosimeter has yet to be fully developed. In this initial investigation, various PE films/sheets were exposed to ionizing radiation in a high-energy 5 megaelectron volt (MeV) electron beam accelerator in the 10–500 kilogray (kGy) dose range, followed by ATR-FTIR analysis of TV peak formation at the 965 cm−1 wavenumber. There was an upward trend in TV formation for low-density polyethylene (LDPE) films and high-density polyethylene (HDPE) sheets as a function of absorbed dose in the 10–50 kGy dose range, however, the TV response could not be equated to a specific absorbed dose. LDPE film displayed a downward trend from 50 kGy to 250 kGy and then scattering up to 500 kGy; HDPE sheets demonstrated an upward trend in TV formation up to 500 kGy. For ultra-high molecular weight polyethylene (UHMWPE) sheets irradiated up to 150 kGy, TV response was equivalent to non-irradiated UHMWPE, and a minimal upward trend was observed for 200 kGy to 500 kGy. The scatter of the data for the irradiated PE films/sheets is such that the TV response could not be equated to a specific absorbed dose. A better correlation of the post-irradiation TV response to absorbed dose may be attained through a better understanding of variables. - Highlights: • Various types of PE films/sheets have been evaluated for use as a potential dosimeter. • Attenuated total reflectance FTIR spectroscopy was utilized to analyze transvinylene formation in irradiated PE films/sheets. • PE films/sheets were exposed to ionizing radiation using a 5 MeV high-energy electron beam accelerator. • Analysis of TV peak formation at

  2. Portable fluorescence spectroscopy platform for Huanglongbing (HLB) citrus disease in situ detection

    Science.gov (United States)

    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.

  3. Optical-fiber-based laser-induced breakdown spectroscopy for detection of early caries

    Science.gov (United States)

    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.

  4. Non-gated laser-induced breakdown spectroscopy in bulk water by position-selective detection

    Energy Technology Data Exchange (ETDEWEB)

    Tian, Ye; Xue, Boyang; Song, Jiaojian; Lu, Yuan; Zheng, Ronger, E-mail: rzheng@ouc.edu.cn [Optics and Optoelectronics Laboratory, Ocean University of China, Qingdao 266100 (China)

    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.

  5. Nondestructive detection of lead chrome green in tea by Raman spectroscopy

    OpenAIRE

    Xiao-Li Li; Chan-Jun Sun; Liu-Bin Luo; Yong He

    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...

  6. Defocussed Transmission Spectroscopy: A potential detection of sodium in the atmosphere of WASP-12b

    CERN Document Server

    Burton, J R; Rodriguez-Gil, P; Skillen, I; Littlefair, S P; Dhillon, V S; Pollacco, D

    2014-01-01

    We report on a pilot study of a novel observing technique, defocussed transmission spectroscopy, and its application to the study of exoplanet atmospheres using ground-based platforms. Similar to defocussed photometry, defocussed transmission spectroscopy has an added advantage over normal spectroscopy in that it reduces systematic errors due to flat-fielding, PSF variations, slit-jaw imperfections and other effects associated with ground-based observations. For one of the planetary systems studied, WASP-12b, we report a tentative detection of additional Na absorption of 0.12+/-0.03[+0.03]% during transit using a 2A wavelength mask. After consideration of a systematic that occurs mid-transit, it is likely that the true depth is actually closer to 0.15%. This is a similar level of absorption reported in the atmosphere of HD209458b (0.135+/-0.017%, Snellen et al. 2008). Finally, we outline methods that will improve the technique during future observations, based on our findings from this pilot study.

  7. High repetition rate laser-induced breakdown spectroscopy using acousto-optically gated detection

    Science.gov (United States)

    Pořízka, Pavel; Klessen, Benjamin; Kaiser, Jozef; Gornushkin, Igor; Panne, Ulrich; Riedel, Jens

    2014-07-01

    This contribution introduces a new type of setup for fast sample analysis using laser-induced breakdown spectroscopy (LIBS). The novel design combines a high repetition rate laser (up to 50 kHz) as excitation source and an acousto-optical modulator (AOM) as a fast switch for temporally gating the detection of the emitted light. The plasma radiation is led through the active medium of the AOM where it is diffracted on the transient ultrasonic Bragg grid. The diffracted radiation is detected by a compact Czerny-Turner spectrometer equipped with a CCD line detector. Utilizing the new combination of high repetition rate lasers and AOM gated detection, rapid measurements with total integration times of only 10 ms resulted in a limit of detection (LOD) of 0.13 wt.% for magnesium in aluminum alloys. This short integration time corresponds to 100 analyses/s. Temporal gating of LIP radiation results in improved LODs and consecutively higher sensitivity of the LIBS setup. Therefore, an AOM could be beneficially utilized to temporally detect plasmas induced by high repetition rate lasers. The AOM in combination with miniaturized Czerny-Turner spectrometers equipped with CCD line detectors and small footprint diode pumped solid state lasers results in temporally gateable compact LIBS setups.

  8. Detection of canine skin and subcutaneous tumors by visible and near-infrared diffuse reflectance spectroscopy

    Science.gov (United States)

    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.

  9. Rapid Detection of Pathogenic Bacteria from Fresh Produce by Filtration and Surface-Enhanced Raman Spectroscopy

    Science.gov (United States)

    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.

  10. Density Detection of Aligned Nanowire Arrays Using Terahertz Time-Domain Spectroscopy.

    Science.gov (United States)

    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. Optically Detected Magnetic Resonance and Thermal Activation Spectroscopy Study of Organic Semiconductors

    Energy Technology Data Exchange (ETDEWEB)

    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.

  12. Density Detection of Aligned Nanowire Arrays Using Terahertz Time-Domain Spectroscopy

    Science.gov (United States)

    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.

  13. Quartz Enhanced Photoacoustic Spectroscopy for Detection of Improvised Explosive Devices and Precursors

    Directory of Open Access Journals (Sweden)

    Roberto Viola

    2016-01-01

    Full Text Available A compact portable and standalone point sensor has been developed for the detection and identification of precursors of improvised explosive devices (IEDs and to be part of a network of sensors for the discovery of hidden bomb factories in homeland security applications. The sensor is based on quartz enhanced photoacoustic spectroscopy (QEPAS, and it implements a broadly tunable external cavity quantum cascade laser source (EC-QCL. It makes use of an optical cell purposely designed with a miniaturized internal volume, to achieve fast response and high sensitivity, and that can also be heated to improve sensitivity towards less volatile compounds. The sensor has been assembled and successfully tested in the lab with several compounds, including IED’s precursors such as acetone, nitromethane, nitric acid, and hydrogen peroxide. The identification capability and limits of detection near the ppm level have been estimated for all these compounds.

  14. Sensitive and ultra-fast species detection using pulsed cavity ringdown spectroscopy

    KAUST Repository

    Alquaity, Awad

    2015-01-01

    Pulsed cavity ringdown spectroscopy (CRDS) is used to develop a novel, ultra-fast, high-sensitivity diagnostic for measuring species concentrations in shock tube experiments. The diagnostic is demonstrated by monitoring trace concentrations of ethylene in the mid-IR region near 949.47 cm-1. Each ringdown measurement is completed in less than 1 μs and the time period between successive pulses is 10 μs. The high sensitivity diagnostic has a noise-equivalent detection limit of 1.08 x 10-5 cm-1 which enables detection of 15 ppm ethylene at fuel pyrolysis conditions (1845 K and 2 bar) and 294 ppb ethylene under ambient conditions (297 K and 1 bar). To our knowledge, this is the first successful application of the cavity ringdown method to the measurement of species time-histories in a shock tube. © 2015 OSA.

  15. Serum albumin analysis for type II diabetes detection using surface-enhanced Raman spectroscopy

    Science.gov (United States)

    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.

  16. Sensitive CH4 detection applying quantum cascade laser based optical feedback cavity-enhanced absorption spectroscopy.

    Science.gov (United States)

    Lang, N; Macherius, U; Wiese, M; Zimmermann, H; Röpcke, J; van Helden, J H

    2016-03-21

    We report on sensitive detection of atmospheric methane employing quantum cascade laser based optical feedback cavity-enhanced absorption spectroscopy (OF-CEAS). An instrument has been built utilizing a continuous-wave distributed feedback quantum cascade laser (cw-QCL) with a V-shaped cavity, a common arrangement that reduces feedback to the laser from non-resonant reflections. The spectrometer has a noise equivalent absorption coefficient of 3.6 × 10-9 cm-1 Hz-1/2 for a spectral scan of CH4 at 7.39 μm. From an Allan-Werle analysis a detection limit of 39 parts per trillion of CH4 at atmospheric pressure within 50 s acquisition time was found. PMID:27136874

  17. Recent progress in surface enhanced Raman spectroscopy for the detection of environmental pollutants

    International Nuclear Information System (INIS)

    Surface enhanced Raman spectroscopy (SERS) has emerged as one of the most promising analytical tools in recent years. Due to advantageous features such as sensitivity, specificity, ease of operation and rapidity, SERS is particularly well suited for environmental analysis. We summarize here some considerations with respect to the detection of pollutants by SERS and provide an overview on recent achievements in the determination of organic pollutants, heavy metal ions, and pathogens. Following an introduction into the topic and considering aspects of sensitivity, selectivity, reproducibility and portability, we are summarizing applications of SERS in the detection of pollutants, with sections on organic pollutants (pesticides, PAHs and PCBs, explosives), on heavy metal ions, and on pathogens. In addition, we discuss current challenges and give an outlook on applications of SERS in environmental analysis. (author)

  18. Development of electrochemical impedance spectroscopy based sensing system for DEHP detection

    KAUST Repository

    Zia, Asif I.

    2011-11-01

    This research work presents a real time and non invasive technique to detect Di(2-ethylhexyl) phthalate (DEHP)content in purified water and quantify its concentration by Electrochemical Impedance Spectroscopy(E.I.S.). Planar Inter-digital capacitive sensor is employed to evaluate conductivity, permeability and dielectric properties of material under test. This sensor, consisting of inter-digitated microelectrodes, is fabricated on silicon substrate using thin-film Microelectromechanical system (MEMS) based semiconductor device fabrication technology. Impedance spectrums are obtained with various concentrations of DEHP in purified water by using an electric circuit in order to extract sample conductance. Relationship of sample conductance with DEHP concentration is studied in this research work which enables us to show the ability of E.I.S. to detect DEHP concentration in water and hence can be applied in water treatment process for contamination quantification. © 2011 IEEE.

  19. Noninvasive detection of temozolomide in brain tumor xenografts by magnetic resonance spectroscopy

    DEFF Research Database (Denmark)

    Kato, Y.; Holm, David Alberg; Okollie, B.;

    2010-01-01

    Poor drug delivery to brain tumors caused by aberrant tumor vasculature and a partly intact blood-brain barrier (BBB) and blood-brain tumor barrier (BTB) can significantly impair the efficacy of chemotherapy. Determining drug delivery to brain tumors is a challenging problem, and the noninvasive...... detection of drug directly in the tumor can be critically important for accessing, predicting, and eventually improving effectiveness of therapy. In this study, in vivo magnetic resonance spectroscopy (MRS) was used to detect an anticancer agent, temozolomide (TMZ), in vivo in murine xenotransplants of U87...... of similar to 140 mg/kg (450 mg/m(2), well within the maximal clinical dose of 1000 mg/m(2) used in humans) during the course of in vivo MRS experiments. Heteronuclear multiple-quantum coherence (HMQC) MRS of brain tumors was performed before and after i.p. administration of [C-13]TMZ. Dynamic MRI...

  20. Detection and identification of explosive RDX by THz diffuse reflection spectroscopy.

    Science.gov (United States)

    Liu, Hai-Bo; Chen, Yunqing; Bastiaans, Glenn J; Zhang, X-C

    2006-01-01

    The reflection spectrum of the explosive RDX was acquired from a diffuse reflection measurement using a THz time-domain spectroscopy system in combination with a diffuse reflectance accessory. By applying the Kramers-Kronig transform to the reflection spectrum, the absorption spectrum (0.2-1.8 THz) was obtained. It agrees with the result from a transmission measurement and distinguishes RDX from other materials. The effect of the reference spectrum was examined by using both a Teflon pellet and a copper plate as references. The strong absorption of RDX at 0.82 THz allowed it to be identified by the diffuse reflection measurement even when the RDX sample was covered with certain optically opaque materials. Our investigation demonstrates that THz technique is capable of detecting and identifying hidden RDX-related explosives in a diffuse reflection mode, which is crucial for the standoff detection in the real world applications. PMID:19503355

  1. Evaluation of femtosecond laser-induced breakdown spectroscopy for explosive residue detection.

    Science.gov (United States)

    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. PMID:19158854

  2. Development of electron spin resonance spectroscopy to detect irradiated foods in routine testing

    International Nuclear Information System (INIS)

    Electrospin resonance (ESR) spectroscopy is a method for the detection of paramagnetic molecules and ions, and can supply information about their structures. ESR signals are specific of a given radical and are determined by the electronical and sterical properties of the radical species. ESR may be used to identify irradiated food if products contain solid and dry zones. If so, radicals will be formed by ionizing radiation in the dry areas which will not dereact or very slowly so by chemical reaction in their environment (mainly with water contained in the sample). Suitability of ESR measurement for doubtless detection is based on the ratio of the life of the formed radical and the general shelf life of the foods involved. The authors present the radicals and paramagnetic compounds observed in foods and report on the progress achieved at the Federal Health Agency (BGA) last year. (orig.UHE)

  3. Optically Detected Magnetic Resonance and Thermal Activation Spectroscopy Study of Organic Semiconductors

    International Nuclear Information System (INIS)

    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

  4. Tunable diode laser spectroscopy for gas signature detection of undeclared activities

    International Nuclear Information System (INIS)

    Full text: The capability of detecting trace Hydrogen Fluoride (HF) concentrations in an air sample can provide indicators that UF6 has leaked from containers or technological processes. This capability can also reveal undeclared activities in the manufacturing of 235-isotope enriched uranium. Uranium Hexafluoride (UF6), the feed gas for several types of uranium enrichment processes, interacts actively with atmospheric water when released, resulting in the formation of Hydrogen Fluoride (HF). This volatile gas component can be detected with high sensitivity by employing Tunable Diode Laser Spectroscopy (TDLS). Although other processes and facilities produce and leak molecular components that react with atmospheric water to HF, this detection capability has immediate use for the International Atomic Energy Agency (IAEA) in the framework of the Additional Protocol. The presence of HF can indicate that additional focus must be given to suspected facilities, while the absence of HF can increase inspector confidence that no covert activities take place. The TDLS technique measures trace amounts (parts per billion) of HF using tuned diode lasers projected through gas samples. The trace gas concentration is measured by scanning the laser frequency over chosen molecular absorption lines using near infra-red diode laser spectroscopy. This technique could be employed in two different devices: a portable instrument used by an IAEA inspector in the facility, or a more sensitive unit mounted on an automobile or helicopter to detect HF in the vicinity of suspect facilities. Both configurations of the TDLS device benefit from non-invasive measurements and real-time data processing to provide immediate measurement of trace molecules in a taken gas sample. (author)

  5. Detection of renal cell carcinoma using neutron time of flight spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Viana, Rodrigo S.; Yoriyaz, Helio, E-mail: rodrigossviana@gmail.com [Instituto de Pesquisas Energeticas e Nucleares (IPEN/CNEN-SP), Sao Paulo, SP (Brazil); Lakshmanan, Manu N.; Agasthya, Greeshma A.; Kapadia, Anuj J. [Duke University Medical Center, Durham, NC, (United States). Ravin Advanced Imaging Labs, Radiology

    2013-07-01

    The diagnosis of renal cell carcinoma (RCC) is challenging because the symptoms accompanying it are not unique to the disease, and can therefore be misdiagnosed as other diseases. Due to this characteristic, detection of renal cancer is incidental most of time, occurring via abdominal radiographic examinations unrelated to the disease. Presently, biopsy, which is invasive and an unpleasant procedure for the patient, is the most commonly used technique to diagnose RCC. In this study, we demonstrate the application of a novel noninvasive technique for detecting and imaging RCC in vivo. The elemental composition of biological tissues including kidneys has been investigated using a new technique called Neutron Stimulated Emission Computed Tomography (NSECT). This technique is based on detecting the energy signature emitted by the stable isotopes of elements in the body, which are stimulated to emit gamma radiation via inelastic neutron scattering. Methods for improving detection sensitivity and reducing dose, such as time-of-flight neutron spectroscopy have been explored. MCNP5 simulations were used to model the NSECT scanning of the human kidney where the energy and time of arrival of gamma photons were recorded in an ideal detector placed around the human torso. A 5 MeV collimated neutron beam was used to irradiate the kidney containing an RCC lesion. The resulting spectra were resolved in 100 picosecond and 1 keV time and energy bins, respectively. The preliminary results demonstrate the ability to localize the lesion through neutron time of flight spectroscopy and generate a tomographic image at a low dose to the patient. (author)

  6. EPR spectroscopy for the detection of foods treated with ionising radiation

    International Nuclear Information System (INIS)

    The advantage of electron paramagnetic resonance spectroscopy (EPR or ESR) as a tool for the control of irradiated food lies in its sensitivity and accuracy. Ionising radiation produces, in irradiated materials, paramagnetic species of different kinds, i.e. radicals, radical-ions and paramagnetic centres, which can be measured by EPR but most of them are not stable enough to be used for the detection of irradiation. It is because radiation-induced paramagnetic species are thermodynamically less stable than surrounding molecules and take part in fast radiolytic reactions leading to the formation of final diamagnetic products that they are not detectable by the EPR method. Most of organic radicals produced by radiation in the liquid phase ae unstable but if the unpaired electron is incorporated into the complex polymeric system as in peptides and polysaccharides and is structurally isolated from the water, its stability is markedly increased. Since 1954 it is known that ionising radiation produces paramagnetic entities in biological materials, cells and tissues and some are stable enough to be observed by EPR spectroscopy at room temperature. The present paper describes and discusses that part of results obtained by this group during the period of ADMIT activity (1989-94) which are original and may be useful to those who will be working in the near future on the development of uniform control systems for the detection of irradiated food. The intention was to focus attention on these facts and data which influence the certainty of the detection in both positive and negative manner. (author)

  7. Amorphous solid dispersions of piroxicam and Soluplus(®): Qualitative and quantitative analysis of piroxicam recrystallization during storage.

    Science.gov (United States)

    Lust, Andres; Strachan, Clare J; Veski, Peep; Aaltonen, Jaakko; Heinämäki, Jyrki; Yliruusi, Jouko; Kogermann, Karin

    2015-01-01

    The conversion of active pharmaceutical ingredient (API) from amorphous to crystalline form is the primary stability issue in formulating amorphous solid dispersions (SDs). The aim of the present study was to carry out qualitative and quantitative analysis of the physical solid-state stability of the SDs of poorly water-soluble piroxicam (PRX) and polyvinyl caprolactam-polyvinyl acetate-polyethylene-glycol graft copolymer (Soluplus(®)). The SDs were prepared by a solvent evaporation method and stored for six months at 0% RH/6 °C, 0% RH/25 °C, 40% RH/25 °C and 75% RH/25 °C. Fourier transform infrared spectroscopy equipped with attenuated total reflection accessory (ATR-FTIR) and Raman spectroscopy were used for characterizing the physical solid-state changes and drug-polymer interactions. The principal component analysis (PCA) and multivariate curve resolution alternating least squares (MCR-ALS) were used for the qualitative and quantitative analysis of Raman spectra collected during storage. When stored at 0% RH/6 °C and at 0% RH/25 °C, PRX in SDs remained in an amorphous form since no recrystallization was observed by ATR-FTIR and Raman spectroscopy. Raman spectroscopy coupled with PCA and MCR-ALS and ATR-FTIR spectroscopy enabled to detect the recrystallization of amorphous PRX in the samples stored at higher humidity. PMID:25843761

  8. Towards a Low-Cost Mobile Subcutaneous Vein Detection Solution Using Near-Infrared Spectroscopy

    Directory of Open Access Journals (Sweden)

    Simon Juric

    2014-01-01

    Full Text Available Excessive venipunctures are both time- and resource-consuming events, which cause anxiety, pain, and distress in patients, or can lead to severe harmful injuries. We propose a low-cost mobile health solution for subcutaneous vein detection using near-infrared spectroscopy, along with an assessment of the current state of the art in this field. The first objective of this study was to get a deeper overview of the research topic, through the initial team discussions and a detailed literature review (using both academic and grey literature. The second objective, that is, identifying the commercial systems employing near-infrared spectroscopy, was conducted using the PubMed database. The goal of the third objective was to identify and evaluate (using the IEEE Xplore database the research efforts in the field of low-cost near-infrared imaging in general, as a basis for the conceptual model of the upcoming prototype. Although the reviewed commercial devices have demonstrated usefulness and value for peripheral veins visualization, other evaluated clinical outcomes are less conclusive. Previous studies regarding low-cost near-infrared systems demonstrated the general feasibility of developing cost-effective vein detection systems; however, their limitations are restricting their applicability to clinical practice. Finally, based on the current findings, we outline the future research direction.

  9. Micro-Raman spectroscopy Detects Individual Neoplastic and Normal Hematopoietic Cells

    Energy Technology Data Exchange (ETDEWEB)

    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.

  10. Detection of Pistachio Aflatoxin Using Raman Spectroscopy and Artificial Neural Networks

    Directory of Open Access Journals (Sweden)

    R Mohammadigol

    2016-04-01

    Full Text Available Pistachio contamination to aflatoxin has been known as a serious problem for pistachio exportation. With regards to the increasing demand for Raman spectroscopy to detect and classify different materials and also the current experimental and technical problems for measuring toxin (such as being expensive and time-consuming, the main objective of this study was to detect aflatoxin contamination in pistachio by using Raman spectroscopy technique and artificial neural networks. Three sets of samples were prepared: non-contaminated (healthy and contaminated samples with 20 and 100 ppb of the total aflatoxins (B1+B2+G1+G2. After spectral acquisition, considering to the results, spectral data were normalized and then principal components (PCs were extracted to reduce the data dimensions. For classification of the samples spectra, an artificial neural network was used with a feed forward back propagation algorithm for 4 inputs and 3 neurons in hidden layer. Mean overall accuracy was achieved to be 98 percent; therefore, non-liner Raman spectra data modeling by ANN for samples classification was successful.

  11. Radiocarbon dioxide detection based on cavity ring-down spectroscopy and a quantum cascade laser.

    Science.gov (United States)

    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

  12. Ultra-Responsive Thermal Sensors for the Detection of Explosives Using Calorimetric Spectroscopy (CalSpec)

    International Nuclear Information System (INIS)

    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

  13. Nondestructive detection of lead chrome green in tea by Raman spectroscopy.

    Science.gov (United States)

    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

  14. Radiocarbon Dioxide detection based on Cavity Ring-Down Spectroscopy and a Quantum Cascade Laser

    CERN Document Server

    Genoud, Guillaume; Phillips, Hilary; Dean, Julian; Merimaa, Mikko

    2015-01-01

    Monitoring of radiocarbon ($^{14}$C) 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 standardised sample containing elevated levels of radiocarbon. Radiocarbon dioxide could be detected from samples with an isotopic ratio $^{14}$C/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 of radioactive gaseous emissions in 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.

  15. Detection of neuroinflammation through the retina by means of Raman spectroscopy and multivariate analysis

    Science.gov (United States)

    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.

  16. Detection of tire tread particles using laser-induced breakdown spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Prochazka, David, E-mail: prochazka.d@fme.vutbr.cz [Brno University of Technology, Institute of Physical Engineering, Technická 2, 616 00 Brno (Czech Republic); Brno University of Technology, Central European Institute of Technology, Technická 3058/10, CZ-616 00 Brno (Czech Republic); Bilík, Martin [Brno University of Technology, Institute of Forensic Engineering, Údolní 244/53, 602 00 Brno (Czech Republic); Prochazková, Petra [Masaryk University, Faculty of Science, Department of Chemistry, Kamenice 735/5, 625 00 Brno (Czech Republic); Klus, Jakub; Pořízka, Pavel; Novotný, Jan [Brno University of Technology, Central European Institute of Technology, Technická 3058/10, CZ-616 00 Brno (Czech Republic); Novotný, Karel [Masaryk University, Faculty of Science, Department of Chemistry, Kamenice 735/5, 625 00 Brno (Czech Republic); Brno University of Technology, Central European Institute of Technology, Technická 3058/10, CZ-616 00 Brno (Czech Republic); Ticová, Barbora [Masaryk University, Faculty of Science, Department of Chemistry, Kamenice 735/5, 625 00 Brno (Czech Republic); Bradáč, Albert; Semela, Marek [Brno University of Technology, Institute of Forensic Engineering, Údolní 244/53, 602 00 Brno (Czech Republic); and others

    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. - Highlights: • LIBS experimental measurement parameters for tire tread particles were optimize. • Calibration curve was prepared. • Limit of detection was determined.

  17. Detection of tire tread particles using laser-induced breakdown spectroscopy

    International Nuclear Information System (INIS)

    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. - Highlights: • LIBS experimental measurement parameters for tire tread particles were optimize. • Calibration curve was prepared. • Limit of detection was determined

  18. Ectomycorrhizal identification in environmental samples of tree roots by Fourier-transform infrared (FTIR spectroscopy

    Directory of Open Access Journals (Sweden)

    Rodica ePena

    2014-05-01

    Full Text Available Roots of forest trees are associated with various ectomycorrhizal (ECM fungal species that are involved in nutrient exchange between host plant and the soil compartment. The identification of ECM fungi in small environmental samples is difficult. The present study tested the feasibility of attenuated total reflection Fourier-transform infrared (ATR-FTIR spectroscopy followed by hierarchical cluster analysis (HCA to discriminate in situ collected ECM fungal species. Root tips colonized by distinct ECM fungal species, i.e., Amanita rubescens, Cenococcum geophilum, Lactarius subdulcis, Russula ochroleuca, and Xerocomus pruinatus were collected in mono-specific beech (Fagus sylvatica and mixed deciduous forests in different geographic areas to investigate the environmental variability of the ECM FTIR signatures.A clear HCA discrimination was obtained for ECM fungal species independent of individual provenance. Environmental variability neither limited the discrimination between fungal species nor provided sufficient resolution to discern species sub-clusters for different sites. However, the de-convoluted FTIR spectra contained site-related spectral information for fungi with wide nutrient ranges, but not for Lactarius subdulcis, a fungus residing only in the litter layer. Specific markers for distinct ECM were identified in spectral regions associated with carbohydrates (i.e. mannans, lipids, and secondary protein structures. The present results support that FTIR spectroscopy coupled with multivariate analysis is a reliable and fast method to identify ECM fungal species in minute environmental samples. Moreover, our data suggest that the FTIR spectral signatures contain information on physiological and functional traits of ECM fungi.

  19. OXYANION SORPTION TO HIGH SURFACE AREA IRON AND ALUMINUM OXIDES

    Science.gov (United States)

    Sorption of selected oxyanions (Mo, As, and P) to high surface area iron and aluminum oxides was investigated using in situ Raman and ATR-FTIR spectroscopy, batch sorption methods, electrophoretic mobility measurements, and surface complexation modeling. In situ ATR-FTIR and Raman spectra were coup...

  20. Chemical and explosive detection with long-wave infrared laser induced breakdown spectroscopy

    Science.gov (United States)

    Jin, Feng; Trivedi, Sudhir B.; Yang, Clayton S.; Brown, Ei E.; Kumi-Barimah, Eric; Hommerich, Uwe H.; Samuels, Alan C.

    2016-05-01

    Conventional laser induced breakdown spectroscopy (LIBS) mostly uses silicon-based detectors and measures the atomic emission in the UV-Vis-NIR (UVN) region of the spectrum. It can be used to detect the elements in the sample under test, such as the presence of lead in the solder for electronics during RoHS compliance verification. This wavelength region, however, does not provide sufficient information on the bonding between the elements, because the molecular vibration modes emit at longer wavelength region. Measuring long-wave infrared spectrum (LWIR) in a LIBS setup can instead reveal molecular composition of the sample, which is the information sought in applications including chemical and explosive detection and identification. This paper will present the work and results from the collaboration of several institutions to develop the methods of LWIR LIBS for chemical/explosive/pharmaceutical material detection/identification, such as DMMP and RDX, as fast as using a single excitation laser pulse. In our latest LIBS setup, both UVN and LWIR spectra can be collected at the same time, allowing more accurate detection and identification of materials.

  1. The detection of drugs of abuse in fingerprints using Raman spectroscopy II: cyanoacrylate-fumed fingerprints

    Science.gov (United States)

    Day, Joanna S.; Edwards, Howell G. M.; Dobrowski, Steven A.; Voice, Alison M.

    2004-07-01

    This paper describes the application of Raman spectroscopy to the detection of exogenous substances in cyanoacrylate-fumed fingerprints. The scenario considered was that of an individual handling a substance and subsequently depositing a contaminated fingerprint. These fingerprints were enhanced by cyanoacrylate fuming, a process in which a layer of white cyanoacrylate polymer is deposited on the fingerprint material, enabling visual detection. Five drugs of abuse (codeine phosphate, cocaine hydrochloride, amphetamine sulphate, barbital and nitrazepam) and five non-controlled substances of similar appearance, which may be used in the adulteration of drugs of abuse (caffeine, aspirin, paracetamol, starch and talc), were used. The substances studied could be clearly distinguished using their Raman spectra and were all successfully detected in cyanoacrylate-fumed fingerprints. Photobleaching was necessary to reduce the fluorescence background in the spectra of some substances. Raman spectra obtained from the substances in cyanoacrylate-fumed fingerprints were of a similar quality to spectra obtained from the substances under normal sampling conditions, however, interfering Raman bands arising from the cyanoacrylate polymer were present in the spectra. In most cases the only interfering band was the CN stretching mode of the polymer, and there were no cases where the interfering bands prevented identification of the substances. If necessary, the interfering bands could be successfully removed by spectral subtraction. The most difficult aspect of the detection of these substances in cyanoacrylate-fumed fingerprints was visually locating the substance in the fingerprint beneath the polymer layer in order to obtain a Raman spectrum.

  2. Irradiation dose detection of irradiated milk powder using visible and near-infrared spectroscopy and chemometrics.

    Science.gov (United States)

    Kong, W W; Zhang, C; Liu, F; Gong, A P; He, Y

    2013-08-01

    The objective of this study was to examine the possibility of applying visible and near-infrared spectroscopy to the quantitative detection of irradiation dose of irradiated milk powder. A total of 150 samples were used: 100 for the calibration set and 50 for the validation set. The samples were irradiated at 5 different dose levels in the dose range 0 to 6.0 kGy. Six different pretreatment methods were compared. The prediction results of full spectra given by linear and nonlinear calibration methods suggested that Savitzky-Golay smoothing and first derivative were suitable pretreatment methods in this study. Regression coefficient analysis was applied to select effective wavelengths (EW). Less than 10 EW were selected and they were useful for portable detection instrument or sensor development. Partial least squares, extreme learning machine, and least squares support vector machine were used. The best prediction performance was achieved by the EW-extreme learning machine model with first-derivative spectra, and correlation coefficients=0.97 and root mean square error of prediction=0.844. This study provided a new approach for the fast detection of irradiation dose of milk powder. The results could be helpful for quality detection and safety monitoring of milk powder. PMID:23769357

  3. Near-infrared spectroscopy for the detection and quantification of bacterial contaminations in pharmaceutical products.

    Science.gov (United States)

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

    2015-08-15

    Accurate detection and quantification of microbiological contaminations remains an issue mainly due the lack of rapid and precise analytical techniques. Standard methods are expensive and time-consuming being associated to high economic losses and public health threats. In the context of pharmaceutical industry, the development of fast analytical techniques able to overcome these limitations is crucial and spectroscopic techniques might constitute a reliable alternative. In this work we proved the ability of Fourier transform near infrared spectroscopy (FT-NIRS) to detect and quantify bacteria (Bacillus subtilis, Escherichia coli, Pseudomonas fluorescens, Salmonella enterica, Staphylococcus epidermidis) from 10 to 10(8) CFUs/mL in sterile saline solutions (NaCl 0.9%). Partial least squares discriminant analysis (PLSDA) models showed that FT-NIRS was able to discriminate between sterile and contaminated solutions for all bacteria as well as to identify the contaminant bacteria. Partial least squares (PLS) models allowed bacterial quantification with limits of detection ranging from 5.1 to 9 CFU/mL for E. coli and B. subtilis, respectively. This methodology was successfully validated in three pharmaceutical preparations (contact lens solution, cough syrup and topic anti-inflammatory solution) proving that this technique possess a high potential to be routinely used for the detection and quantification of bacterial contaminations. PMID:26151105

  4. Frequency Modulated Spectroscopy (FMS) - A Novel Method for Standoff Trace Gas Detection

    Science.gov (United States)

    Fessenden, J. E.; Clegg, S. M.; Nowak-Lovato, K.; Martinez, R.; Dobeck, L. M.; Spangler, L.

    2015-12-01

    Geologic storage of carbon rich gases captured from the emissions of fossil fuel combustion is a promising option to mitigate against greenhouse warming scenarios. Monitoring surface gas seepage is a strategy to create a successful geologic storage facility. At Los Alamos National Laboratory, new laser systems have been engineered which can measure concentration and isotope ratios of CO2, CH4, and H2S in real time and up to 1 km distances. These systems can work in closed and open path (LIght Detection And Ranging or LIDAR) settings where we use Frequency Modulated Spectroscopy (FMS) to measure the harmonics of the primary absorption peak for CO2, CH4, and H2S absorptions. This provides between 100-1000 times sensitivity to allow for small concentrations or low abundance isotopes to be observed at distance. We tested these systems at various locations around Los Alamos National Laboratory and at the ZERT Controlled Release site in Bozeman Montana. Results show pollution signatures, ecologically productive fluxes, and carbon storage signatures depending upon location monitored. We will present these results and share unique features of this novel system. Remote detection of concentration and isotope profiles of greenhouse and toxic gases can provide a new method for stand-off detection and mapping of gas in the environment. For geologic storage scenarios, this will allow for larger areas to be interrogated for subsurface CO2 leak detection and can accelerate the Monitoring Verification and Accounting (MVA) mission goals for the Carbon Sequestration and Storage (CCS) communities.

  5. Single-cell-based sensors and synchrotron FTIR spectroscopy: a hybrid system towards bacterial detection.

    Science.gov (United States)

    Veiseh, Mandana; Veiseh, Omid; Martin, Michael C; Bertozzi, Carolyn; Zhang, Miqin

    2007-09-30

    Microarrays of single macrophage cell-based sensors were developed and demonstrated for potential real-time bacterium detection by synchrotron FTIR microscopy. The cells were patterned on gold electrodes of silicon oxide substrates by a surface engineering technique, in which the gold electrodes were immobilized with fibronectin to mediate cell adhesion and the silicon oxide background was passivated with polyethylene glycol (PEG) to resist protein adsorption and cell adhesion. Cell morphology and IR spectra of single, double, and triple cells on gold electrodes exposed to lipopolysaccharide (LPS) of different concentrations were compared to reveal the detection capability of this cell-based sensing platform. The single-cell-based system was found to generate the most significant and consistent IR spectrum shifts upon exposure to LPS, thus providing the highest detection sensitivity. Changes in cell morphology and IR shifts upon cell exposure to LPS were found to be dependent on the LPS concentration and exposure time, which established a method for the identification of LPS concentration and infected cell population. Possibility of using this single-cell system with conventional IR spectroscopy as well as its limitation was investigated by comparing IR spectra of single-cell arrays with gold electrode surface areas of 25, 100, and 400 microm2 using both synchrotron and conventional FTIR spectromicroscopes. This cell-based platform may potentially provide real-time, label-free, and rapid bacterial detection, and allow for high-throughput statistical analyses, and portability. PMID:17560777

  6. Concentration-dependent effects of carbon nanoparticles in gram-negative bacteria determined by infrared spectroscopy with multivariate analysis

    International Nuclear Information System (INIS)

    With increasing production of carbon nanoparticles (CNPs), environmental release of these entities becomes an ever-greater inevitability. However, many questions remain regarding their impact on soil microorganisms. This study examined the effects of long or short multiwalled carbon nanotubes (MWCNTs), C60 fullerene and fullerene soot in Gram-negative bacteria. Attenuated total reflection Fourier-transform infrared (ATR-FTIR) spectroscopy was applied to derive signature spectral fingerprints of effects. A concentration-dependent response in spectral alterations was observed for each nanoparticle type. Long or short MWCNTs and fullerene soot gave rise to similar alterations to lipids, Amide II and DNA. The extent of alteration varies with nanoparticle size, with smaller short MWCNTs resulting in greater toxicity than long MWCNTs. Fullerene soot was the least toxic. C60 results in the most distinct and largest overall alterations, notably in extensive protein alteration. This work demonstrates a novel approach for assaying and discriminating the effects of CNPs in target systems. - Highlights: ► Unique biochemical changes occur in bacteria following exposure to particular carbon nanoparticle. ► Biochemical alterations become more pronounced with increasing concentration. ► Smaller nanoparticles result in greater biochemical changes ascertained by IR spectroscopy with multivariate analysis. - Carbon nanoparticle-induced distinctive biochemical alterations in Gram-negative bacteria can be mechanistically fingerprinted using IR spectroscopy with multivariate analysis.

  7. The electrochemical impedance spectroscopy of silver doped hydroxyapatite coating in simulated body fluid used as corrosive agent

    Directory of Open Access Journals (Sweden)

    Mišković-Stanković Vesna

    2012-01-01

    Full Text Available Titanium is a key biomedical material due its good biocompatibility, mechanical properties and corrosion stability, but infections of the implantation site still pose serious threat. One approach to prevent infection is to improve antimicrobial ability of the coating material. Silver doped hydroxyapatite (Ag/HAP nanoparticles were synthesized by new modified precipitation method. The synthesized powder was used for preparation of Ag/HAP coating on titanium by electrophoretic deposition. The coating was characterized in terms of phase composition and structure by Attenuated total reflection Fourier transform infrared spectroscopy (ATR-FTIR and X-ray diffraction (XRD; surface morphology and chemical composition was assessed using scanning electron microscopy (SEM and energy dispersive spectroscopy (EDS. Research focused on evaluation of the corrosion behaviour of Ag/HAP coating in simulated body fluid (SBF at 37 ºC during prolonged immersion time by electrochemical impedance spectroscopy (EIS. Silver doped HAP coating provided good corrosion protection in SBF solution. [Acknowledgements. This research was financed by the Ministry of Education, Science and Technological Development of the Republic of Serbia, contracts No. III 45019 and by National Sciences and Engineering Research Council of Canada (NSERC. Dr Ana Jankovic was financed by the FP7 Nanotech FTM Grant Agreement 245916

  8. Insights into hydrophobic molecule release from polyelectrolyte multilayer films using in situ and ex situ techniques.

    Science.gov (United States)

    Shin, Yongjin; Cheung, Weng Hou; Ho, Tracey T M; Bremmell, Kristen E; Beattie, David A

    2014-10-28

    We report on the loading and release of curcumin (a hydrophobic polyphenol with anti-inflammatory and anti-bacterial properties) from polyelectrolyte multilayers composed of poly(diallyldimethylammonium chloride) (PDADMAC) and poly(sodium 4-styrenesulfonate) (PSS). We have used the in situ techniques of attenuated total reflectance (ATR) FTIR spectroscopy and quartz crystal microbalance with dissipation monitoring (QCM-D) to study the formation of the PEM and the incorporation of curcumin, providing direct evidence of the incorporation, in terms of molecular vibrations and gravimetric detection. The release of curcumin was followed using ex situ measurements of UV-visible spectroscopy of PEM films on quartz plates, in addition to in situ ATR FTIR measurements. Release was studied as a function of salt concentration of the release solution (0.001 M NaCl; 1 M NaCl). UV-visible spectroscopy indicated that salt concentration of the release solution had a major impact on release rates, with higher salt giving faster/more extensive release. However, prolonged timescale immersion and monitoring with UV-visible spectroscopy indicated that sample dehydration/rehydration cycling (required to measure UV absorbance) was responsible for the release of curcumin, rather than immersion time. In situ measurements of release kinetics with ATR FTIR confirmed that release does not occur spontaneously while the multilayer remains hydrated. PMID:25226281

  9. Rapid detection of authenticity and adulteration of walnut oil by FTIR and fluorescence spectroscopy: a comparative study.

    Science.gov (United States)

    Li, Bingning; Wang, Haixia; Zhao, Qiaojiao; Ouyang, Jie; Wu, Yanwen

    2015-08-15

    Fourier transform infrared (FTIR) and fluorescence spectroscopy combined with soft independent modeling of class analogies (SIMCA) and partial least square (PLS) were used to detect the authenticity of walnut oil and adulteration amount of soybean oil in walnut oil. A SIMCA model of FTIR spectra could differentiate walnut oil and other oils into separate categories; the classification limit of soybean oil in walnut oil was 10%. Fluorescence spectroscopy could differentiate oil composition by the peak position and intensity of emission spectrum without multivariate analysis. The classification limit of soybean oil adulterated in walnut oil by fluorescence spectroscopy was below 5%. The deviation of the prediction model for fluorescence spectra was lower than that for FTIR spectra. Fluorescence spectroscopy was more applicable than FTIR in the adulteration detection of walnut oil, both from the determination limit and prediction deviation. PMID:25794716

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

    Science.gov (United States)

    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

  11. [Fast detection of sugar content in fruit vinegar using NIR spectroscopy].

    Science.gov (United States)

    Wang, Li; Li, Zeng-fang; He, Yong; Liu, Fei

    2008-08-01

    For the fast and exact detection of sugar content of fruit vinegar, near infrared (NIR) spectroscopy technique combined with least squares support vector machines (LS-SVM) algorithm was used to build the prediction model of sugar content in the present research. NIR spectroscopy is a nondestructive, fast and accurate technique for the measurement of chemical compo nents based on overtone and combination bands of specific functional groups. The pivotal step for spectroscopy technique is how to extract quantitative data from mass spectral data and eliminate spectral interferences. Principal component analysis (PCA) is a method which has been widely used in the spectroscopic analysis, and LS-SVM is a new data mining algorithm developed from the machine learning community. In the present study, they were used for the spectroscopic analysis. First, the near infrared transmittance spectra of three hundred samples were obtained, then PCA was applied for reducing the dimensionality of the original spectra, and six principal components (PCs) were selected according the accumulative reliabilities (AR). The six PCs could be used to replace the complex spectral data. The three hundred samples were randomly separated into calibration set and validation set. Least squares support vector machines (LS-SVM) algorithm was used to build prediction model of sugar content based on the calibration set, then this model was employed for the prediction of the validation set. Correlation coefficient (r) of prediction and root mean square error prediction (RMSEP) were used as the evaluation standards, and the results indicated that the r and RMSEP for the prediction of sugar content were 0.9939 and 0.363, respectively. Hence, PCA and LS-SVM model with high prediction precision could be applied to the determination of sugar content in fruit vinegar. PMID:18975809

  12. Detection of Methomyl, a Carbamate Insecticide, in Food Matrices Using Terahertz Time-Domain Spectroscopy

    Science.gov (United States)

    Baek, Seung Hyun; Kang, Ju Hee; Hwang, Yeun Hee; Ok, Kang Min; Kwak, Kyungwon; Chun, Hyang Sook

    2016-05-01

    The aim of this study was to investigate the feasibility of detecting methomyl, a carbamate insecticide, in food matrices (wheat and rice flours) using terahertz time-domain spectroscopy (THz-TDS). In the frequency range 0.1-3 THz, the characteristic THz absorption peaks of methomyl at room temperature were detected at 1 (33.4 cm-1), 1.64 (54.7 cm-1), and 1.89 (63.0 cm-1) THz. For detailed spectral analysis, the vibrational frequency and intensity of methomyl were calculated using solid-state density functional theory to mimic molecular interactions in the solid state. Qualitatively, the simulated spectrum was in good agreement with the experimental spectrum. Analysis of the individual absorption modes revealed that all of the features in the THz spectrum of methomyl were mainly generated from intermolecular vibrations. The peak appearing at 1 THz (33.4 cm-1) was then selected and tested for its suitability as a fingerprint for detecting methomyl in food matrices. Its absorbance was dose-dependently distinguishable from that of wheat and rice flours. The calibration curve of methomyl had a regression coefficient of >0.974 and a detection limit of <3.74 %. Accuracy and precision expressed as recovery and relative standard deviation in interday repeatability were in the ranges 78.0-96.5 and 2.83-4.98 %, respectively. Our results suggest that THz-TDS can be used for the rapid detection of methomyl in foods, but its sensitivity needs to be improved.

  13. Nanostructured platform for the detection of Neisseria gonorrhoeae using electrochemical impedance spectroscopy and differential pulse voltammetry

    International Nuclear Information System (INIS)

    We report on a nanocomposite based genosensor for the detection of Neisseria gonorrhoeae, a bacterium causing the sexually transmitted disease gonorrhoea. Amino-labeled probe DNA was covalently immobilized on electrochemically prepared polyaniline and iron oxide (PANI-Fe3O4) nanocomposite film on an indium tin oxide (ITO) electrode. Scanning electron microscopy, transmission electron microscopy, electrochemical impedance spectroscopy (EIS) and differential pulse voltammetry (DPV) techniques have been employed to characterize surface of the modified electrode. The genosensor has detection limits of 1 x 10-15 M and 1 x 10-17 M, respectively, using the EIS and DPV techniques. This biosensor can discriminate a complementary sequence from a single-base mismatch and from non-complementary DNA, and has been utilized for detection of DNA extracted from N. gonorrhoeae culture, and from patient samples with N. gonorrhoeae. It is found to exhibit good specificity for N. gonorrhoeae species and shows no response towards non-gonorrhoeae type of Neisseria species (NgNs) and other gram-negative bacterias (GNBs). The affinity constant for hybridization calculated using the Langmuir adsorption isotherm model is found to be 3. 39 x 108 M-1. (author)

  14. Bifunctional nanoparticles for surface-enhanced Raman spectroscopy-based leukemia biomarker detection

    Science.gov (United States)

    Mehn, Dora; Morasso, Carlo; Vanna, Renzo; Schiumarini, Domitilla; Bedoni, Marzia; Ciceri, Fabio; Gramatica, Furio

    2014-03-01

    The Wilms tumor gene (WT1) is a biomarker overexpressed in more than 90% of acute myeloid leukemia patients. Fast and sensitive detection of the WT1 in blood samples would allow monitoring of the minimal residual disease during clinical remission and would permit early detection of a potential relapse in acute myeloid leukemia. In this work, Surface Enhanced Raman Spectroscopy (SERS) based detection of the WT1 sequence using bifunctional, magnetic core - gold shell nanoparticles is presented. The classical co-precipitation method was applied to generate magnetic nanoparticles which were coated with a gold shell after modification with aminopropyltriethoxy silane and subsequent deposition of gold nanoparticle seeds. Simple hydroquinone based reduction procedure was applied for the shell growing in water based reaction mixture at room temperature. Thiolated ssDNA probes of the WT1 sequence were immobilized as capture oligonucleotides on the gold surface. Malachite green was applied both for testing the amplification performance of the core-shell colloidal SERS substrate and also as label dye of the target DNA sequence. The SERS enhancer efficacy of the core-shell nanomaterial was compared with the efficacy of classical spherical gold particles produced using the conventional citrate reduction method. The core-shell particles were found not only to provide an opportunity for facile separation in a heterogeneous reaction system but also to be superior regarding robustness as SERS enhancers.

  15. Quantitative analysis and detection of adulteration in pork using near-infrared spectroscopy

    Science.gov (United States)

    Fan, Yuxia; Cheng, Fang; Xie, Lijuan

    2010-04-01

    Authenticity is an important food quality criterion. Rapid methods for confirming authenticity or detecting adulteration are increasingly demanded by food processors and consumers. Near infrared (NIR) spectroscopy has been used to detect economic adulteration in pork . Pork samples were adulterated with liver and chicken in 10% increments. Prediction and quantitative analysis were done using raw data and pretreatment spectra. The optimal prediction result was achieved by partial least aquares(PLS) regression with standard normal variate(SNV) pretreatment for pork adulterated with liver samples, and the correlation coefficient(R value), the root mean square error of calibration(RMSEC) and the root mean square error of prediction (RMSEP) were 0.97706, 0.0673 and 0.0732, respectively. The best model for pork meat adulterated with chicken samples was obtained by PLS with the raw spectra, and the correlation coefficient(R value), RMSEP and RMSEC were 0.98614, 0.0525, and 0.122, respectively. The result shows that NIR technology can be successfully used to detect adulteration in pork meat adulterated with liver and chicken.

  16. Noninvasive detection of concealed explosives: depth profiling through opaque plastics by time-resolved Raman spectroscopy.

    Science.gov (United States)

    Petterson, Ingeborg E Iping; López-López, María; García-Ruiz, Carmen; Gooijer, Cees; Buijs, Joost B; Ariese, Freek

    2011-11-15

    The detection of explosives concealed behind opaque, diffusely scattering materials is a challenge that requires noninvasive analytical techniques for identification without having to manipulate the package. In this context, this study focuses on the application of time-resolved Raman spectroscopy (TRRS) with a picosecond pulsed laser and an intensified charge-coupled device (ICCD) detector for the noninvasive identification of explosive materials through several millimeters of opaque polymers or plastic packaging materials. By means of a short (250 ps) gate which can be delayed several hundred picoseconds after the laser pulse, the ICCD detector allows for the temporal discrimination between photons from the surface of a sample and those from deeper layers. TRRS was applied for the detection of the two main isomers of dinitrotoluene, 2,4-dinitrotoluene, and 2,6-dinitrotoluene as well as for various other components of explosive mixtures, including akardite II, diphenylamine, and ethyl centralite. Spectra were obtained through different diffuse scattering white polymer materials: polytetrafluoroethylene (PTFE), polyoxymethylene (POM), and polyethylene (PE). Common packaging materials of various thicknesses were also selected, including polystyrene (PS) and polyvinyl chloride (PVC). With the demonstration of the ability to detect concealed, explosives-related compounds through an opaque first layer, this study may have important applications in the security and forensic fields. PMID:21967622

  17. Evaluation of nonlinear impact resonance spectroscopy method for detecting delayed ettringite formation

    Science.gov (United States)

    Rashidi, M. M. N.; Paul, A.; Kim, J.-Y.; Jacobs, L. J.; Kurtis, K. E.

    2015-03-01

    The use of the Nonlinear Impact Resonance Acoustic Spectroscopy (NIRAS) method to monitor the evolution of damage due to delayed ettringite formation (DEF) is examined. In practice, the temperature of concrete during casting of precast concrete members or massive concrete structures may reach higher than 70°C which can provide suitable conditions for damage to occur due to DEF, particularly in concrete which is subsequently exposed to wet environments. While expansion - often in excess of 1% - is characteristic of DEF, the evolution of damage begins with microcracking. Unfortunately, there is no standard to test the susceptibility of materials or material combinations to DEF. On the other hand, NIRAS shows great sensitivity to the detection of microcracks and has been successfully applied to concrete to detect thermal and alkali silica reaction in concrete. In this preliminary research, the NIRAS method is used to discriminate among mortar samples which are relatively undamaged and those in the early stages of DEF. The results show that NIRAS could be a reliable and robust method in the detection of microcracks due to DEF.

  18. Detection of methotrexate in a flow system using electrochemical impedance spectroscopy and multivariate data analysis.

    Science.gov (United States)

    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. PMID:26965322

  19. Detection of liver cancer tissue using silver nanoparticles-based surface-enhanced Raman spectroscopy

    Science.gov (United States)

    Lin, Juqiang; Liao, Fadian; Ruan, Qiuyong; Zeng, Yongyi; Li, Ling; Huang, Zufang; Lu, Peng; Chen, Rong

    2014-11-01

    Early detection of hepatocellular carcinoma is difficult due to the absence of recognizable physical symptoms. In this study, Raman spectra of liver normal tissues and hepatocellular carcinoma tissues were measured by using silver nanoparticles based surface enhanced Raman spectroscopy (SERS), respectively. The mean Raman spectra of two groups are roughly similar. But the peaks intensity of hepatocellular carcinoma tissues at 722 cm-1 and 1049 cm-1 are obviously higher than those of normal tissues. Some peaks of hepatocellular carcinoma tissues have shifted by different degree. Besides, Raman peaks at 1004cm-1 had disappeared in normal tissue. The result suggested that SERS spectra can feature liver normal tissue and hepatocellular carcinoma tissue. Principal component analysis (PCA) coupled with linear discriminant analysis (LDA) was performed on the measured spectra. There were three most diagnostically significant PCs (PC3, PC9, and PC15, p<0.05) for discriminating these two groups. The diagnostic sensitivity and specificity both were 84.6%. The whole analysis of each sample needs less time-consumed and cost than other traditional methods in detecting and diagnosing HCC. The preliminary result suggests that SERS spectra can be a potential medical technology to detect and diagnose HCC.

  20. The fate of free radicals in a cellulose based hydrogel: detection by electron paramagnetic resonance spectroscopy.

    Science.gov (United States)

    Basumallick, Lipika; Ji, J Andrea; Naber, Nariman; Wang, Y John

    2009-07-01

    Cellulose derivatives are commonly used as gelling agents in topical and ophthalmic drug formulations. During the course of manufacturing, cellulose derivatives are believed to generate free radicals. These free radicals may degrade the gelling agent, leading to lower viscosity. Free radicals also may react with the active ingredient in the product. The formation of radicals in a 3% hydrogel of hypromellose (hydroxypropyl methylcellulose) was monitored by electron paramagnetic resonance (EPR) spectroscopy and spin trapping techniques. Radicals were trapped with 5,5-dimethyl-1-pyrroline-N-oxide (DMPO) and quantitated by comparing the EPR intensity with 4-hydroxy-2,2,6,6-tetramethylpiperidinyloxy (TEMPOL), a stable free radical. Typically, the hydrogels showed an initial increase in the radical concentration within 2 days after autoclaving, followed by a drop in radical concentration in 7 days. EDTA prevented the formation of free radicals in the hypromellose (HPMC) hydrogel, suggesting the involvement of metal ions in the generation of free radicals. The oxidizing potential of the hydrogel was estimated by measuring the rate at which methionine (a model for the protein active pharmaceutical ingredient) was degraded, and was consistent with the amount of radicals present in the gel. This study is the first report investigating the application of EPR spectroscopy in detecting and estimating free radical concentration in cellulose based hydrogels. PMID:19090570

  1. Detection of Anomalies in Citrus Leaves Using Laser-Induced Breakdown Spectroscopy (LIBS).

    Science.gov (United States)

    Sankaran, Sindhuja; Ehsani, Reza; Morgan, Kelly T

    2015-08-01

    Nutrient assessment and management are important to maintain productivity in citrus orchards. In this study, laser-induced breakdown spectroscopy (LIBS) was applied for rapid and real-time detection of citrus anomalies. Laser-induced breakdown spectroscopy spectra were collected from citrus leaves with anomalies such as diseases (Huanglongbing, citrus canker) and nutrient deficiencies (iron, manganese, magnesium, zinc), and compared with those of healthy leaves. Baseline correction, wavelet multivariate denoising, and normalization techniques were applied to the LIBS spectra before analysis. After spectral pre-processing, features were extracted using principal component analysis and classified using two models, quadratic discriminant analysis and support vector machine (SVM). The SVM resulted in a high average classification accuracy of 97.5%, with high average canker classification accuracy (96.5%). LIBS peak analysis indicated that high intensities at 229.7, 247.9, 280.3, 393.5, 397.0, and 769.8 nm were observed of 11 peaks found in all the samples. Future studies using controlled experiments with variable nutrient applications are required for quantification of foliar nutrients by using LIBS-based sensing. PMID:26163130

  2. Invited Article: Single-shot THz detection techniques optimized for multidimensional THz spectroscopy

    International Nuclear Information System (INIS)

    Multidimensional spectroscopy at visible and infrared frequencies has opened a window into the transfer of energy and quantum coherences at ultrafast time scales. For these measurements to be performed in a manageable amount of time, one spectral axis is typically recorded in a single laser shot. An analogous rapid-scanning capability for THz measurements will unlock the multidimensional toolkit in this frequency range. Here, we first review the merits of existing single-shot THz schemes and discuss their potential in multidimensional THz spectroscopy. We then introduce improved experimental designs and noise suppression techniques for the two most promising methods: frequency-to-time encoding with linear spectral interferometry and angle-to-time encoding with dual echelons. Both methods, each using electro-optic detection in the linear regime, were able to reproduce the THz temporal waveform acquired with a traditional scanning delay line. Although spectral interferometry had mediocre performance in terms of signal-to-noise, the dual echelon method was easily implemented and achieved the same level of signal-to-noise as the scanning delay line in only 4.5% of the laser pulses otherwise required (or 22 times faster). This reduction in acquisition time will compress day-long scans to hours and hence provides a practical technique for multidimensional THz measurements

  3. Atomic jet with ionization detection for laser spectroscopy of Rydberg atoms under collisions and fields

    Science.gov (United States)

    Philip, G.

    2008-03-01

    An efficient atomic jet setup offering many unprecedented advantages over a conventional heat pipe setup used in multi-photon spectroscopy, mainly of alkaline-earth metals, has been constructed by a scheme in which the sample material is encapsulated in a disposable cartridge oven located inside a thermally stabilised heat-pipe and is made to effuse in to a row of atomic beams merging to form a jet target. This novel scheme combines the advantages of both high density atomic beam with convenient geometry for orthogonal excitation and high sensitive ionisation detection capabilities of thermionic diodes, besides eliminating several problems inherent in the usual heat-pipe operation. Out of various designs, typical results are presented for a linear heat-pipe with vertical atomic jet used in two-photon spectroscopy of highly excited states of Sr I. Controlled excitations of both Rydberg and non-Rydberg states, which cannot otherwise be accessed from the ground state due to parity and spectroscopic selection rules, have been achieved by employing a weak electric field complimented by collisions. The atomic jet setup is also found very useful for the study of collisional broadening and shift of excited states and time evolution of Rydberg atoms.

  4. Non-destructive detection of pesticide residues in cucumber using visible/near-infrared spectroscopy.

    Science.gov (United States)

    Jamshidi, Bahareh; Mohajerani, Ezeddin; Jamshidi, Jamshid; Minaei, Saeid; Sharifi, Ahmad

    2015-01-01

    The feasibility of using visible/near-infrared (Vis/NIR) spectroscopy was assessed for non-destructive detection of diazinon residues in intact cucumbers. Vis/NIR spectra of diazinon solution and cucumber samples without and with different concentrations of diazinon residue were analysed at the range of 450-1000 nm. Partial least squares-discriminant analysis (PLS-DA) models were developed based on different spectral pre-processing techniques to classify cucumbers with contents of diazinon below and above the MRL as safe and unsafe samples, respectively. The best model was obtained using a first-derivative method with the lowest standard error of cross-validation (SECV = 0.366). Moreover, total percentages of correctly classified samples in calibration and prediction sets were 97.5% and 92.31%, respectively. It was concluded that Vis/NIR spectroscopy could be an appropriate, fast and non-destructive technology for safety control of intact cucumbers by the absence/presence of diazinon residues. PMID:25789964

  5. A rapid and noninvasive method to detect dried saliva stains from human skin using fluorescent spectroscopy

    Directory of Open Access Journals (Sweden)

    Kanwar Deep Singh Nanda

    2011-01-01

    Full Text Available Objective: Saliva is one of the vital fluids secreted in human beings. Significant amount of saliva is deposited on the skin during biting, sucking or licking, and can act as an important source in forensic evidence. An enzyme, α amylase, gives a characteristic emission spectrum at 345-355 nm when excited at 282 nm and this can be identified by using fluorescent spectroscopy and can help in forensic identification. This study describes a rapid method to detect dried saliva on the human skin by fluorescent spectroscopy. Materials and Methods: This study included 10 volunteers, who deposited their own saliva on skin of their ventral forearm by licking and water on the contralateral arm as control. This study was carried out at Central Leather Research Institute, Chennai. Study design: Ten volunteers deposited their own saliva on skin of their ventral forearm by licking. A control sample of water was deposited at the contralateral arm. Each sample was excited at 282 nm and emission spectrum was recorded. Results: The emission spectra of 10 swab samples taken from dried saliva were characterized at the primary peak of 345 to 355 nm whereas the emission spectrum of water as a control was recorded at 362 nm. Conclusion: The presence of emission spectrum at 345-355 nm with excitation at 282 nm proves to be a strong indicator of saliva deposited on human skin.

  6. Time resolved super continuum Cavity Ring-Down Spectroscopy for multicomponent gas detection

    International Nuclear Information System (INIS)

    In this work, we present a variation of the technique CRDS (Cavity Ring-Down Spectroscopy) to obtain simultaneously a multicomponent absorption spectrum in a broad visible range. This new approach uses the Supercontinuum (SC) spectrum (resulting from irradiation of nonlinear media by femtosecond lasers, or simply generated by compact sources) as a light source to illuminate the cavity. In this context it is described the features of the modules assembling a MC-SC-CRDS (Multicomponent Supercontinuum Cavity Ring-Down Spectroscopy): a set of high reflectivity mirrors, the resonant cavity and the detection system. Some problems related to the multimode excitation, stray light, effective use of the dynamic range of the detector, the poor resolution of the instrument to resolve narrow absorption lines are issued. We present the absorption spectra of H2O (polyads 4υ, 4υ + δ) and O2 (spin-forbidden b-X branch) measured simultaneously by this technique in the visible range and a comparison with the absorption lines based on HITRAN database is made to demonstrate the functionality of this method. (author)

  7. Impurity detection in solid and molten silicon by laser induced breakdown spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Darwiche, Sarah, E-mail: sarah-darwiche@chimie-paristech.fr [Laboratoire de Genie des Procedes Plasmas et Traitement de Surfaces (LGPPTS)-EA3492, 11, rue Pierre et Marie Curie 75005 Paris (France); UPMC Universite Pierre et Marie Curie (France); Benrabbah, Rafik [Laboratoire de Genie des Procedes Plasmas et Traitement de Surfaces (LGPPTS)-EA3492, 11, rue Pierre et Marie Curie 75005 Paris (France); UPMC Universite Pierre et Marie Curie (France); Benmansour, Malek [CEA-DRT-LITEN-DTS-LMPS, Savoie Technolac, BP332 - 73377 Le Bourget Du Lac (France); Morvan, Daniel [Laboratoire de Genie des Procedes Plasmas et Traitement de Surfaces (LGPPTS)-EA3492, 11, rue Pierre et Marie Curie 75005 Paris (France); ENSCP, Chimie ParisTech (France)

    2012-08-15

    The application of Laser Induced Breakdown Spectroscopy (LIBS) for the analysis of both solid and molten silicon has been developed. This technique provides fast and reliable chemical characterization of silicon. This work will present the investigation of experimental parameters such as buffering gas nature and pressure in order to find the most suitable conditions to quantify boron in solid silicon. These results show that the signal to background ratio (SBR) is improved by both the use of helium and argon instead of air and by reducing the pressure to 500 mbar. Using calibrated samples, calibration curves were prepared for boron and limits of detection of the order of 0.2 ppm were obtained working at a distance of 50 cm from the sample. Additionally, the capabilities of LIBS to analyze molten silicon (1410 Degree-Sign C) was demonstrated, opening the way for LIBS to be used as a process analytical technique. - Highlights: Black-Right-Pointing-Pointer Laser Induced Breakdown spectroscopy (LIBS) used for chemical analysis of silicon. Black-Right-Pointing-Pointer Boron and aluminum measured in both solid and molten silicon. Black-Right-Pointing-Pointer Boron is a very important component for the performance of photovoltaic cells. Black-Right-Pointing-Pointer LIBS on molten silicon for process control of industrial silicon production.

  8. Detection of nasopharyngeal cancer using confocal Raman spectroscopy and genetic algorithm technique

    Science.gov (United States)

    Li, Shao-Xin; Chen, Qiu-Yan; Zhang, Yan-Jiao; Liu, Zhi-Ming; Xiong, Hong-Lian; Guo, Zhou-Yi; Mai, Hai-Qiang; Liu, Song-Hao

    2012-12-01

    Raman spectroscopy (RS) and a genetic algorithm (GA) were applied to distinguish nasopharyngeal cancer (NPC) from normal nasopharyngeal tissue. A total of 225 Raman spectra are acquired from 120 tissue sites of 63 nasopharyngeal patients, 56 Raman spectra from normal tissue and 169 Raman spectra from NPC tissue. The GA integrated with linear discriminant analysis (LDA) is developed to differentiate NPC and normal tissue according to spectral variables in the selected regions of 792-805, 867-880, 996-1009, 1086-1099, 1288-1304, 1663-1670, and 1742-1752 cm-1 related to proteins, nucleic acids and lipids of tissue. The GA-LDA algorithms with the leave-one-out cross-validation method provide a sensitivity of 69.2% and specificity of 100%. The results are better than that of principal component analysis which is applied to the same Raman dataset of nasopharyngeal tissue with a sensitivity of 63.3% and specificity of 94.6%. This demonstrates that Raman spectroscopy associated with GA-LDA diagnostic algorithm has enormous potential to detect and diagnose nasopharyngeal cancer.

  9. Impurity detection in solid and molten silicon by laser induced breakdown spectroscopy

    International Nuclear Information System (INIS)

    The application of Laser Induced Breakdown Spectroscopy (LIBS) for the analysis of both solid and molten silicon has been developed. This technique provides fast and reliable chemical characterization of silicon. This work will present the investigation of experimental parameters such as buffering gas nature and pressure in order to find the most suitable conditions to quantify boron in solid silicon. These results show that the signal to background ratio (SBR) is improved by both the use of helium and argon instead of air and by reducing the pressure to 500 mbar. Using calibrated samples, calibration curves were prepared for boron and limits of detection of the order of 0.2 ppm were obtained working at a distance of 50 cm from the sample. Additionally, the capabilities of LIBS to analyze molten silicon (1410 °C) was demonstrated, opening the way for LIBS to be used as a process analytical technique. - Highlights: ► Laser Induced Breakdown spectroscopy (LIBS) used for chemical analysis of silicon. ► Boron and aluminum measured in both solid and molten silicon. ► Boron is a very important component for the performance of photovoltaic cells. ► LIBS on molten silicon for process control of industrial silicon production.

  10. Nanoparticle detection in aqueous solutions using Raman and Laser Induced Breakdown Spectroscopy

    International Nuclear Information System (INIS)

    We show the chemical identification and quantification of the concentration and size of nanoparticle (NP) dispersions in aqueous solutions by using a combination of Raman Spectroscopy and Laser Induced Breakdown Spectroscopy (LIBS). The two spectroscopic techniques are applied to demonstrate the NP detection for off-line configuration. The implementation of the techniques for further in-line and on-line NP monitoring will allow for the optimization of the synthesis process, reduction of the failure rate and improvement of NP quality. We demonstrate the implementation of the Raman–LIBS technique on two metaloxide nanoparticles: titanium dioxide (TiO2) and a rare earth sesquioxide nanoparticle, holmium oxide (Ho2O3). The determination of the elemental (LIBS) and molecular (Raman) compositions, as well as the determination of the particle size down to 5 nm is demonstrated. The LIBS spectra of NP dispersions reveal the absorption of the continuum emission by the electrons present in the plasma via the inverse Bremsstrahlung effect. This effect manifests as the appearance of dips in the LIBS spectrum, rather than the conventional emission peaks. An interpretation of these spectra that incorporates this absorption effect is presented, enabling new opportunities for understanding the LIBS spectra of liquids

  11. A low-power, CMOS peak detect and hold circuit for nuclear pulse spectroscopy

    International Nuclear Information System (INIS)

    A low-power CMOS peak detecting track and hold circuit optimized for nuclear pulse spectroscopy is presented. The circuit topology eliminates the need for a rectifying diode, reducing the effect of charge injection into the hold capacitor, incorporates a linear gate at the input to prevent pulse pileup, and uses dynamic bias control that minimizes both pedestal and droop. Both positive-going and negative-going pulses are accommodated using a complementary set of track and hold circuits. Full characterization of the design fabricated in 1.2 microm CMOS including dynamic range, integral nonlinearity, droop rate, pedestal, and power measurements is presented. The circuit operates with only 250 microm for input pulses with 7 micros peaking time. Power consumption was increased to 750 microw for driving off-chip and test system capacitances. Analysis and design approaches for optimization of operational characteristics are also discussed

  12. Position-sensitive detection of ultracold neutrons with an imaging camera and its implications to spectroscopy

    Science.gov (United States)

    Wei, Wanchun; Broussard, L. J.; Hoffbauer, M. A.; Makela, M.; Morris, C. L.; Tang, Z.; Adamek, E. R.; Callahan, N. B.; Clayton, S. M.; Cude-Woods, C.; Currie, S.; Dees, E. B.; Ding, X.; Geltenbort, P.; Hickerson, K. P.; Holley, A. T.; Ito, T. M.; Leung, K. K.; Liu, C.-Y.; Morley, D. J.; Ortiz, Jose D.; Pattie, R. W.; Ramsey, J. C.; Saunders, A.; Seestrom, S. J.; Sharapov, E. I.; Sjue, S. K.; Wexler, J.; Womack, T. L.; Young, A. R.; Zeck, B. A.; Wang, Zhehui

    2016-09-01

    Position-sensitive detection of ultracold neutrons (UCNs) is demonstrated using an imaging charge-coupled device (CCD) camera. A spatial resolution less than 15 μm has been achieved, which is equivalent to a UCN energy resolution below 2 pico-electron-volts through the relation δE =m0 gδx. Here, the symbols δE, δx, m0 and g are the energy resolution, the spatial resolution, the neutron rest mass and the gravitational acceleration, respectively. A multilayer surface convertor described previously is used to capture UCNs and then emits visible light for CCD imaging. Particle identification and noise rejection are discussed through the use of light intensity profile analysis. This method allows different types of UCN spectroscopy and other applications.

  13. Detection of compatibility between baclofen and excipients with aid of infrared spectroscopy and chemometry

    Science.gov (United States)

    Rojek, Barbara; Wesolowski, Marek; Suchacz, Bogdan

    2013-12-01

    In the paper infrared (IR) spectroscopy and multivariate exploration techniques: principal component analysis (PCA) and cluster analysis (CA) were applied as supportive methods for the detection of physicochemical incompatibilities between baclofen and excipients. In the course of research, the most useful rotational strategy in PCA proved to be varimax normalized, while in CA Ward's hierarchical agglomeration with Euclidean distance measure enabled to yield the most interpretable results. Chemometrical calculations confirmed the suitability of PCA and CA as the auxiliary methods for interpretation of infrared spectra in order to recognize whether compatibilities or incompatibilities between active substance and excipients occur. On the basis of IR spectra and the results of PCA and CA it was possible to demonstrate that the presence of lactose, β-cyclodextrin and meglumine in binary mixtures produce interactions with baclofen. The results were verified using differential scanning calorimetry, differential thermal analysis, thermogravimetry/differential thermogravimetry and X-ray powder diffraction analyses.

  14. Two-Dimensional Heterodyne-Detected VSFG Spectroscopy of Water Molecules at Charged Interfaces

    Directory of Open Access Journals (Sweden)

    Yamaguchi S.

    2013-03-01

    Full Text Available Two-dimensional heterodyne-detected vibrational sum-frequency generation (2D-HD-VSFG spectroscopy of water at interfaces has been realized for the first time. In the present study, 2D-HD-VSFG spectra were measured at a charged monolayer / isotopically diluted water interface. In contrast to the 2D-IR spectrum of bulk isotopically diluted water, the 2D-HD- VSFG of the charged interface shows a narrower bleach band in the higher frequency region immediately after the photoexcitation. The results clearly show that the dynamics of the water at the charged interface is different from that in the bulk, reflecting the different environment where water molecules are located.

  15. Visible-super-resolution infrared microscopy using saturated transient fluorescence detected infrared spectroscopy

    Science.gov (United States)

    Bokor, Nándor; Inoue, Keiichi; Kogure, Satoshi; Fujii, Masaaki; Sakai, Makoto

    2010-02-01

    A scanning visible-super-resolution microscope based on the saturation behaviour of transient fluorescence detected infrared (TFD-IR) spectroscopy is proposed. A Gaussian IR beam, a Gaussian visible beam and a Laguerre-Gaussian (LG) visible beam are used to obtain two separate two-color excitation fluorescence (2CF) images of the sample. The final image is obtained as the difference between the two recorded images. If the peak intensity of the LG beam is high enough to induce saturation in the fluorescence signal, the image can, in principle, have unlimited spatial resolution. A ˜3-fold improvement in transverse resolution over the visible diffraction limit (and far exceeding the IR diffraction limit) is easily achievable in present experimental setups.

  16. Detection and quantification of dithiocarbamate pesticides by Surface Enhanced Raman Spectroscopy (SERS)

    Science.gov (United States)

    Saute, Benjamin Calvin

    Dithiocarbamates are a subclass of carbamate pesticides that are widely used as insecticidal agents on food crops in the US and abroad. Quantitative determination of trace quantities of dithiocarbamates is necessary in order to mitigate potential human exposure via pesticide residues left on inadequately washed food items as well as groundwater contamination from agricultural runoff. The focus of this research is on the development and optimization of a Surface Enhanced Raman Spectroscopy (SERS) based analytical technique for the quantitative determination of trace amounts of dithiocarbamate pesticides in different matrices. Gold nanoparticles of different shapes and sizes will be investigated to determine the suitability of these materials as SERS active substrates for the trace analysis of dithiocarbamate pesticides. Analytical sensitivity will be evaluated by determining the limits of detection using established statistical methods.

  17. Precision of coherence analysis to detect cerebral autoregulation by near-infrared spectroscopy in preterm infants

    DEFF Research Database (Denmark)

    Hahn, GH; Christensen, KB; Leung, TS; Greisen, G

    2010-01-01

    Coherence between spontaneous fluctuations in arterial blood pressure (ABP) and the cerebral near-infrared spectroscopy signal can detect cerebral autoregulation. Because reliable measurement depends on signals with high signal-to-noise ratio, we hypothesized that coherence is more precisely....... We also examined total monitoring time required to discriminate among infants with a simulation study. We studied 22 preterm infants (GA<30) yielding 215 10-min measurements. Surprisingly, adjusting for variabilityABP within the power spectrum did not improve the precision. However, adjusting for the...... variabilityABP among repeated measurements (i.e., weighting measurements with high variabilityABP in favor of those with low) improved the precision. The evidence of drift in individual infants was weak. Minimum monitoring time needed to discriminate among infants was 1.3–3.7 h. Coherence analysis in low...

  18. Position-sensitive detection of ultracold neutrons with an imaging camera and its implications to spectroscopy

    CERN Document Server

    Wei, Wanchun; Hoffbauer, M A; Makela, M; Morris, C L; Tang, Z; Adamek, E R; Callahan, N B; Clayton, S M; Cude-Woods, C; Currie, S; Dees, E B; Ding, X; Geltenbort, P; Hickerson, K P; Holley, A T; Ito, T M; Leung, K K; Liu, C -Y; Morley, D J; Ramsey, J C; Pattie,, R W; Salvat, D J; Saunders, A; Seestrom, S J; Sharapov, E I; Sjue, S K; Wexler, J; Womack, T L; Young, A R; Zeck, B A; Wang, Zhehui

    2016-01-01

    Position-sensitive detection of ultracold neutrons (UCNs) is demonstrated using an imaging charge-coupled device (CCD) camera. A spatial resolution less than 15 $\\mu$m has been achieved, which through the relation $\\delta E = m_0g \\delta x$, converts to UCN energy resolution below 2 pico-electron volts. The symbols $\\delta E$, $\\delta x$, $m_0$ and $g$ are for energy resolution, spatial resolution, the neutron rest mass and gravitational acceleration respectively. A multilayer surface convertor described previously is used to capture UCNs and emits visible light for CCD imaging. Particle identification and noise rejection are discussed through light intensity profile analysis. This method allows new types of UCN spectroscopy and various applications.

  19. Adulteration detection in milk using infrared spectroscopy combined with two-dimensional correlation analysis

    Science.gov (United States)

    He, Bin; Liu, Rong; Yang, Renjie; Xu, Kexin

    2010-02-01

    Adulteration of milk and dairy products has brought serious threats to human health as well as enormous economic losses to the food industry. Considering the diversity of adulterants possibly mixed in milk, such as melamine, urea, tetracycline, sugar/salt and so forth, a rapid, widely available, high-throughput, cost-effective method is needed for detecting each of the components in milk at once. In this paper, a method using Fourier Transform Infrared spectroscopy (FTIR) combined with two-dimensional (2D) correlation spectroscopy is established for the discriminative analysis of adulteration in milk. Firstly, the characteristic peaks of the raw milk are found in the 4000-400 cm-1 region by its original spectra. Secondly, the adulterant samples are respectively detected with the same method to establish a spectral database for subsequent comparison. Then, 2D correlation spectra of the samples are obtained which have high time resolution and can provide information about concentration-dependent intensity changes not readily accessible from one-dimensional spectra. And the characteristic peaks in the synchronous 2D correlation spectra of the suspected samples are compared with those of raw milk. The differences among their synchronous spectra imply that the suspected milk sample must contain some kinds of adulterants. Melamine, urea, tetracycline and glucose adulterants in milk are identified respectively. This nondestructive method can be used for a correct discrimination on whether the milk and dairy products are adulterated with deleterious substances and it provides a new simple and cost-effective alternative to test the components of milk.

  20. Electrochemical impedance spectroscopy based MEMS sensors for phthalates detection in water and juices

    Science.gov (United States)

    Zia, Asif I.; Mohd Syaifudin, A. R.; Mukhopadhyay, S. C.; Yu, P. L.; Al-Bahadly, I. H.; Gooneratne, Chinthaka P.; Kosel, Jǘrgen; Liao, Tai-Shan

    2013-06-01

    Phthalate esters are ubiquitous environmental and food pollutants well known as endocrine disrupting compounds (EDCs). These developmental and reproductive toxicants pose a grave risk to the human health due to their unlimited use in consumer plastic industry. Detection of phthalates is strictly laboratory based time consuming and expensive process and requires expertise of highly qualified and skilled professionals. We present a real time, non-invasive, label free rapid detection technique to quantify phthalates' presence in deionized water and fruit juices. Electrochemical impedance spectroscopy (EIS) technique applied to a novel planar inter-digital (ID) capacitive sensor plays a vital role to explore the presence of phthalate esters in bulk fluid media. The ID sensor with multiple sensing gold electrodes was fabricated on silicon substrate using micro-electromechanical system (MEMS) device fabrication technology. A thin film of parylene C polymer was coated as a passivation layer to enhance the capacitive sensing capabilities of the sensor and to reduce the magnitude of Faradic current flowing through the sensor. Various concentrations, 0.002ppm through to 2ppm of di (2-ethylhexyl) phthalate (DEHP) in deionized water, were exposed to the sensing system by dip testing method. Impedance spectra obtained was analysed to determine sample conductance which led to consequent evaluation of its dielectric properties. Electro-chemical impedance spectrum analyser algorithm was employed to model the experimentally obtained impedance spectra. Curve fitting technique was applied to deduce constant phase element (CPE) equivalent circuit based on Randle's equivalent circuit model. The sensing system was tested to detect different concentrations of DEHP in orange juice as a real world application. The result analysis indicated that our rapid testing technique is able to detect the presence of DEHP in all test samples distinctively.

  1. Electrochemical impedance spectroscopy based MEMS sensors for phthalates detection in water and juices

    International Nuclear Information System (INIS)

    Phthalate esters are ubiquitous environmental and food pollutants well known as endocrine disrupting compounds (EDCs). These developmental and reproductive toxicants pose a grave risk to the human health due to their unlimited use in consumer plastic industry. Detection of phthalates is strictly laboratory based time consuming and expensive process and requires expertise of highly qualified and skilled professionals. We present a real time, non-invasive, label free rapid detection technique to quantify phthalates' presence in deionized water and fruit juices. Electrochemical impedance spectroscopy (EIS) technique applied to a novel planar inter-digital (ID) capacitive sensor plays a vital role to explore the presence of phthalate esters in bulk fluid media. The ID sensor with multiple sensing gold electrodes was fabricated on silicon substrate using micro-electromechanical system (MEMS) device fabrication technology. A thin film of parylene C polymer was coated as a passivation layer to enhance the capacitive sensing capabilities of the sensor and to reduce the magnitude of Faradic current flowing through the sensor. Various concentrations, 0.002ppm through to 2ppm of di (2-ethylhexyl) phthalate (DEHP) in deionized water, were exposed to the sensing system by dip testing method. Impedance spectra obtained was analysed to determine sample conductance which led to consequent evaluation of its dielectric properties. Electro-chemical impedance spectrum analyser algorithm was employed to model the experimentally obtained impedance spectra. Curve fitting technique was applied to deduce constant phase element (CPE) equivalent circuit based on Randle's equivalent circuit model. The sensing system was tested to detect different concentrations of DEHP in orange juice as a real world application. The result analysis indicated that our rapid testing technique is able to detect the presence of DEHP in all test samples distinctively.

  2. Electrochemical impedance spectroscopy based MEMS sensors for phthalates detection in water and juices

    KAUST Repository

    Zia, Asif I

    2013-06-10

    Phthalate esters are ubiquitous environmental and food pollutants well known as endocrine disrupting compounds (EDCs). These developmental and reproductive toxicants pose a grave risk to the human health due to their unlimited use in consumer plastic industry. Detection of phthalates is strictly laboratory based time consuming and expensive process and requires expertise of highly qualified and skilled professionals. We present a real time, non-invasive, label free rapid detection technique to quantify phthalates\\' presence in deionized water and fruit juices. Electrochemical impedance spectroscopy (EIS) technique applied to a novel planar inter-digital (ID) capacitive sensor plays a vital role to explore the presence of phthalate esters in bulk fluid media. The ID sensor with multiple sensing gold electrodes was fabricated on silicon substrate using micro-electromechanical system (MEMS) device fabrication technology. A thin film of parylene C polymer was coated as a passivation layer to enhance the capacitive sensing capabilities of the sensor and to reduce the magnitude of Faradic current flowing through the sensor. Various concentrations, 0.002ppm through to 2ppm of di (2-ethylhexyl) phthalate (DEHP) in deionized water, were exposed to the sensing system by dip testing method. Impedance spectra obtained was analysed to determine sample conductance which led to consequent evaluation of its dielectric properties. Electro-chemical impedance spectrum analyser algorithm was employed to model the experimentally obtained impedance spectra. Curve fitting technique was applied to deduce constant phase element (CPE) equivalent circuit based on Randle\\'s equivalent circuit model. The sensing system was tested to detect different concentrations of DEHP in orange juice as a real world application. The result analysis indicated that our rapid testing technique is able to detect the presence of DEHP in all test samples distinctively.

  3. Airborne Nanoparticle Detection By Sampling On Filters And Laser-Induced Breakdown Spectroscopy Analysis

    Energy Technology Data Exchange (ETDEWEB)

    Dewalle, Pascale; Sirven, Jean-Baptiste [CEA Saclay, DEN, Department of Physical Chemistry, F-91191 Gif-sur-Yvette (France); Roynette, Audrey; Gensdarmes, Francois [IRSN, DSU, Aerosol Physics and Metrology Laboratory, F-91192 Gif-sur-Yvette (France); Golanski, Luana; Motellier, Sylvie, E-mail: jean-baptiste.sirven@cea.fr [CEA Grenoble, DRT, LITEN, Laboratory of Nanomaterial Chemistry and Security, F-38054 Grenoble (France)

    2011-07-06

    Nowadays, due to their unique physical and chemical properties, engineered nanoparticles are increasingly used in a variety of industrial sectors. However, questions are raised about the safety of workers who produce and handle these particles. Therefore it is necessary to assess the potential exposure by inhalation of these workers. There is thereby a need to develop a suitable instrumentation which can detect selectively the presence of engineered nanoparticles in the ambient atmosphere. In this paper Laser-Induced Breakdown Spectroscopy (LIBS) is used to meet this target. LIBS can be implemented on site since it is a fast and direct technique which requires no sample preparation. The approach consisted in sampling Fe{sub 2}O{sub 3} and TiO{sub 2} nanoparticles on a filter, respectively a mixed cellulose ester membrane and a polycarbonate membrane, and to measure the surface concentration of Fe and Ti by LIBS. Then taking into account the sampling parameters (flow, duration, filter surface) we could calculate a detection limit in volume concentration in the atmosphere. With a sampling at 10 L/min on a 10 cm{sup 2} filter during 1 min, we obtained detection limits of 56 {mu}g/m{sup 3} for Fe and 22 {mu}g/m{sup 3} for Ti. These figures, obtained in real time, are significantly below existing workplace exposure recommendations of the EU-OSHA and of the NIOSH. These results are very encouraging and will be completed in a future work on airborne carbon nanotube detection.

  4. Detection of the mycotoxin citrinin using silver substrates and Raman spectroscopy

    International Nuclear Information System (INIS)

    Highlights: • The mycotoxin citrinin was detected using Ag substrates and Raman spectroscopy. • Prepared Ag substrates were characterized by electron microscopic tools. • Density functional theory calculation predicted the most stable geometry on Ag. -- Abstract: We detected a trace amount of the mycotoxin citrinin using surface-enhanced Raman scattering (SERS) on silver nanoparticle (Ag NP) surfaces. The SERS substrate on hydrophobic Teflon films was also introduced to observe the citrinin peaks. A broad band at ∼1382 cm−1, which was ascribed to the symmetric carboxylate stretching mode, was observed in addition to an antisymmetric carboxylate stretching mode at ∼1568 cm−1 in the Raman spectra. The spectral feature indicated that citrinin would adsorb on Ag NPs via its carboxylate form. Based on density functional theory (DFT) calculations, vibrational mode analysis was performed to compare the Raman spectra of citrinin. DFT calculations also predicted that a bidentate bridge configuration through O15 and O16 atoms in citrinin would be the most stable on three Ag atoms. After treating with Ag NPs, observation of citrinin peaks was attempted in fungal cells of Penicillium citrinum. This work may provide useful insights into the direct observation of the hazardous citrinin mycotoxin using SERS by understanding its adsorption behaviors on Ag surfaces

  5. Coherent anti-stokes Raman spectroscopy for detecting explosives in real time

    Science.gov (United States)

    Dogariu, Arthur; Pidwerbetsky, Alex

    2012-06-01

    We demonstrate real-time stand-off detection and imaging of trace explosives using collinear, backscattered Coherent Anti-Stokes Raman Spectroscopy (CARS). Using a hybrid time-resolved broad-band CARS we identify nanograms of explosives on the millisecond time scale. The broad-band excitation in the near-mid-infrared region excites the vibrational modes in the fingerprint region, and the time-delayed probe beam ensures the reduction of any non-resonant contributions to the CARS signal. The strong coherent enhancement allows for recording Raman spectra in real-time. We demonstrate stand-off detection by acquiring, analyzing, and identifying vibrational fingerprints in real-time with very high sensitivity and selectivity. By extending the focused region from a 100-micron sized spot to a 5mm long line we can obtain the spectral information from an extended region of the remote target with high spatial resolution. We demonstrate fast hyperspectral imaging by one-dimensional scanning of the Line-CARS. The three-dimensional data structure contains the vibrational spectra of the target at each sampled location, which allows for chemical mapping of the remote target.

  6. Polypyrrole-Au Nanoparticles Composite as Suitable Platform for DNA Biosensor with Electrochemical Impedance Spectroscopy Detection

    International Nuclear Information System (INIS)

    Application of a composite consisting of polypyrrole (PPy) and gold nanoparticles (Au Nps) to the construction of sensing layer in DNA biosensors led to the enhancement of the sensitivity due to the increase in the number of probe DNA strands in the layer by at least two orders of magnitude compared to the regular thiol intermediate layers. The probe DNA strands attached to the Au nanoparticles in the composite layer were fully available for the hybridization process. The examination of the composites containing a constant amount of Au nanoparticles and varying in PPy-layer thickness was done using electrochemical impedance spectroscopy, voltammetry and scanning electron microscopy. The optimal PPy layer thickness was determined to be in the range 10–20 nm. Such thickness of the polymer layer led to the elimination of aggregation of metal nanoparticles electrodeposited at the PPy surface. The sensor response (ΔRct) increased linearly with logarithm of concentration of target DNA in the range 2·10−13–2·10−6 M. The obtained detection limit of target DNA in the sample was circa 8.4·10−13 M. This limit is equivalent to the detection of circa 3.5·106 copies of DNA in a 7-μl droplet or circa 5·1011 DNA copies in one-liter sample

  7. Cavity ring-down spectroscopy sensor for detection of hydrogen chloride

    Directory of Open Access Journals (Sweden)

    C. L. Hagen

    2013-08-01

    Full Text Available A laser-based cavity ring-down spectroscopy (CRDS sensor for measurement of hydrogen chloride (HCl has been developed and characterized. The instrument uses light from a distributed-feedback diode laser at 1742 nm coupled to a high finesse optical cavity to make sensitive and quantifiable concentration measurements of HCl based on optical absorption. The instrument has a (1σ limit of detection of < 20 pptv in 1 min and has high specificity to HCl. The measurement response time to changes in input HCl concentration is < 15 s. Validation studies with a previously calibrated permeation tube setup show an accuracy of better than 10%. The CRDS sensor was preliminarily tested in the field with two other HCl instruments (mist chamber and chemical ionization mass spectrometry, all of which were in broad agreement. The mist chamber and CRDS sensors both showed a 400 pptv plume within 50 pptv agreement. The sensor also allows simultaneous sensitive measurements of water and methane, and minimal hardware modification would allow detection of other near-infrared absorbers.

  8. Blood surface-enhanced Raman spectroscopy based on Ag and Au nanoparticles for nasopharyngeal cancer detection

    Science.gov (United States)

    Lin, Duo; Ge, Xiaosong; Lin, Xueliang; Chen, Guannan; Chen, Rong

    2016-05-01

    This study aims to evaluate and compare the utility of blood surface-enhanced Raman spectroscopy (SERS) based on Au or Ag nanoparticles (NPs), respectively, for detection of nasopharyngeal cancer (NPC). A rapid home-made Raman system was employed for SERS measurement, and high quality SERS spectra can be recorded from blood plasma samples belonging to 60 healthy volunteers and 100 NPC patients, using both metallic NPs. The spectral differences under Ag-SERS measurement between the normal and cancer groups are more significant than Au-SERS. Principal component analysis combined with linear discriminant analysis (PCA-LDA) was used for differentiating the two blood groups with a diagnostic sensitivity and specificity of 90% and 95%, respectively, using Ag-SERS method, which has almost a 20% improvement in diagnostic specificity in comparison to Au-SERS. This exploratory study demonstrates that blood SERS based on Ag NPs is capable of achieving a better diagnostic performance for NPC detection, and has promising potential for improving NPC screening.

  9. Use of nonlocal helium microplasma for gas impurities detection by the collisional electron spectroscopy method

    International Nuclear Information System (INIS)

    The collisional electron spectroscopy (CES) method, which lays the ground for a new field for analytical detection of gas impurities at high pressures, has been verified. The CES method enables the identification of gas impurities in the collisional mode of electron movement, where the advantages of nonlocal formation of the electron energy distribution function (EEDF) are fulfilled. Important features of dc negative glow microplasma and probe method for plasma diagnostics are applied. A new microplasma gas analyzer design is proposed. Admixtures of 0.2% Ar, 0.6% Kr, 0.1% N2, and 0.05% CO2 are used as examples of atomic and molecular impurities to prove the possibility for detecting and identifying their presence in high pressure He plasma (50–250 Torr). The identification of the particles under analysis is made from the measurements of the high energy part of the EEDF, where maxima appear, resulting from the characteristic electrons released in Penning reactions of He metastable atoms with impurity particles. Considerable progress in the development of a novel miniature gas analyzer for chemical sensing in gas phase environments has been made

  10. Simultaneous time and frequency detection in femtosecond coherent Raman spectroscopy. I. Theory and model calculations

    Science.gov (United States)

    Urbanek, Diana C.; Berg, Mark A.

    2007-07-01

    For coherent Raman spectroscopies, common femtosecond pulses often lie in an intermediate regime: their bandwidth is too wide for measurements in the frequency domain, but their temporal width is too broad for homodyne measurements in the time domain. A recent paper [S. Nath et al., Phys. Rev. Lett. 97, 267401 (2006)] showed that complete Raman spectra can be recovered from intermediate length pulses by using simultaneous time and frequency detection (TFD). Heterodyne detection and a phase-stable local oscillator at the anti-Stokes frequency are not needed with TFD. This paper examines the theory of TFD Raman in more detail; a companion paper tests the results on experimental data. Model calculations illustrate how information on the Raman spectrum is transferred from the frequency domain to the time domain as the pulse width shortens. When data are collected in both dimensions, the Raman spectrum is completely determined to high resolution, regardless of the probe pulse width. The loss of resolution in many femtosecond coherent Raman experiments is due to the restriction to one-dimensional data collection, rather than due to a fundamental restriction based on the pulse width.

  11. Use of nonlocal helium microplasma for gas impurities detection by the collisional electron spectroscopy method

    Energy Technology Data Exchange (ETDEWEB)

    Kudryavtsev, Anatoly A., E-mail: akud@ak2138.spb.edu [St. Petersburg State University, 7-9 Universitetskaya nab., 199034 St. Petersburg (Russian Federation); Stefanova, Margarita S.; Pramatarov, Petko M. [Institute of Solid State Physics, Bulgarian Academy of Sciences, 72 Tzarigradsko Chaussee blvd., 1784 Sofia (Bulgaria)

    2015-10-15

    The collisional electron spectroscopy (CES) method, which lays the ground for a new field for analytical detection of gas impurities at high pressures, has been verified. The CES method enables the identification of gas impurities in the collisional mode of electron movement, where the advantages of nonlocal formation of the electron energy distribution function (EEDF) are fulfilled. Important features of dc negative glow microplasma and probe method for plasma diagnostics are applied. A new microplasma gas analyzer design is proposed. Admixtures of 0.2% Ar, 0.6% Kr, 0.1% N{sub 2}, and 0.05% CO{sub 2} are used as examples of atomic and molecular impurities to prove the possibility for detecting and identifying their presence in high pressure He plasma (50–250 Torr). The identification of the particles under analysis is made from the measurements of the high energy part of the EEDF, where maxima appear, resulting from the characteristic electrons released in Penning reactions of He metastable atoms with impurity particles. Considerable progress in the development of a novel miniature gas analyzer for chemical sensing in gas phase environments has been made.

  12. Detection and characterization of glaucoma-like canine retinal tissues using Raman spectroscopy

    Science.gov (United States)

    Wang, Qi; Grozdanic, Sinisa D.; Harper, Matthew M.; Hamouche, Karl; Hamouche, Nicholas; Kecova, Helga; Lazic, Tatjana; Hernandez-Merino, Elena; Yu, Chenxu

    2013-06-01

    Early detection of pathological changes and progression in glaucoma and other neuroretinal diseases remains a great challenge and is critical to reduce permanent structural and functional retina and optic nerve damage. Raman spectroscopy is a sensitive technique that provides rapid biochemical characterization of tissues in a nondestructive and noninvasive fashion. In this study, spectroscopic analysis was conducted on the retinal tissues of seven beagles with acute elevation of intraocular pressure (AEIOP), six beagles with compressive optic neuropathy (CON), and five healthy beagles. Spectroscopic markers were identified associated with the different neuropathic conditions. Furthermore, the Raman spectra were subjected to multivariate discriminate analysis to classify independent tissue samples into diseased/healthy categories. The multivariate discriminant model yielded an average optimal classification accuracy of 72.6% for AEIOP and 63.4% for CON with 20 principal components being used that accounted for 87% of the total variance in the data set. A strong correlation (R2>0.92) was observed between pattern electroretinography characteristics of AEIOP dogs and Raman separation distance that measures the separation of spectra of diseased tissues from normal tissues; however, the underlining mechanism of this correlation remains to be understood. Since AEIOP mimics the pathological symptoms of acute/early-stage glaucoma, it was demonstrated that Raman spectroscopic screening has the potential to become a powerful tool for the detection and characterization of early-stage disease.

  13. New sensitive agents for detecting singlet oxygen by electron spin resonance spectroscopy.

    Science.gov (United States)

    Igarashi, T; Sakurai, K; Oi, T; Obara, H; Ohya, H; Kamada, H

    1999-05-01

    Free radicals are well-established transient intermediates in chemical and biological processes. Singlet oxygen, though not a free radical, is also a fairly common reactive chemical species. It is rare that singlet oxygen is studied with the electron spin resonance (ESR) technique in biological systems, because there are few suitable detecting agents. We have recently researched some semiquinone radicals. Specifically, our focus has been on bipyrazole derivatives, which slowly convert to semiquinone radicals in DMSO solution in the presence of potassium tert-butoxide and oxygen. These bipyrazole derivatives are dimers of 3-methyl-1-phenyl-2-pyrazolin-5-one and have anti-ischemic activities and free radical scavenging properties. In this work, we synthesized a new bipyrazole derivative, 4,4'-bis(1p-carboxyphenyl-3-methyl-5-hydroxyl)-pyrazole, DRD156. The resulting semiquinone radical, formed by reaction with singlet oxygen, was characterized by ESR spectroscopy. DRD156 gave no ESR signals from hydroxyl radical, superoxide, and hydrogen peroxide. DRD156, though, gives an ESR response with hypochlorite. This agent, nevertheless, has a much higher ability to detect singlet oxygen than traditional agents with the ESR technique. PMID:10381208

  14. Detection of the mycotoxin citrinin using silver substrates and Raman spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Singh, Dheeraj K.; Ganbold, Erdene-Ochir [Department of Chemistry, Soongsil University, Seoul 156-743 (Korea, Republic of); Cho, Eun-Min [College of Environment and Applied Chemistry, Kyung Hee University, Yongin 446-701 (Korea, Republic of); Cho, Kwang-Hwi [School of Systems Biomedical Science, Soongsil University, Sangdo-dong, Dongjak-gu, Seoul (Korea, Republic of); Kim, Doseok [Department of Physics, Sogang University, Seoul 121-742 (Korea, Republic of); Choo, Jaebum [Department of Bionano Engineering, Hanyang University, Sa-1-dong 1271, Ansan 426-791 (Korea, Republic of); Kim, Sehun [Molecular-level Interface Research Center and Department of Chemistry, KAIST, Daejeon 305-701 (Korea, Republic of); Lee, Cheol Min, E-mail: spica@hanyang.ac.kr [Institute of Environmental and Industrial Medicine, Hanyang University, 17 Haengdang-dong, Seongdong-gu, Seoul 133-791 (Korea, Republic of); Yang, Sung Ik, E-mail: siyang@khu.ac.kr [College of Environment and Applied Chemistry, Kyung Hee University, Yongin 446-701 (Korea, Republic of); Joo, Sang-Woo, E-mail: sjoo@ssu.ac.kr [Department of Chemistry, Soongsil University, Seoul 156-743 (Korea, Republic of)

    2014-01-30

    Highlights: • The mycotoxin citrinin was detected using Ag substrates and Raman spectroscopy. • Prepared Ag substrates were characterized by electron microscopic tools. • Density functional theory calculation predicted the most stable geometry on Ag. -- Abstract: We detected a trace amount of the mycotoxin citrinin using surface-enhanced Raman scattering (SERS) on silver nanoparticle (Ag NP) surfaces. The SERS substrate on hydrophobic Teflon films was also introduced to observe the citrinin peaks. A broad band at ∼1382 cm{sup −1}, which was ascribed to the symmetric carboxylate stretching mode, was observed in addition to an antisymmetric carboxylate stretching mode at ∼1568 cm{sup −1} in the Raman spectra. The spectral feature indicated that citrinin would adsorb on Ag NPs via its carboxylate form. Based on density functional theory (DFT) calculations, vibrational mode analysis was performed to compare the Raman spectra of citrinin. DFT calculations also predicted that a bidentate bridge configuration through O15 and O16 atoms in citrinin would be the most stable on three Ag atoms. After treating with Ag NPs, observation of citrinin peaks was attempted in fungal cells of Penicillium citrinum. This work may provide useful insights into the direct observation of the hazardous citrinin mycotoxin using SERS by understanding its adsorption behaviors on Ag surfaces.

  15. Heat shock-induced interactions among nuclear HSFs detected by fluorescence cross-correlation spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Pack, Chan-Gi, E-mail: changipack@amc.seoul.kr [Asan Institute for Life Sciences, University of Ulsan, College of Medicine, Asan Medical Center, Seoul 138-736 (Korea, Republic of); Ahn, Sang-Gun [Dept. of Pathology, College of Dentistry, Chosun University, Seosuk-dong, Dong-gu, Gwangju 501-759 (Korea, Republic of)

    2015-07-31

    The cellular response to stress is primarily controlled in cells via transcriptional activation by heat shock factor 1 (HSF1). HSF1 is well-known to form homotrimers for activation upon heat shock and subsequently bind to target DNAs, such as heat-shock elements, by forming stress granules. A previous study demonstrated that nuclear HSF1 and HSF2 molecules in live cells interacted with target DNAs on the stress granules. However, the process underlying the binding interactions of HSF family in cells upon heat shock remains unclear. This study demonstrate for the first time that the interaction kinetics among nuclear HSF1, HSF2, and HSF4 upon heat shock can be detected directly in live cells using dual color fluorescence cross-correlation spectroscopy (FCCS). FCCS analyses indicated that the binding between HSFs was dramatically changed by heat shock. Interestingly, the recovery kinetics of interaction between HSF1 molecules after heat shock could be represented by changes in the relative interaction amplitude and mobility. - Highlights: • The binding interactions among nuclear HSFs were successfully detected. • The binding kinetics between HSF1s during recovery was quantified. • HSF2 and HSF4 strongly formed hetero-complex, even before heat shock. • Nuclear HSF2 and HSF4 bound to HSF1 only after heat shock.

  16. Detection of toxic industrial chemicals in water supplies using surface-enhanced Raman spectroscopy

    Science.gov (United States)

    Spencer, Kevin M.; Sylvia, James M.; Spencer, Sarah A.; Clauson, Susan L.

    2010-04-01

    An effective method to create fear in the populace is to endanger the water supply. Homeland Security places significant importance on ensuring drinking water integrity. Beyond terrorism, accidental supply contamination from a spill or chemical residual increases is a concern. A prominent class of toxic industrial chemicals (TICs) is pesticides, which are prevalent in agricultural use and can be very toxic in minute concentrations. Detection of TICs or warfare agents must be aggressive; the contaminant needs to be rapidly detected and identified to enable isolation and remediation of the contaminated water while continuing a clean water supply for the population. Awaiting laboratory analysis is unacceptable as delay in identification and remediation increases the likelihood of infection. Therefore, a portable or online water quality sensor is required that can produce rapid results. In this presentation, Surface-Enhanced Raman Spectroscopy (SERS) is discussed as a viable fieldable sensor that can be immersed directly into the water supply and can provide results in chemical warfare agent degradation products, simulants and toxic industrial chemicals in distilled water, tap water and untreated water will be shown. In addition, results for chemical warfare agent degradation products and simulants will be presented. Receiver operator characteristic (ROC) curves will also be presented.

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

    Science.gov (United States)

    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

  18. Early detection of colorectal cancer relapse by infrared spectroscopy in ``normal'' anastomosis tissue

    Science.gov (United States)

    Salman, Ahmad; Sebbag, Gilbert; Argov, Shmuel; Mordechai, Shaul; Sahu, Ranjit K.

    2015-07-01

    Colorectal cancer is one of the most aggressive cancers usually occurring in people above the age of 50 years. In the United States, colorectal cancer is the third most diagnosed cancer. The American Cancer Society has estimated 96,830 new cases of colon cancer and 40,000 new cases of rectal cancer in 2014 in the United States. According to the literature, up to 55% of colorectal cancer patients experience a recurrence within five years from the time of surgery. Relapse of colorectal cancer has a deep influence on the quality of patient life. Infrared (IR) spectroscopy has been widely used in medicine. It is a noninvasive, nondestructive technique that can detect changes in cells and tissues that are caused by different disorders, such as cancer. Abnormalities in the colonic crypts, which are not detectable using standard histopathological methods, could be determined using IR spectroscopic methods. The IR measurements were performed on formalin-fixed, paraffin-embedded colorectal tissues from eight patients (one control, four local recurrences, three distant recurrences). A total of 128 crypts were measured. Our results showed the possibility of differentiating among control, local, and distant recurrence crypts with more than a 92% success rate using spectra measured from the crypts' middle sites.

  19. Detection of Ethanol Adulteration in Citronellal Oil by using Near Infared Spectroscopy and Multivariate Data Analysis

    Directory of Open Access Journals (Sweden)

    Hesti Meilina

    2013-01-01

    Full Text Available Citronella oil is one of the essential oils obtained from the leaves and stems of different species of Cymbopogon. The oil is used extensively as a source of perfumery chemicals such as citronellal, citronellol and geraniol. These chemicals are use in soap, perfumery, cosmetic, flavouring industries and also insect repellent throughout the world. The objective of this study is to use Near Infrared Spectroscopy (NIRS as a rapid analytical technique for quantitative assessment of purity in citronella oils. At first, the potential of NIRS in controlling and monitoring the quality of essential oil was investigated by diluting ethanol in different concentration as perturbation. Partial Least Square (PLS regression method was used as a mathematical approach to detect and quantify ethanol. A number of wavelength ranges and data pretreatments were explored. The accuracy of these mathematical models was compared, and the most successful models were identified. The results demonstrate that NIRS technology was useful in the rapid and accurate detect and quantify ethanol in citronella oil.

  20. Detection of reactive oxygen species in isolated, perfused lungs by electron spin resonance spectroscopy

    Directory of Open Access Journals (Sweden)

    Schudt Christian

    2005-07-01

    Full Text Available Abstract Background The sources and measurement of reactive oxygen species (ROS in intact organs are largely unresolved. This may be related to methodological problems associated with the techniques currently employed for ROS detection. Electron spin resonance (ESR with spin trapping is a specific method for ROS detection, and may address some these technical problems. Methods We have established a protocol for the measurement of intravascular ROS release from isolated buffer-perfused and ventilated rabbit and mouse lungs, combining lung perfusion with the spin probe l-hydroxy-3-carboxy-2,2,5,5-tetramethylpyrrolidine (CPH and ESR spectroscopy. We then employed this technique to characterize hypoxia-dependent ROS release, with specific attention paid to NADPH oxidase-dependent superoxide formation as a possible vasoconstrictor pathway. Results While perfusing lungs with CPH over a range of inspired oxygen concentrations (1–21 %, the rate of CP• formation exhibited an oxygen-dependence, with a minimum at 2.5 % O2. Addition of superoxide dismutase (SOD to the buffer fluid illustrated that a minor proportion of this intravascular ROS leak was attributable to superoxide. Stimulation of the lungs by injection of phorbol-12-myristate-13-acetate (PMA into the pulmonary artery caused a rapid increase in CP• formation, concomitant with pulmonary vasoconstriction. Both the PMA-induced CPH oxidation and the vasoconstrictor response were largely suppressed by SOD. When the PMA challenge was performed at different oxygen concentrations, maximum superoxide liberation and pulmonary vasoconstriction occurred at 5 % O2. Using a NADPH oxidase inhibitor and NADPH-oxidase deficient mice, we illustrated that the PMA-induced superoxide release was attributable to the stimulation of NADPH oxidases. Conclusion The perfusion of isolated lungs with CPH is suitable for detection of intravascular ROS release by ESR spectroscopy. We employed this technique to

  1. Rapid detection of benzoyl peroxide in wheat flour by using Raman scattering spectroscopy

    Science.gov (United States)

    Zhao, Juan; Peng, Yankun; Chao, Kuanglin; Qin, Jianwei; Dhakal, Sagar; Xu, Tianfeng

    2015-05-01

    Benzoyl peroxide is a common flour additive that improves the whiteness of flour and the storage properties of flour products. However, benzoyl peroxide adversely affects the nutritional content of flour, and excess consumption causes nausea, dizziness, other poisoning, and serious liver damage. This study was focus on detection of the benzoyl peroxide added in wheat flour. A Raman scattering spectroscopy system was used to acquire spectral signal from sample data and identify benzoyl peroxide based on Raman spectral peak position. The optical devices consisted of Raman spectrometer and CCD camera, 785 nm laser module, optical fiber, prober, and a translation stage to develop a real-time, nondestructive detection system. Pure flour, pure benzoyl peroxide and different concentrations of benzoyl peroxide mixed with flour were prepared as three sets samples to measure the Raman spectrum. These samples were placed in the same type of petri dish to maintain a fixed distance between the Raman CCD and petri dish during spectral collection. The mixed samples were worked by pretreatment of homogenization and collected multiple sets of data of each mixture. The exposure time of this experiment was set at 0.5s. The Savitzky Golay (S-G) algorithm and polynomial curve-fitting method was applied to remove the fluorescence background from the Raman spectrum. The Raman spectral peaks at 619 cm-1, 848 cm-1, 890 cm-1, 1001 cm-1, 1234 cm-1, 1603cm-1, 1777cm-1 were identified as the Raman fingerprint of benzoyl peroxide. Based on the relationship between the Raman intensity of the most prominent peak at around 1001 cm-1 and log values of benzoyl peroxide concentrations, the chemical concentration prediction model was developed. This research demonstrated that Raman detection system could effectively and rapidly identify benzoyl peroxide adulteration in wheat flour. The experimental result is promising and the system with further modification can be applicable for more products in near

  2. Detection of visually unrecognizable braking tracks using Laser-Induced Breakdown Spectroscopy, a feasibility study

    Science.gov (United States)

    Prochazka, David; Bilík, Martin; Prochazková, Petra; Brada, Michal; Klus, Jakub; Pořízka, Pavel; Novotný, Jan; Novotný, Karel; Ticová, Barbora; Bradáč, Albert; Semela, Marek; Kaiser, Jozef

    2016-04-01

    Identification of the position, length and mainly beginning of a braking track has proven to be essential for determination of causes of a road traffic accident. With the introduction of modern safety braking systems and assistance systems such as the Anti-lock Braking System (ABS) or Electronic Stability Control (ESC), the visual identification of braking tracks that has been used up until the present is proving to be rather complicated or even impossible. This paper focuses on identification of braking tracks using a spectrochemical analysis of the road surface. Laser-Induced Breakdown Spectroscopy (LIBS) was selected as a method suitable for fast in-situ element detection. In the course of detailed observations of braking tracks it was determined that they consist of small particles of tire treads that are caught in intrusions in the road surface. As regards detection of the "dust" resulting from wear and tear of tire treads in the environment, organic zinc was selected as the identification element in the past. The content of zinc in tire treads has been seen to differ with regard to various sources and tire types; however, the arithmetic mean and modus of these values are approximately 1% by weight. For in-situ measurements of actual braking tracks a mobile LIBS device equipped with a special module was used. Several measurements were performed for 3 different cars and tire types respectively which slowed down with full braking power. Moreover, the influence of different initial speed, vehicle mass and braking track length on detected signal is discussed here.

  3. Indirectly detected chemical shift correlation NMR spectroscopy in solids under fast magic angle spinning

    Energy Technology Data Exchange (ETDEWEB)

    Mao, Kanmi [Iowa State Univ., Ames, IA (United States)

    2011-01-01

    The development of fast magic angle spinning (MAS) opened up an opportunity for the indirect detection of insensitive low-γ nuclei (e.g., 13C and 15N) via the sensitive high-{gamma} nuclei (e.g., 1H and 19F) in solid-state NMR, with advanced sensitivity and resolution. In this thesis, new methodology utilizing fast MAS is presented, including through-bond indirectly detected heteronuclear correlation (HETCOR) spectroscopy, which is assisted by multiple RF pulse sequences for 1H-1H homonuclear decoupling. Also presented is a simple new strategy for optimization of 1H-1H homonuclear decoupling. As applications, various classes of materials, such as catalytic nanoscale materials, biomolecules, and organic complexes, are studied by combining indirect detection and other one-dimensional (1D) and two-dimensional (2D) NMR techniques. Indirectly detected through-bond HETCOR spectroscopy utilizing refocused INEPT (INEPTR) mixing was developed under fast MAS (Chapter 2). The time performance of this approach in 1H detected 2D 1H{l_brace}13C{r_brace} spectra was significantly improved, by a factor of almost 10, compared to the traditional 13C detected experiments, as demonstrated by measuring naturally abundant organic-inorganic mesoporous hybrid materials. The through-bond scheme was demonstrated as a new analytical tool, which provides complementary structural information in solid-state systems in addition to through-space correlation. To further benefit the sensitivity of the INEPT transfer in rigid solids, the combined rotation and multiple-pulse spectroscopy (CRAMPS) was implemented for homonuclear 1H decoupling under fast MAS (Chapter 3). Several decoupling schemes (PMLG5m$\\bar{x}$, PMLG5mm$\\bar{x}$x and SAM3) were analyzed to maximize the performance of through-bond transfer based

  4. Far-field infrared super-resolution microscopy using picosecond time-resolved transient fluorescence detected IR spectroscopy

    Science.gov (United States)

    Sakai, Makoto; Kawashima, Yasutake; Takeda, Akihiro; Ohmori, Tsutomu; Fujii, Masaaki

    2007-05-01

    A new far-field infrared super-resolution microscopy combining laser fluorescence microscope and picosecond time-resolved transient fluorescence detected IR (TFD-IR) spectroscopy is proposed. TFD-IR spectroscopy is a kind of IR-visible/UV double resonance spectroscopy, and detects IR transitions by the transient fluorescence due to electronic transition originating from vibrationally excited level populated by IR light. IR images of rhodamine-6G solution and of fluorescent beads were clearly observed by monitoring the transient fluorescence. Super-resolution twice higher than the diffraction limit for IR light was achieved. The IR spectrum due to the transient fluorescence was also measured from spatial domains smaller than the diffraction limit.

  5. Characterization of macadamia and pecan oils and detection of mixtures with other edible seed oils by Raman spectroscopy

    OpenAIRE

    Carmona, M. A.; Lafont, F.; Jiménez-Sanchidrián, C.; Ruiz, J.R.

    2015-01-01

    Authenticating fats and detecting their adulteration with substantially cheaper fats can pose major problems for producers of high-value oils for nutritional and cosmetic use. In this work, we used Raman spectroscopy to discriminate macadamia and pecan oils from other, cheaper vegetable oils including corn and sunflower oils. This technique additionally allows one to detect and assess the adulteration of macadamia oil with another vegetable oil.La autentificación de grasas para detectar su ad...

  6. Characterizing aeroallergens by infrared spectroscopy of fungal spores and pollen.

    Directory of Open Access Journals (Sweden)

    Boris Zimmermann

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

  7. S-band ferromagnetic resonance spectroscopy and the detection of magnetofossils

    Science.gov (United States)

    Gehring, A. U.; Kind, J.; Charilaou, M.; García-Rubio, I.

    2012-12-01

    Life on Earth is strongly associated with microbes and earliest evidence for their presence has been hypothesized from putative morphological microfossils in Archaean rocks of about 3.5 Ga. Geological records of microbial biota are sparse, because soft-bodied organisms that are expected to dominate natural environments do not preserve well. Magnetotactic bacteria (MTB) and their chemically stable magnetic remains, known as magnetofossils, have attracted considerable interest as proxy to infer microbial ecology during Earth's history. MTB form intracellularly ferrimagnetic particles encapsulated in membranes termed magnetosomes. These biominerals are organized along their [111] magnetic easy axes in chains that are stabilized by cytoskeletal protein filaments. The alignment of the easy axes causes pronounced magnetic interaction-induced shape anisotropy. Although the magnetic properties of MTB are well known, the detection of magnetofossils in geological samples remains ambiguous due to the decay of organic matter during diagenesis, which can critically effect the chain configuration and thus the anisotropy properties. We report the use of S-band ferromagnetic resonance spectroscopy (FMR) to compare the anisotropic properties of magnetite in chains of cultured intact MTB between 300 and 15 K with those of sediment samples of Holocene age in order to infer magnetofossils in a geological time frame. The spectrum of intact MTB at 300 K exhibits distinct uniaxial anisotropy, which becomes less pronounced upon cooling. Below the Verwey transition this anisotropy is nearly vanished mainly due to the change of direction of the easy axes from [111] to [100]. Magnetofossils in natural samples were detected by uniaxial anisotropy traits similar to those obtained from MTB above Verwey transition, which are indicative of chain configurations of the magnetite particles, generally aligned along the easy axes. Our comparative study emphasizes that essential information can be

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

    Energy Technology Data Exchange (ETDEWEB)

    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).

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

    Energy Technology Data Exchange (ETDEWEB)

    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).

  10. Application of tunable diode laser absorption spectroscopy in the detection of oxygen

    Science.gov (United States)

    Zhou, Xin; Jin, Xing

    2015-10-01

    Most aircrafts is driven by chemic energy which is released in the combustion process. For improving the capability of engine and controlling the running on-time, the processes of fuel physics and chemistry need to be analysis by kinds of high quality sensor. In the research of designing and improving the processes of fuel physics and chemistry, the concentration, temperature and velocity of kinds of gas in the combustor need to be detected and measured. In addition, these engines and research equipments are always in the harsh environment of high temperature, high pressure and high speed. The harsh environment needs the sensor to be high reliability, well repetition, no cross- sensitivity between gases, and the traditional measurement system can't satisfy the metrical requirement well. Tunable diode laser absorption spectroscopy (TDLAS) analytic measurement technology can well satisfy the measurement in the harsh environment, which can support the whole measurement plan and high quality measurement system. Because the TDLAS sensor has the excellence of small bulk, light weight, high reliability and well specifically measurement, the TDLAS measurement technology has wide prospects. Different from most measurements, only a beam of laser can be pass through the measured environment by TDLAS, and the measurement equipment needn't be set in the harsh environment. So, the TDLAS equipment can't be interrupted by the measured equipment. The ability of subsistence in the harsh environment is very valuable, especially in the measurement on the subject of aerospace with environment of high speed, combustion and plasma. This paper focuses on the collecting the articles on the subject of oxygen detection of TDLAS. By analyzing the research and results of the articles, we conclude the central issues, difficulties and results. And we can get some instructive conclusions.

  11. Tunable Diode Laser Atomic Absorption Spectroscopy for Detection of Potassium under Optically Thick Conditions.

    Science.gov (United States)

    Qu, Zhechao; Steinvall, Erik; Ghorbani, Ramin; Schmidt, Florian M

    2016-04-01

    Potassium (K) is an important element related to ash and fine-particle formation in biomass combustion processes. In situ measurements of gaseous atomic potassium, K(g), using robust optical absorption techniques can provide valuable insight into the K chemistry. However, for typical parts per billion K(g) concentrations in biomass flames and reactor gases, the product of atomic line strength and absorption path length can give rise to such high absorbance that the sample becomes opaque around the transition line center. We present a tunable diode laser atomic absorption spectroscopy (TDLAAS) methodology that enables accurate, calibration-free species quantification even under optically thick conditions, given that Beer-Lambert's law is valid. Analyte concentration and collisional line shape broadening are simultaneously determined by a least-squares fit of simulated to measured absorption profiles. Method validation measurements of K(g) concentrations in saturated potassium hydroxide vapor in the temperature range 950-1200 K showed excellent agreement with equilibrium calculations, and a dynamic range from 40 pptv cm to 40 ppmv cm. The applicability of the compact TDLAAS sensor is demonstrated by real-time detection of K(g) concentrations close to biomass pellets during atmospheric combustion in a laboratory reactor. PMID:26938713

  12. Elastic light single-scattering spectroscopy for detection of dysplastic tissues

    Science.gov (United States)

    Canpolat, Murat; Denkçeken, Tuba; Akman, Ayşe.; Alpsoy, Erkan; Tuncer, Recai; Akyüz, Mahmut; Baykara, Mehmet; Yücel, Selçuk; Başsorgun, Ibrahim; ćiftçioǧlu, M. Akif; Gökhan, Güzide Ayşe.; Gürer, ElifInanç; Peştereli, Elif; Karaveli, Šeyda

    2013-11-01

    Elastic light single-scattering spectroscopy (ELSSS) system has been developed and tested in diagnosis of cancerous tissues of different organs. ELSSS system consists of a miniature visible light spectrometer, a single fiber optical probe, a halogen tungsten light source and a laptop. Measurements were performed on excised brain, skin, cervix and prostate tumor specimens and surrounding normal tissues. Single fiber optical probe with a core diameter of 100 μm was used to deliver white light to and from tissue. Single optical fiber probe mostly detects singly scattered light from tissue rather than diffused light. Therefore, measured spectra are sensitive to size of scatters in tissue such as cells, nuclei, mitochondria and other organelles of cells. Usually, nuclei of tumor cells are larger than nuclei of normal cells. Therefore, spectrum of singly scattered light of tumor tissue is different than normal tissue. The spectral slopes were shown to be positive for normal brain, skin and prostate and cervix tissues and negative for the tumors of the same tissues. Signs of the spectral slopes were used as a discrimination parameter to differentiate tumor from normal tissues for the three organ tissues. Sensitivity and specificity of the system in differentiation between tumors from normal tissues were 93% and %100 for brain, 87% and 85% for skin, 93.7% and 46.1% for cervix and 98% and 100% for prostate.

  13. Magnetic resonance spectroscopy detectable metabolomic fingerprint of response to antineoplastic treatment.

    Directory of Open Access Journals (Sweden)

    Alessia Lodi

    Full Text Available Targeted therapeutic approaches are increasingly being implemented in the clinic, but early detection of response frequently presents a challenge as many new therapies lead to inhibition of tumor growth rather than tumor shrinkage. Development of novel non-invasive methods to monitor response to treatment is therefore needed. Magnetic resonance spectroscopy (MRS and magnetic resonance spectroscopic imaging are non-invasive imaging methods that can be employed to monitor metabolism, and previous studies indicate that these methods can be useful for monitoring the metabolic consequences of treatment that are associated with early drug target modulation. However, single-metabolite biomarkers are often not specific to a particular therapy. Here we used an unbiased 1H MRS-based metabolomics approach to investigate the overall metabolic consequences of treatment with the phosphoinositide 3-kinase inhibitor LY294002 and the heat shock protein 90 inhibitor 17AAG in prostate and breast cancer cell lines. LY294002 treatment resulted in decreased intracellular lactate, alanine fumarate, phosphocholine and glutathione. Following 17AAG treatment, decreased intracellular lactate, alanine, fumarate and glutamine were also observed but phosphocholine accumulated in every case. Furthermore, citrate, which is typically observed in normal prostate tissue but not in tumors, increased following 17AAG treatment in prostate cells. This approach is likely to provide further information about the complex interactions between signaling and metabolic pathways. It also highlights the potential of MRS-based metabolomics to identify metabolic signatures that can specifically inform on molecular drug action.

  14. In situ detection and identification of hair dyes using surface-enhanced Raman spectroscopy (SERS).

    Science.gov (United States)

    Kurouski, Dmitry; Van Duyne, Richard P

    2015-03-01

    Hair is one of the most common types of physical evidence found at a crime scene. Forensic examination may suggest a connection between a suspect and a crime scene or victim, or it may demonstrate an absence of such associations. Therefore, forensic analysis of hair evidence is invaluable to criminal investigations. Current hair forensic examinations are primarily based on a subjective microscopic comparison of hair found at the crime scene with a sample of suspect's hair. Since this is often inconclusive, the development of alternative and more-accurate hair analysis techniques is critical. In this study, we utilized surface-enhanced Raman spectroscopy (SERS) to demonstrate that artificial dyes can be directly detected on hair. This spectroscopic technique is capable of a confirmatory identification of analytes with single molecule resolution, requires minimal sample, and has the advantage of fluorescence quenching. Our study reveals that SERS can (1) identify whether hair was artificially dyed or not, (2) determine if a permanent or semipermanent colorants were used, and (3) distinguish the commercial brands that are utilized to dye hair. Such analysis is rapid, minimally destructive, and can be performed directly at the crime scene. This study provides a novel perspective of forensic investigations of hair evidence. PMID:25635868

  15. Non-invasive detection of periodontal disease using diffuse reflectance spectroscopy: a clinical study

    Science.gov (United States)

    Prasanth, Chandra Sekhar; Betsy, Joseph; Subhash, Narayanan; Jayanthi, Jayaraj L.; Prasanthila, Janam

    2012-03-01

    In clinical diagnostic procedures, gingival inflammation is considered as the initial stage of periodontal breakdown. This is often detected clinically by bleeding on probing as it is an objective measure of inflammation. Since conventional diagnostic procedures have several inherent drawbacks, development of novel non-invasive diagnostic techniques assumes significance. This clinical study was carried out in 15 healthy volunteers and 25 patients to demonstrate the applicability of diffuse reflectance (DR) spectroscopy for quantification and discrimination of various stages of inflammatory conditions in periodontal disease. The DR spectra of diseased lesions recorded using a point monitoring system consisting of a tungsten halogen lamp and a fiber-optic spectrometer showed oxygenated hemoglobin absorption dips at 545 and 575 nm. Mean DR spectra on normalization shows marked differences between healthy and different stages of gingival inflammation. Among the various DR intensity ratios investigated, involving oxy Hb absorption peaks, the R620/R575 ratio was found to be a good parameter of gingival inflammation. In order to screen the entire diseased area and its surroundings instantaneously, DR images were recorded with an EMCCD camera at 620 and 575 nm. We have observed that using the DR image intensity ratio R620/R575 mild inflammatory tissues could be discriminated from healthy with a sensitivity of 92% and specificity of 93%, and from moderate with a sensitivity of 83% and specificity of 96%. The sensitivity and specificity obtained between moderate and severe inflammation are 82% and 76% respectively.

  16. Detection of mercury and other metals in mercury contaminated soils using mid-infrared spectroscopy

    Directory of Open Access Journals (Sweden)

    Sharon R. Jean-Philippe

    2012-09-01

    Full Text Available The Oak Ridge Reservation, established in 1942, was the designated site for the construction of the atomic bomb. During a 20-year period from 1944-1963 radioactive and toxic chemical pollutants, especially mercury compounds were released into the surrounding waterways. Mercury in the soil environment can undergo numerous chemical transformations. Conventional methods for detection of total soil mercury in contaminated environments are based on time-consuming sample preparation and costly sample analysis. The possibility for determination of total soil -Hg concentration and other elements in contaminated soils using the mid-infrared (MIR region (4000 - 600 cm-1 has been investigated. Principal component analysis (PCA was used to identify patterns or differences in soil spectral data and partial least squares (PLS regression was used to develop models for several metals in soil samples. Pearson correlation identified nine elements (Sr, Ni, Cu, Cd, V, Ti, Fe, Ba, Rb and total carbon that were significantly correlated with total soil-Hg. Our calibration models showed high r for Hg, and Sr (r>.90 and relatively moderate r for Cu and Ni (r>.80. Results support the conclusion that mid-infrared spectroscopy could aid conventional method analyses of soils heavily contaminated with certain heavy metals after a robust model is developed.

  17. Spectroscopic detection of health hazardous contaminants in lipstick using Laser Induced Breakdown Spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Gondal, M.A., E-mail: magondal@kfupm.edu.sa [Physics Department and Center of Excellence in Nanotechnology, King Fahd University of Petroleum and Minerals, Dhahran 31261 (Saudi Arabia); Seddigi, Z.S. [Chemistry Department, Umm Al-Qura University, Makkah (Saudi Arabia); Nasr, M.M. [Natural Science Departments, Riyadh College of Dentistry and Pharmacy, P.O. Box 321815, Riyadh 11343 (Saudi Arabia); Gondal, B. [Plastic and Reconstructive Aesthetic Surgery, Whitfield Hospital, Waterford (Ireland)

    2010-03-15

    Laser Induced Breakdown Spectroscopy (LIBS) technique was applied to determine the concentrations of different toxic elements like lead, chromium, cadmium and zinc in four different lipstick brands sold at local markets in Saudi Arabia. These samples contain toxic elements like lead, cadmium and chromium which are carcinogen dermatitis, allergic and eczematous. Their extraction from human body takes over 40 years and accumulation in the body cause problems like disruption of nervous systems and kidney damage. They could trigger to systemic lupus erythematosus (SLE). In order to test the validity of our LIBS results, standard technique like (ICP-AES) was also applied. To the best of our knowledge, this is the first study where LIBS technique was applied for the measurement of toxic substances in lipsticks. The maximum concentration detected in four lipstick brands was much higher than the permissible safe limits for human use and could lead to serious health problems. It is worth mentioning that the lipstick is not a solid rather is in fluid state which is not trivial to analyze using LIBS technique. For this purpose, special treatment of the lipstick samples was necessary to analyze with our LIBS method.

  18. Time resolved spectroscopy of SGR J1550-5418 bursts detected with Fermi/GBM

    CERN Document Server

    Younes, G; van der Horst, A J; Baring, M G; Granot, J; Watts, A L; Bhat, P N; Collazzi, A; Gehrels, N; Gorgone, N; Gogus, E; Gruber, D; Grunblatt, S; Huppenkothen, D; Kaneko, Y; von Kienlin, A; van der Klis, M; Lin, L; Mcenery, J; van Putten, T; Wijers, R A M J

    2014-01-01

    We report on time-resolved spectroscopy of the 63 brightest bursts of SGR J1550-5418, detected with Fermi/Gamma-ray Burst Monitor during its 2008-2009 intense bursting episode. We performed spectral analysis down to 4 ms time-scales, to characterize the spectral evolution of the bursts. Using a Comptonized model, we find that the peak energy, E_peak, anti-correlates with flux, while the low-energy photon index remains constant at -0.8 up to a flux limit F~10^-5 erg s-1 cm-2. Above this flux value the E_peak-flux correlation changes sign, and the index positively correlates with flux reaching 1 at the highest fluxes. Using a two black-body model, we find that the areas and fluxes of the two emitting regions correlate positively. Further, we study here for the first time, the evolution of the temperatures and areas as a function of flux. We find that the area-kT relation follows lines of constant luminosity at the lowest fluxes, R^2 \\propto kT^-4, with a break at higher fluxes ($F>10^-5.5 erg s-1 cm-2). The are...

  19. Electrical impedance spectroscopy for cure monitoring and damage detection in model adaptive components

    Energy Technology Data Exchange (ETDEWEB)

    Nixdorf, K.; Busse, G. [Stuttgart Univ. (Germany). Inst. fuer Kunststoffpruefung und Kunststoffkunde

    1998-10-01

    The integrated piezoelectric ceramics imbedded in adaptive structures can be used as sensors for nondestructive testing. The impedance spectroscopy of the ceramic is proposed as a vibration technique that allows force excitation and frequency response measurement with one single sensor. Resonance frequencies of the component can be distinguished at a good signal-to-noise ratio by the response of the phase angle of the electrical impedance. The sensitive frequency range for vibration applications depends on the damping and the stiffness of the material near the piezoceramic. Low frequencies (about 1 kHz) are suited for monitoring the liquid-solid transition of adhesives, whereas frequencies above 50 kHz are used for damage detection in stiff bondings. The cure of an adhesive that bonds a piezo bender to a carbon fibre reinforced bar is monitored by the increase of stiffness and resonance frequency of the structure. The adhesive layer is damaged under bending load which results in a decrease of the resonance frequency of some higher modes. The present work describes the first steps to use impedance data for the non destructive testing of adaptive components. (orig.)

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

    Science.gov (United States)

    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.

  1. Detection of Melanoma Cancer Biomarker Dimethyl Disulfide Using Cavity Ringdown Spectroscopy at 266 nm.

    Science.gov (United States)

    Wang, Zhennan; Sun, Meixiu; Wang, Chuji

    2016-06-01

    Skin cells emit volatile organic compounds (VOCs), and some of them can be used as biomarkers for screening specific diseases. Dimethyl disulfide (DMDS) has been recently reported as a biomarker of melanoma skin cancer (Kwak et al. "Volatile Biomarkers from Human Melanoma Cells". J. Chromatogr. B. 2013. 931: 90-96.). With the motivation of diagnosing melanoma using DMDS as its biomarker, we explore the potential of measuring DMDS using an advanced laser spectroscopic technique as an alternative method. We report on the first DMDS measurements using an experimental system based on cavity ringdown spectroscopy (CRDS). The test samples were mixtures of DMDS vapor and nitrogen in different concentrations. Two sampling methods were investigated to dilute the DMDS sample to low concentrations for ringdown measurements. The results showed that the ringdown system responded to various DMDS concentrations linearly and a theoretical detection limit of sub-ppb (parts per billion) could be achieved at the absorption wavelength of 266 nm. This ringdown system exhibited a high dynamic range for DMDS measurements, from ppm (parts per million) to ppt (parts per trillion) levels, given different laser wavelengths used. The feasibility of developing a portable melanoma screening sensor using the CRDS technique was also demonstrated in this study. PMID:27076515

  2. Hollow-core fiber based linear cavity ring-down spectroscopy for gaseous oxygen detection

    Science.gov (United States)

    Munzke, Dorit; Böhm, Michael; Reich, Oliver

    2014-05-01

    We present a spectroscopic technique that combines the benefits of cavity ring-down spectroscopy and a hollowcore photonic crystal fiber. The 10m fiber is placed inside an optical cavity and acts both as the sample cell (volume = 442 nL) and as a waveguide. Due to the high reflectivity of the cavity mirrors and rather small coupling losses, the effective optical path length can be increased up to 70m. Therefore, as a figure of merit the volume per optical interaction path length is calculated to 6.3 nL m-1. Oxygen detection is performed at 760 nm while scanning across an absorption line. The optical loss due to sample absorption is determined by measuring the ring-down time of light traveling inside the cavity. Results are compared to HITRAN database showing a discrepancy of only 2.5% of the absorption coefficient. This method is of interest for applications that require sensitive measurements on sample volumes of few nanoliters to microliters without the need of calibration.

  3. Towards Single-Shot Detection of Bacterial Endospores via Coherent Raman Spectroscopy

    Science.gov (United States)

    Pestov, Dmitry; Wang, Xi; Ariunbold, Gombojav; Murawski, Robert; Sautenkov, Vladimir; Sokolov, Alexei; Scully, Marlan

    2007-10-01

    Recent advances in coherent anti-Stokes Raman scattering (CARS) spectroscopy hold exciting promise to make the most out of now readily available ultrafast laser sources. Techniques have been devised to mitigate the nonresonant four-wave-mixing in favor of informative Raman-resonant signal. In particular, a hybrid technique for CARS (see Science 316, 265 (2007)) brings together the advantages of coherent broadband pump-Stokes excitation of molecular vibrations and their time-delayed but frequency-resolved probing via a spectrally narrowed and shaped laser pulse. We apply this technique to the problem of real-time detection of warfare bioagents and report single-shot acquisition of a distinct CARS spectrum from a small volume of B. subtilis endospores (˜10^4 spores), a harmless surrogate for B. anthracis. We study the dependence of the CARS signal on the energy of the ultrashort preparation pulses and find the limit on the pulse energy fluence (˜0.2 J/cm^2), imposed by the laser-induced damage of the spores.

  4. Detecting viability transitions of umbilical cord mesenchymal stem cells by Raman micro-spectroscopy

    International Nuclear Information System (INIS)

    Recent research suggests that human umbilical cord derived mesenchymal stem cells (hUC-MSCs) can be promising candidates for cell-based therapy. Since large population and high viability are generally required, detecting viability transitions of these cells is crucial for their population expansion and quality control. Here, as a non-invasive method, Raman micro-spectroscopy is applied to examine hUC-MSCs with different viability. Using peak fitting and statistic t-test, the Raman peaks with obvious differences between the cells with high viability (> 90%) and low viability (-1, symmetric stretching of C–C in lipids at 877 cm-1 and CH deformation in proteins at 1342 cm-1 show the most significant changes (p < 0.001). When the cell viability decreases, the intensities of the former two peaks are both about doubled while that of the latter peak reduces by about 30%. Based on these results, we propose that the viability of hUC-MSCs can be characterized by these three peaks. And their intensity changes can be understood from the model of excessive reactive oxygen species interacting with the bio-macromolecules

  5. Spectroscopic detection of health hazardous contaminants in lipstick using Laser Induced Breakdown Spectroscopy.

    Science.gov (United States)

    Gondal, M A; Seddigi, Z S; Nasr, M M; Gondal, B

    2010-03-15

    Laser Induced Breakdown Spectroscopy (LIBS) technique was applied to determine the concentrations of different toxic elements like lead, chromium, cadmium and zinc in four different lipstick brands sold at local markets in Saudi Arabia. These samples contain toxic elements like lead, cadmium and chromium which are carcinogen dermatitis, allergic and eczematous. Their extraction from human body takes over 40 years and accumulation in the body cause problems like disruption of nervous systems and kidney damage. They could trigger to systemic lupus erythematosus (SLE). In order to test the validity of our LIBS results, standard technique like (ICP-AES) was also applied. To the best of our knowledge, this is the first study where LIBS technique was applied for the measurement of toxic substances in lipsticks. The maximum concentration detected in four lipstick brands was much higher than the permissible safe limits for human use and could lead to serious health problems. It is worth mentioning that the lipstick is not a solid rather is in fluid state which is not trivial to analyze using LIBS technique. For this purpose, special treatment of the lipstick samples was necessary to analyze with our LIBS method. PMID:19926220

  6. Application of near-infrared spectroscopy with fiber optics for detecting interior quality in peaches

    Science.gov (United States)

    Liu, Yande; Ying, Yibin; Chen, Zhongming; Fu, Xiaping

    2004-03-01

    Fourier transform near infrared (FT-NIR) spectroscopy was tested as a non-destructive method to assess the sugar content (SC) and the valid acidity of intact peaches. Calibration models were created from spectral and constituent measurements. Data recorded from two sides of individual peach served as the calibration and the validation sets. Partial least squares (PLS) technique used to develop the prediction models by different data preprocessing. The best model for SC had a high correlation efficient (0.956), a low SEP (0.532), a low SEC (0.542), a SDR value of 3.34(>3.00), and also a small difference between SEP and SEC. The best model for valid acidity had a high correlation coefficient (0.948), a relatively low SEP (0.129), a relatively low SEC (0.124) and a SDR value of 2.68 (<3.00), and also a small difference between SEC and SEP. The results of this study suggest that FT-NIR method can be feasible to detect sugar content rapidly. However, the low acid content in the fruit might have caused the relative insensitivity for prediction valid acidity. Further work is required to optimize and implement this technique.

  7. Spectroscopic detection of health hazardous contaminants in lipstick using Laser Induced Breakdown Spectroscopy

    International Nuclear Information System (INIS)

    Laser Induced Breakdown Spectroscopy (LIBS) technique was applied to determine the concentrations of different toxic elements like lead, chromium, cadmium and zinc in four different lipstick brands sold at local markets in Saudi Arabia. These samples contain toxic elements like lead, cadmium and chromium which are carcinogen dermatitis, allergic and eczematous. Their extraction from human body takes over 40 years and accumulation in the body cause problems like disruption of nervous systems and kidney damage. They could trigger to systemic lupus erythematosus (SLE). In order to test the validity of our LIBS results, standard technique like (ICP-AES) was also applied. To the best of our knowledge, this is the first study where LIBS technique was applied for the measurement of toxic substances in lipsticks. The maximum concentration detected in four lipstick brands was much higher than the permissible safe limits for human use and could lead to serious health problems. It is worth mentioning that the lipstick is not a solid rather is in fluid state which is not trivial to analyze using LIBS technique. For this purpose, special treatment of the lipstick samples was necessary to analyze with our LIBS method.

  8. Calcium detection of human hair and nail by the nanosecond time-gated spectroscopy of laser-ablation plume

    Science.gov (United States)

    Haruna, Masamitsu; Ohmi, Masato; Nakamura, Mitsuo; Morimoto, Shigeto

    2000-04-01

    We demonstrate the nanosecond time-gated spectroscopy of plume in laser ablation of biological tissue, which allows us to detect calcium (Ca) with high sensitivity by the use of either a UV or a near-IR laser pulse. Clear and sharp peaks of Ca+ appear in the luminescence spectrum of laser-ablation plume although the Ca content is only 0.1 percent in human hair and nail. Luminescence peaks of sodium atom (Na) and ionized carbon are also detectable. This specific spectroscopy is low invasive because a single low-energy laser pulse illuminates the tissue sample, and it does not require any poisonous sensititizers like fluorescence dye. This method, therefore, is a promising candidate for optical biopsy in the near future. In particular, Ca detection of human hair may lead to new diagnosis, including monitor of daily intake of Ca and a screening diagnosis of osteoporosis.

  9. Detection and mapping of trace explosives on surfaces under ambient conditions using multiphoton electron extraction spectroscopy (MEES).

    Science.gov (United States)

    Tang, Shisong; Vinerot, Nataly; Fisher, Danny; Bulatov, Valery; Yavetz-Chen, Yehuda; Schechter, Israel

    2016-08-01

    Multiphoton electron extraction spectroscopy (MEES) is an analytical method in which UV laser pulses are utilized for extracting electrons from solid surfaces in multiphoton processes under ambient conditions. Counting the emitted electrons as a function of laser wavelength results in detailed spectral features, which can be used for material identification. The method has been applied to detection of trace explosives on a variety of surfaces. Detection was possible on dusty swabs spiked with explosives and also in the standard dry-transfer contamination procedure. Plastic explosives could also be detected. The analytical limits of detection (LODs) are in the sub pmole range, which indicates that MEES is one of the most sensitive detection methods for solid surface under ambient conditions. Scanning the surface with the laser allows for its imaging, such that explosives (as well as other materials) can be located. The imaging mode is also useful in forensic applications, such as detection of explosives in human fingerprints. PMID:27216679

  10. Optical properties of human radicular dentin: ATR-FTIR characterization and dentine tubule direction influence on radicular post adhesion

    Science.gov (United States)

    Quinto, Jose; Zamataro, Claudia B.; Benetti, Carolina; Dias, Derly A.; Blay, Alberto; Zezell, Denise Maria

    2015-06-01

    Knowledge of dental structures is essential for understanding of laser interaction and its consequences during adhesion processes. Tubule density in dentin ranges from 4.900 to 90.000 per mm2, for diameters from 1 to 3 μm. Light propagation inside the tubules is associated with tubules orientation. To the best of our knowledge, there is no previous work in literature characterizing physical-chemical alterations in dentin. The dentin samples were irradiated with a Er,Cr:YSGG Laser at wavelength 2.78 μm, with an energy density of 9.46 J/cm2 , above the ablation threshold. ATRFTIR at wavenumbers 2000 to 700 cm-1 was used to evaluate the differences among third root region and tubules orientation.

  11. Medizinische Anwendungen von ATR-FTIR-Spektroskopie zur reagenzienfreien und quantitativen Analyse von Körperflüssigkeiten

    OpenAIRE

    Roth, Andreas

    2013-01-01

    Die vorliegende Arbeit befasst sich mit der Entwicklung einer spektroskopischen Methode für die medizinische Diagnostik und zielt auf die Einführung neuer analytischer Methoden in die klinische Praxis, die eine höhere Qualität bei der Behandlung von Patienten sowie eine Kostensenkung versprechen. Es wird eine reagenzienfreie infrarotspektroskopische Messmethode vorgestellt, mit der die Konzentrationen bestimmter Inhaltsstoffe von Körper- und anderen Flüssigkeiten quantitativ bestimmt werden k...

  12. Raman Spectroscopy an Option for the Early Detection of Citrus Huanglongbing.

    Science.gov (United States)

    Pérez, Moisés Roberto Vallejo; Mendoza, María Guadalupe Galindo; Elías, Miguel Ghebre Ramírez; González, Francisco Javier; Contreras, Hugo Ricardo Navarro; Servín, Carlos Contreras

    2016-05-01

    This research describes the application of portable field Raman spectroscopy combined with a statistical analysis of the resulting spectra, employing principal component analysis (PCA) and linear discriminant analysis (LDA), in which we determine that this method provides a high degree of reliability in the early detection of Huanglongbing (HLB) on Sweet Orange, disease caused by the bacteria Candidatus Liberibacter asiaticus. Symptomatic and asymptomatic plant samples of Sweet Orange (Citrus sinensis), Persian Lime (C. latifolia), and Mexican Lime (C. aurantifolia) trees were collected from several municipalities, three at Colima State and three at Jalisco State (HLB presence). In addition, Sweet Orange samples were taken from two other Mexican municipalities, one at San Luis Potosí and the other at Veracruz (HLB absent). All samples were analyzed by real-time PCR to determine its phytosanitary condition, and its spectral signatures were obtained with an ID-Raman mini. Spectral anomalies in orange trees HLB-positive, were identified in bands related to carbohydrates (905 cm(-1), 1043 cm(-1), 1127 cm(-1), 1208 cm(-1), 1370 cm(-1), 1272 cm(-1), 1340 cm(-1), and 1260-1280 cm(-1)), amino acids, proteins (815 cm(-1), 830 cm(-1), 852 cm(-1), 918 cm(-1), 926 cm(-1), 970 cm(-1), 1002 cm(-1), 1053 cm(-1), and 1446 cm(-1)), and lipids (1734 cm(-1), 1736 cm(-1), 1738 cm(-1), 1745 cm(-1), and 1746 cm(-1)). Moreover, PCA-LDA showed a sensitivity of 86.9 % (percentage of positives, which are correctly identified), a specificity of 91.4 % (percentage of negatives, which are correctly identified), and a precision of 89.2 % (the proportion of all tests that are correct) in discriminating between orange plants HLB-positive and healthy plants. The Raman spectroscopy technique permitted rapid diagnoses, was low-cost, simple, and practical to administer, and produced immediate results. These are essential features for phytosanitary

  13. Time-Resolved Spectroscopy and Near Infrared Imaging for Prostate Cancer Detection: Receptor-targeted and Native Biomarker

    Science.gov (United States)

    Pu, Yang

    Optical spectroscopy and imaging using near-infrared (NIR) light provides powerful tools for non-invasive detection of cancer in tissue. Optical techniques are capable of quantitative reconstructions maps of tissue absorption and scattering properties, thus can map in vivo the differences in the content of certain marker chromophores and/or fluorophores in normal and cancerous tissues (for example: water, tryptophan, collagen and NADH contents). Potential clinical applications of optical spectroscopy and imaging include functional tumor detection and photothermal therapeutics. Optical spectroscopy and imaging apply contrasts from intrinsic tissue chromophores such as water, collagen and NADH, and extrinsic optical contrast agents such as Indocyanine Green (ICG) to distinguish disease tissue from the normal one. Fluorescence spectroscopy and imaging also gives high sensitivity and specificity for biomedical diagnosis. Recent developments on specific-targeting fluorophores such as small receptor-targeted dye-peptide conjugate contrast agent offer high contrast between normal and cancerous tissues hence provide promising future for early tumour detection. This thesis focus on a study to distinguish the cancerous prostate tissue from the normal prostate tissues with enhancement of specific receptor-targeted prostate cancer contrast agents using optical spectroscopy and imaging techniques. The scattering and absorption coefficients, and anisotropy factor of cancerous and normal prostate tissues were investigated first as the basis for the biomedical diagnostic and optical imaging. Understanding the receptors over-expressed prostate cancer cells and molecular target mechanism of ligand, two small ICG-derivative dye-peptides, namely Cypate-Bombesin Peptide Analogue Conjugate (Cybesin) and Cypate-Octreotate Peptide Conjugate (Cytate), were applied to study their clinical potential for human prostate cancer detection. In this work, the steady-state and time

  14. Plasmonic antennas and zero mode waveguides to enhance single molecule fluorescence detection and fluorescence correlation spectroscopy towards physiological concentrations

    CERN Document Server

    Punj, Deep; Moparthi, Satish Babu; de Torres, Juan; Grigoriev, Victor; Rigneault, Hervé; Wenger, Jérôme

    2014-01-01

    Single-molecule approaches to biology offer a powerful new vision to elucidate the mechanisms that underpin the functioning of living cells. However, conventional optical single molecule spectroscopy techniques such as F\\"orster fluorescence resonance energy transfer (FRET) or fluorescence correlation spectroscopy (FCS) are limited by diffraction to the nanomolar concentration range, far below the physiological micromolar concentration range where most biological reaction occur. To breach the diffraction limit, zero mode waveguides and plasmonic antennas exploit the surface plasmon resonances to confine and enhance light down to the nanometre scale. The ability of plasmonics to achieve extreme light concentration unlocks an enormous potential to enhance fluorescence detection, FRET and FCS. Single molecule spectroscopy techniques greatly benefit from zero mode waveguides and plasmonic antennas to enter a new dimension of molecular concentration reaching physiological conditions. The application of nano-optics...

  15. Spectroscopy detection of green and red fluorescent proteins in genetically modified plants using a fiber optics system

    Science.gov (United States)

    Liew, Oi Wah; Asundi, Anand K.; Chen, Jun-Wei; Chew, Yiwen; Yu, Shangjuan; Yeo, Gare H.

    2001-05-01

    In this paper, fiber optic spectroscopy is developed to detect and quantify recombinant green (EGFP) and red (DsRED) fluorescent proteins in vitro and in vivo. The bacterial expression vectors carrying the coding regions of EGFP and DsRED were introduced 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 serially diluted for quantitative analysis by fiber optic spectroscopy. Fluorescence at the appropriate emission wavelengths could be detected up to 64X dilution for EGFP and 40X dilution for DsRED. To determine the capability of spectroscopy detection in vivo, transgenic potato hairy roots expressing EGFP and DsRED were regenerated. This was achieved by cloning the EGFP and DsRED genes into the plant binary vector, pTMV35S, to create the recombinant vectors pGLOWGreen and pGLOWRed. These latter binary vectors were introduced into Agrobacterium rhizogenes strain A4T. Infection of potato cells with transformed agrobacteria was used to insert the fluorescent protein genes into the potato genome. Genetically modified potato cells were then regenerated into hairy roots. A panel of transformed hairy roots expressing varying levels of fluorescent proteins was selected by fluorescence microscopy. We are now assessing the capability of spectroscopic detection system for in vivo quantification of green and red fluorescence levels in transformed roots.

  16. Nanoparticle detection in aqueous solutions using Raman and Laser Induced Breakdown Spectroscopy

    NARCIS (Netherlands)

    Sovago, M.; Buis, E.-J.; Sandtke, M.

    2013-01-01

    We show the chemical identification and quantification of the concentration and size of nanoparticle (NP) dispersions in aqueous solutions by using a combination of Raman Spectroscopy and Laser Induced Breakdown Spectroscopy (LIBS). The two spectroscopic techniques are applied to demonstrate the NP

  17. Challenging Near InfraRed Spectroscopy discriminating ability for counterfeit pharmaceuticals detection

    Energy Technology Data Exchange (ETDEWEB)

    Storme-Paris, I. [Groupe de Chimie Analytique de Paris-Sud, EA 4041, IFR 141, School of Pharmacy, Univ Paris-Sud, 5 rue Jean Baptiste Clement, 92296 Chatenay-Malabry (France); Rebiere, H. [Laboratories and Control Department, French Health Products Safety Agency (AFSSAPS), 635 rue de la Garenne, 34740 Vendargues (France); Matoga, M. [Groupe de Chimie Analytique de Paris-Sud, EA 4041, IFR 141, School of Pharmacy, Univ Paris-Sud, 5 rue Jean Baptiste Clement, 92296 Chatenay-Malabry (France); Civade, C.; Bonnet, P.-A.; Tissier, M.H. [Laboratories and Control Department, French Health Products Safety Agency (AFSSAPS), 635 rue de la Garenne, 34740 Vendargues (France); Chaminade, P., E-mail: pierre.chaminade@u-psud.fr [Groupe de Chimie Analytique de Paris-Sud, EA 4041, IFR 141, School of Pharmacy, Univ Paris-Sud, 5 rue Jean Baptiste Clement, 92296 Chatenay-Malabry (France)

    2010-01-25

    This study was initiated by the laboratories and control department of the French Health Products Safety Agency (AFSSAPS) as part of the fight against the public health problem of rising counterfeit and imitation medicines. To test the discriminating ability of Near InfraRed Spectroscopy (NIRS), worse cases scenarios were first considered for the discrimination of various pharmaceutical final products containing the same Active Pharmaceutical Ingredient (API) with different excipients, such as generics of proprietary medicinal products (PMP). Two generic databases were explored: low active strength hard capsules of Fluoxetine and high strength tablets of Ciprofloxacin. Then 4 other cases involving suspicious samples, counterfeits and imitations products were treated. In all these cases, spectral differences between samples were studied, giving access to API or excipient contents information, and eventually allowing manufacturing site identification. A chemometric background is developed to explain the optimisation methodology, consisting in the choices of appropriate pretreatments, algorithms for data exploratory analyses (unsupervised Principal Component Analysis), and data classification (supervised cluster analysis, and Soft Independent Modelling of Class Analogy). Results demonstrate the high performance of NIRS, highlighting slight differences in formulations, such as 2.5% (w/w) in API strength, 1.0% (w/w) in excipient and even coating variations (<1%, w/w) with identical contents, approaching the theoretical limits of NIRS sensitivity. All the different generic formulations were correctly discriminated and foreign PMP, constituted of formulations slightly different from the calibration ones, were also all discriminated. This publication addresses the ability of NIRS to detect counterfeits and imitations and presents the NIRS as an ideal tool to master the global threat of counterfeit drugs.

  18. An Approach for Routine Analytical Detection of Beeswax Adulteration Using FTIR-ATR Spectroscopy

    Directory of Open Access Journals (Sweden)

    Svečnjak Lidija

    2015-12-01

    Full Text Available Although beeswax adulteration represents one of the main beeswax quality issues, there are still no internationally standardised analytical methods for routine quality control. The objective of this study was to establish an analytical procedure suitable for routine detection of beeswax adulteration using FTIR-ATR spectroscopy. For the purpose of this study, reference IR spectra of virgin beeswax, paraffin, and their mixtures containing different proportions of paraffin (5 - 95%, were obtained. Mixtures were used for the establishment of calibration curves. To determine the prediction strength of IR spectral data for the share of paraffin in mixtures, the Partial Least Squares Regression method was used. The same procedure was conducted on beeswax-beef tallow mixtures. The model was validated using comb foundation samples of an unknown chemical background which had been collected from the international market (n = 56. Selected physico-chemical parameters were determined for comparison purposes. Results revealed a strong predictive power (R2 = 0.999 of IR spectra for the paraffin and beef tallow share in beeswax. The results also revealed that the majority of the analysed samples (89% were adulterated with paraffin; only 6 out of 56 (11% samples were identified as virgin beeswax, 28% of the samples exhibited a higher level of paraffin adulteration (>46% of paraffin, while the majority of the analysed samples (50% were found to be adulterated with 5 - 20% of paraffin. These results indicate an urgent need for routine beeswax authenticity control. In this study, we demonstrated that the analytical approach defining the standard curves for particular adulteration levels in beeswax, based on chemometric modelling of specific IR spectral region indicative for adulteration, enables reliable determination of the adulterant proportions in beeswax.

  19. Challenging Near InfraRed Spectroscopy discriminating ability for counterfeit pharmaceuticals detection

    International Nuclear Information System (INIS)

    This study was initiated by the laboratories and control department of the French Health Products Safety Agency (AFSSAPS) as part of the fight against the public health problem of rising counterfeit and imitation medicines. To test the discriminating ability of Near InfraRed Spectroscopy (NIRS), worse cases scenarios were first considered for the discrimination of various pharmaceutical final products containing the same Active Pharmaceutical Ingredient (API) with different excipients, such as generics of proprietary medicinal products (PMP). Two generic databases were explored: low active strength hard capsules of Fluoxetine and high strength tablets of Ciprofloxacin. Then 4 other cases involving suspicious samples, counterfeits and imitations products were treated. In all these cases, spectral differences between samples were studied, giving access to API or excipient contents information, and eventually allowing manufacturing site identification. A chemometric background is developed to explain the optimisation methodology, consisting in the choices of appropriate pretreatments, algorithms for data exploratory analyses (unsupervised Principal Component Analysis), and data classification (supervised cluster analysis, and Soft Independent Modelling of Class Analogy). Results demonstrate the high performance of NIRS, highlighting slight differences in formulations, such as 2.5% (w/w) in API strength, 1.0% (w/w) in excipient and even coating variations (<1%, w/w) with identical contents, approaching the theoretical limits of NIRS sensitivity. All the different generic formulations were correctly discriminated and foreign PMP, constituted of formulations slightly different from the calibration ones, were also all discriminated. This publication addresses the ability of NIRS to detect counterfeits and imitations and presents the NIRS as an ideal tool to master the global threat of counterfeit drugs.

  20. Detection of advanced glycation end products (AGEs) on human skin by in vivo confocal Raman spectroscopy

    Science.gov (United States)

    Martin, A. A.; Pereira, L.; Ali, S. M.; Pizzol, C. D.; Tellez, C. A.; Favero, P. P.; Santos, L.; da Silva, V. V.; Praes, C. E. O.

    2016-03-01

    The aging process involves the reduction in the production of the major components of skin tissue. During intrinsic aging and photoaging processes, in dermis of human skin, fibroblasts become senescent and have decreased activity, which produce low levels of collagen. Moreover, there is accumulation of advanced glycation end products (AGEs). AGEs have incidence in the progression of age-related diseases, principally in diabetes mellitus and in Alzheimer's diseases. AGEs causes intracellular damage and/or apoptosis leading to an increase of the free radicals, generating a crosslink with skin proteins and oxidative stress. The aim of this study is to detect AGEs markers on human skin by in vivo Confocal Raman spectroscopy. Spectra were obtained by using a Rivers Diagnostic System, 785 nm laser excitation and a CCD detector from the skin surface down to 120 μm depth. We analyzed the confocal Raman spectra of the skin dermis of 30 women volunteers divided into 3 groups: 10 volunteers with diabetes mellitus type II, 65-80 years old (DEW); 10 young healthy women, 20-33 years old (HYW); and 10 elderly healthy women, 65-80 years old (HEW). Pentosidine and glucosepane were the principally identified AGEs in the hydroxyproline and proline Raman spectral region (1000-800 cm-1), in the 1.260-1.320 cm-1 region assignable to alpha-helical amide III modes, and in the Amide I region. Pentosidine and glucosepane calculated vibrational spectra were performed through Density Functional Theory using the B3LYP functional with 3-21G basis set. Difference between the Raman spectra of diabetic elderly women and healthy young women, and between healthy elderly women and healthy young women were also obtained with the purpose of identifying AGEs Raman bands markers. AGEs peaks and collagen changes have been identified and used to quantify the glycation process in human skin.

  1. Near infrared spectroscopy for counterfeit detection using a large database of pharmaceutical tablets.

    Science.gov (United States)

    Dégardin, Klara; Guillemain, Aurélie; Guerreiro, Nicole Viegas; Roggo, Yves

    2016-09-01

    Medicine counterfeiting is one of the current burdens of the pharmaceutical world. Reliable technologies have become available for the chemical analysis of suspect medicines. Near infrared spectroscopy (NIRS) allows for instance fast, specific and non-destructive authentication of pharmaceutical products. In this paper, a NIRS method is presented for the identification of 29 different pharmaceutical product families of tablets, one family containing one or more formulation (s), e.g. different dosages. This selection represents the whole tablet portfolio of our firm. The high number of product families constituted a challenge, given that the measurement of the samples, made on two similar instruments, generated a dataset of 7120 spectra. Several chemometric tools proved efficient for the identification of these medicines. The dataset was first investigated with a Principal Component Analysis (PCA) in order to provide an overview of the distribution of the samples. The K-Nearest Neighbors (KNN), the Support Vector Machines (SVM) and the Discriminant Analysis (DA) supervised classification tools were successfully applied and generated an outstanding classification rate of 100% of correct answer. The methods were then fully validated with an independent set of spectra. The DA was selected as the method for the routine analysis of suspect tablets with the Mahalanobis distance as acceptance criterion for identification. Counterfeits, generics and placebos samples, constituting a second validation set, were tested and rejected by the method. NIRS has thus been demonstrated as an efficient tool for the quick identification of a large dataset of pharmaceutical tablets and the detection of counterfeit medicines. PMID:27236101

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

    Science.gov (United States)

    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. Nondestructive detection of pork quality based on dual-band VIS/NIR spectroscopy

    Science.gov (United States)

    Wang, Wenxiu; Peng, Yankun; Li, Yongyu; Tang, Xiuying; Liu, Yuanyuan

    2015-05-01

    With the continuous development of living standards and the relative change of dietary structure, consumers' rising and persistent demand for better quality of meat is emphasized. Colour, pH value, and cooking loss are important quality attributes when evaluating meat. To realize nondestructive detection of multi-parameter of meat quality simultaneously is popular in production and processing of meat and meat products. The objectives of this research were to compare the effectiveness of two bands for rapid nondestructive and simultaneous detection of pork quality attributes. Reflectance spectra of 60 chilled pork samples were collected from a dual-band visible/near-infrared spectroscopy system which covered 350-1100 nm and 1000-2600 nm. Then colour, pH value and cooking loss were determined by standard methods as reference values. Standard normal variables transform (SNVT) was employed to eliminate the spectral noise. A spectrum connection method was put forward for effective integration of the dual-band spectrum to make full use of the whole efficient information. Partial least squares regression (PLSR) and Principal component analysis (PCA) were applied to establish prediction models using based on single-band spectrum and dual-band spectrum, respectively. The experimental results showed that the PLSR model based on dual-band spectral information was superior to the models based on single band spectral information with lower root means quare error (RMSE) and higher accuracy. The PLSR model based on dual-band (use the overlapping part of first band) yielded the best prediction result with correlation coefficient of validation (Rv) of 0.9469, 0.9495, 0.9180, 0.9054 and 0.8789 for L*, a*, b*, pH value and cooking loss, respectively. This mainly because dual-band spectrum can provide sufficient and comprehensive information which reflected the quality attributes. Data fusion from dual-band spectrum could significantly improve pork quality parameters prediction

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

    International Nuclear Information System (INIS)

    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

  5. Progress in Study of Biomacromolecular Damages by Infrared Spectroscopy%红外光谱法检测生物大分子损伤的研究进展

    Institute of Scientific and Technical Information of China (English)

    李莉莉; 赵丽娇; 钟儒刚

    2011-01-01

    红外光谱技术由于其灵敏度高和对样品的非破坏性等优点已成为研究生物大分子损伤的重要工具.蛋白质、脂质和核酸等受到损伤时,其红外光谱特征吸收峰的峰位、峰型和峰强会发生变化,这为检测生物大分子损伤并进一步揭示相关疾病的发生、发展及早期预防提供了依据.还综述了近年来使用红外光谱法检测生物大分子损伤的研究进展,介绍了利用傅里叶变换红外光谱、衰减全反射傅里叶变换红外光谱和傅里叶红外显微等技术在蛋白质二级结构、膜脂流动性和离子通透性以及药物对DNA的作用机制等领域的应用,以及相关的定性和定量分析方法进行了评述,提出了月前红外光谱分析技术中存在的问题,并对今后红外光谱在生物医学领域中的应用前景作了展望,指出疾病早期诊断、红外光谱联用以及定量分析技术等将成为红外光谱领域未来的研究热点.%Infrared spectroscopy (IR) is employed as an important tool in the investigation of biological macromolecules because of its high sensitivity and nondestructivity to samples. When proteins, lipids or nucleic acids are damaged, the position, shape and intensity of their IR characteristic absorption peaks will be significantly changed. This provides evidences for the determination of the damages of biomolecules, which further shed light on the clarification of the occurrence, development and early prevention of some diseases. In the present paper, the applications of IR to the detection of biomolecular damages are reviewed. Various IR techniques are introduced, including Fourier transform infrared spectroscopy (FTIR), attenuated total reflection Fourier transform infrared spectroscopy (ATR-FTIR), Fourier transform infrared spectroscopy microscope and so on. A general review was performed for the application of IR technique to the qualitative and quantitative analysis of secondary structure of

  6. The use of ESR spectroscopy for the detection of irradiated mechanically recovered meat (MRM) in tertiary food products

    International Nuclear Information System (INIS)

    The use of electron spin resonance (ESR) spectroscopy as a detection method for irradiated food has been well documented in recent years, the research dealing mainly with primary products such as chicken, shellfish and fruit. An example of how the technique can be applied to processed food products was demonstrated when ESR spectroscopy was used to differentiate between samples of commercially irradiated and non-irradiated mechanically recovered turkey meat (MRM). The latter refers to meat which has been mechanically removed under high pressure from irregularly shaped bones subjected to hand-boning operations. The paste-like product contains small fragments of bone which can be extracted and used for the purposes of ESR spectroscopy provided a sufficient quantity is recovered. On a commercial scale MRM can be incorporated into other food, such as beef burgers, to produce a tertiary product. The aim of this experimental work, carried out simultaneously in Belfast and Strasbourg, was to compare two methods for extracting bone fragments from such tertiary products containing MRM at varying inclusion rates and to determine if ESR spectroscopy could be used to qualitatively detect the presence of small amounts of irradiated MRM. In addition, a number of coded foods containing either non-irradiated MRM were examined in order to establish the feasibility of applying the method to samples, the processing history of which was unknown. (author)

  7. Diffuse-light absorption spectroscopy by fiber optics for detecting and quantifying the adulteration of extra virgin olive oil

    Science.gov (United States)

    Mignani, A. G.; Ciaccheri, L.; Ottevaere, H.; Thienpont, H.; Conte, L.; Marega, M.; Cichelli, A.; Attilio, C.; Cimato, A.

    2010-09-01

    A fiber optic setup for diffuse-light absorption spectroscopy in the wide 400-1700 nm spectral range is experimented for detecting and quantifying the adulteration of extra virgin olive oil caused by lower-grade olive oils. Absorption measurements provide spectral fingerprints of authentic and adulterated oils. A multivariate processing of spectroscopic data is applied for discriminating the type of adulterant and for predicting its fraction.

  8. Line-narrowing spectroscopy in amorphous solids through polarization detection of spectral holes. II. Application to tetraphenylporphine in PMMA

    OpenAIRE

    Dick, Bernhard

    1989-01-01

    Polarization spectroscopy of photochem. produced spectral holes was used to obtain the line-narrowed spectrum of the first electronic transition of meso-tetraphenylporphine (TPP) in a PMMA matrix at 10 K. The spectral holes were burned through irradn. with a pulsed dye laser into the spectral region of several vibronic transitions with overlapping inhomogeneous bands. The corresponding satellite holes were detected in the spectral region of the electronic origin. More than 50 lines were obsd....

  9. Two-color Raman spectroscopy for the simultaneous detection of chemotherapeutics and antioxidative status of human skin

    International Nuclear Information System (INIS)

    Aiming at the development of strategies to prevent the hand-foot-syndrome, we propose to evaluate the amount of chemotherapeutics in the human skin together with carotenoids the latter serving as marker substances for the dermal antioxidative status. This approach is demonstrated by applying two-color Raman spectroscopy at 785 and 532 nm excitation for selective detection of chemotherapeutics and carotenoids, respectively. Porcine ear skin has proven to be suited as a model for corresponding spectroscopic basic in-vitro investigations

  10. Metabolic phenotyping by 1H-NMR spectroscopy to detect lung cancer via a simple blood sample

    OpenAIRE

    Louis,Evelyne; Adriaensens, Peter; MESOTTEN, Liesbet; Thomeer, Michiel; Reekmans, Gunter; Vanhove, Karolien; Vandeurzen, Kurt; Darquennes, Karen

    2013-01-01

    Introduction: Lung cancer is the leading cause of cancer death worldwide. There is an urgent need of effective methods to detect lung cancer. Accumulating evidence shows that the metabolism of cancer cells differs from that of normal cells. Disturbances in biochemical pathways which occur during the development of cancer provoke changes in the metabolic phenotype. Objective: To determine the metabolic phenotype of lung cancer by 1H-NMR spectroscopy. Methods: Fasting venous blood samples of 78...

  11. Optical emission spectroscopy analysis for Ge2Sb2Te5 etching endpoint detection in HBr/He plasma

    Science.gov (United States)

    Li, Juntao; Liu, Bo; Song, Zhitang; Feng, Gaoming; Wu, Guanping; He, Aodong; Yang, Zuoya; Zhu, Nanfei; Xu, Jia; Ren, Jiadong; Feng, Songlin

    In the fabrication of phase change memory devices, HBr/He gas is employed in patterning Ge2Sb2Te5 (GST) because it is damage free to GST sidewall. Accurate and reproducible endpoint detection methods are necessary in this etching process. In-situ optical emission spectroscopy (OES) is collected and analyzed to control the GST etching process due to its non-invasiveness. By analyzing the light emitted from plasma, we report an effective etch endpoint detection method for GST etching process is developed and the results are also confirmed using scanning electron micrographs.

  12. Bioimpedance Spectroscopy for the Detection of Fluid Overload in Chinese Peritoneal Dialysis Patients

    OpenAIRE

    Kwan, Bonnie Ching-Ha; Szeto, Cheuk-Chun; Chow, Kai-Ming; Law, Man-Ching; Cheng, Mei Shan; Leung, Chi-Bon; Pang, Wing-Fai; Kwong, Vickie Wai-Ki; Li, Philip Kam-tao

    2014-01-01

    ♦ Background: Fluid overload probably contributes to the cardiovascular risk of peritoneal dialysis (PD) patients. We studied the relationship between over-hydration as determined by bioimpedance spectroscopy and dialysis adequacy, nutritional status, and arterial stiffness in Chinese PD patients.

  13. Detection of Mycoplasma pneumoniae in simulated and true clinical throat swab specimens by nanorod array-surface-enhanced Raman spectroscopy.

    Directory of Open Access Journals (Sweden)

    Suzanne L Hennigan

    Full Text Available The prokaryote Mycoplasma pneumoniae is a major cause of respiratory disease in humans, accounting for 20% of all community-acquired pneumonia and the leading cause of pneumonia in older children and young adults. The limitations of existing options for mycoplasma diagnosis highlight a critical need for a new detection platform with high sensitivity, specificity, and expediency. Here we evaluated silver nanorod arrays (NA as a biosensing platform for detection and differentiation of M. pneumoniae in culture and in spiked and true clinical throat swab samples by surface-enhanced Raman spectroscopy (SERS. Three M. pneumoniae strains were reproducibly differentiated by NA-SERS with 95%-100% specificity and 94-100% sensitivity, and with a lower detection limit exceeding standard PCR. Analysis of throat swab samples spiked with M. pneumoniae yielded detection in a complex, clinically relevant background with >90% accuracy and high sensitivity. In addition, NA-SERS correctly classified with >97% accuracy, ten true clinical throat swab samples previously established by real-time PCR and culture to be positive or negative for M. pneumoniae. Our findings suggest that the unique biochemical specificity of Raman spectroscopy, combined with reproducible spectral enhancement by silver NA, holds great promise as a superior platform for rapid and sensitive detection and identification of M. pneumoniae, with potential for point-of-care application.

  14. Investigation of Two Novel Approaches for Detection of Sulfate Ion and Methane Dissolved in Sediment Pore Water Using Raman Spectroscopy

    Directory of Open Access Journals (Sweden)

    Zengfeng Du

    2015-05-01

    Full Text Available The levels of dissolved sulfate and methane are crucial indicators in the geochemical analysis of pore water. Compositional analysis of pore water samples obtained from sea trials was conducted using Raman spectroscopy. It was found that the concentration of SO42− in pore water samples decreases as the depth increases, while the expected Raman signal of methane has not been observed. A possible reason for this is that the methane escaped after sampling and the remaining concentration of methane is too low to be detected. To find more effective ways to analyze the composition of pore water, two novel approaches are proposed. One is based on Liquid Core Optical Fiber (LCOF for detection of SO42−. The other one is an enrichment process for the detection of CH4. With the aid of LCOF, the Raman signal of SO42− is found to be enhanced over 10 times compared to that obtained by a conventional Raman setup. The enrichment process is also found to be effective in the investigation to the prepared sample of methane dissolved in water. By CCl4 extraction, methane at a concentration below 1.14 mmol/L has been detected by conventional Raman spectroscopy. All the obtained results suggest that the approach proposed in this paper has great potential to be developed as a sensor for SO42− and CH4 detection in pore water.

  15. Combining optical trapping in a microfluidic channel with simultaneous micro-Raman spectroscopy and motion detection.

    OpenAIRE

    Lawton, P. F.; Saunter, C D; Girkin, J. M.

    2014-01-01

    Since their invention by Ashkin optical tweezers have demonstrated their ability and versatility as a non-invasive tool for micromanipulation. One of the most useful additions to the basic optical tweezers system is micro-Raman spectroscopy, which permits highly sensitive analysis of single cells or particles. We report on the development of a dual laser system combining two spatial light modulators to holographically manipulate multiple traps (at 1064nm) whilst undertaking Raman spectroscopy...

  16. IMAGING SPECTROSCOPY AND LIGHT DETECTION AND RANGING DATA FUSION FOR URBAN FEATURES EXTRACTION

    Directory of Open Access Journals (Sweden)

    Mohammed Idrees

    2013-01-01

    Full Text Available This study presents our findings on the fusion of Imaging Spectroscopy (IS and LiDAR data for urban feature extraction. We carried out necessary preprocessing of the hyperspectral image. Minimum Noise Fraction (MNF transforms was used for ordering hyperspectral bands according to their noise. Thereafter, we employed Optimum Index Factor (OIF to statistically select the three most appropriate bands combination from MNF result. The composite image was classified using unsupervised classification (k-mean algorithm and the accuracy of the classification assessed. Digital Surface Model (DSM and LiDAR intensity were generated from the LiDAR point cloud. The LiDAR intensity was filtered to remove the noise. Hue Saturation Intensity (HSI fusion algorithm was used to fuse the imaging spectroscopy and DSM as well as imaging spectroscopy and filtered intensity. The fusion of imaging spectroscopy and DSM was found to be better than that of imaging spectroscopy and LiDAR intensity quantitatively. The three datasets (imaging spectrocopy, DSM and Lidar intensity fused data were classified into four classes: building, pavement, trees and grass using unsupervised classification and the accuracy of the classification assessed. The result of the study shows that fusion of imaging spectroscopy and LiDAR data improved the visual identification of surface features. Also, the classification accuracy improved from an overall accuracy of 84.6% for the imaging spectroscopy data to 90.2% for the DSM fused data. Similarly, the Kappa Coefficient increased from 0.71 to 0.82. on the other hand, classification of the fused LiDAR intensity and imaging spectroscopy data perform poorly quantitatively with overall accuracy of 27.8% and kappa coefficient of 0.0988.

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

    OpenAIRE

    Derek Craig; Michael Mazilu; Kishan Dholakia

    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 us...

  18. Atomic scale imaging and spectroscopy of individual electron trap states using force detected dynamic tunnelling

    International Nuclear Information System (INIS)

    We report the first atomic scale imaging and spectroscopic measurements of electron trap states in completely non-conducting surfaces by dynamic tunnelling force microscopy/spectroscopy. Single electrons are dynamically shuttled to/from individual states in thick films of hafnium silicate and silicon dioxide. The new method opens up surfaces that are inaccessible to the scanning tunnelling microscope for imaging and spectroscopy on an atomic scale.

  19. Detection of Key Leaf Physiological Traits using Field and Imaging Spectroscopy

    Science.gov (United States)

    Serbin, S. P.; Dillaway, D. N.; Kruger, E. L.; Townsend, P. A.

    2009-12-01

    Fluxes of matter and energy in forest ecosystems are governed not only by canopy structure (i.e., leaf area index), but also by foliar structure and biochemistry. The attributes particularly important with respect to CO2 flux are those determining foliar metabolic capacities and resource-use efficiencies, including specific leaf area, and the concentration and activities of photosynthetic and respiratory enzymes, pigment complexes and electron transport systems. It follows that the biophysical and biochemical characteristics of canopy foliage are important indicators of forest ecosystem patterns and processes. Spectroscopy has been widely utilized to develop non-destructive linkages between the optical properties of vegetation and leaf- and canopy level physiology and structure. In this study, we have developed empirical relationships between leaf spectral optical properties and a suite of leaf physiological traits important to modeling and measuring plant photosynthesis and respiration. To establish our relationships we conducted a glasshouse experiment on aspen and cottonwood trees across a temperature gradient and a range of leaf nitrogen (N) concentrations. We used partial least-squares regression techniques to build the predictive models between leaf spectra and physiological parameters. Our analysis showed that many of the key leaf physiological factors - specific leaf area (SLA, m2 kg-1), V(c)max (μmol m-2 s-1), Jmax (μmol m-2 s-1), Amass (nmol g-1 s-1), and respiration (nmol g-1 s-1) - could be predicted accurately for aspen and cottonwood leaves grown within differing temperature treatments and across a range of leaf nitrogen (N) levels (Fig. 1, shapes show different treatments and point colors show variation in leaf N). With the exception of Jmax, none of the other parameters in Fig 1 were significantly correlated with N across the three treatments suggesting that our predictions are not simply scalars of N concentration. Further testing indicated that

  20. Development of fiber optic spectroscopy for in-vitro and in-planta detection of fluorescent proteins

    Science.gov (United States)

    Liew, Oi Wah; Chen, Jun-Wei; Asundi, Anand K.

    2001-10-01

    The objective of this project is to apply photonics technology to bio-safety management of genetically modified (GM) plants. The conventional method for screening GM plants is through selection using antibiotic resistance markers. There is public concern with such approaches and these are associated with food safety issues, escape of antibiotic resistance genes to pathogenic microorganisms and interference with antibiotic therapy. Thus, the strategy taken in this project is to replace antibiotic resistance markers with fluorescent protein markers that allow for rapid and non-invasive optical screening of genetically modified plants. In this paper, fibre optic spectroscopy was developed to detect and quantify recombinant green (EGFP) and red (DsRED) fluorescent proteins in vitro and in planta. In vitro detection was first carried out to optimize the sensitivity of the optical system. The bacterial expression vectors carrying the coding regions of EGFP and DsRED were introduced 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 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). Fluorescence near the expected emission wavelengths could be detected up to 320X dilution for EGFP and DsRED with blue LED and 532 nm green laser, respectively, as the excitation source. Tungsten halogen was found to be unsuitable for excitation of both EGFP and DsRED. EGFP was successfully purified by size separation under non-denaturing electrophoretic conditions and quantified. The minimum concentration of EGFP detectable with blue LED excitation was 5 mg/ml. To determine the capability of spectroscopy detection in planta, transgenic potato hairy roots and whole modified plant lines expressing the

  1. In-vivo optical detection of cancer using chlorin e6 – polyvinylpyrrolidone induced fluorescence imaging and spectroscopy

    International Nuclear Information System (INIS)

    Photosensitizer based fluorescence imaging and spectroscopy is fast becoming a promising approach for cancer detection. The purpose of this study was to examine the use of the photosensitizer chlorin e6 (Ce6) formulated in polyvinylpyrrolidone (PVP) as a potential exogenous fluorophore for fluorescence imaging and spectroscopic detection of human cancer tissue xenografted in preclinical models as well as in a patient. Fluorescence imaging was performed on MGH human bladder tumor xenografted on both the chick chorioallantoic membrane (CAM) and the murine model using a fluorescence endoscopy imaging system. In addition, fiber optic based fluorescence spectroscopy was performed on tumors and various normal organs in the same mice to validate the macroscopic images. In one patient, fluorescence imaging was performed on angiosarcoma lesions and normal skin in conjunction with fluorescence spectroscopy to validate Ce6-PVP induced fluorescence visual assessment of the lesions. Margins of tumor xenografts in the CAM model were clearly outlined under fluorescence imaging. Ce6-PVP-induced fluorescence imaging yielded a specificity of 83% on the CAM model. In mice, fluorescence intensity of Ce6-PVP was higher in bladder tumor compared to adjacent muscle and normal bladder. Clinical results confirmed that fluorescence imaging clearly captured the fluorescence of Ce6-PVP in angiosarcoma lesions and good correlation was found between fluorescence imaging and spectral measurement in the patient. Combination of Ce6-PVP induced fluorescence imaging and spectroscopy could allow for optical detection and discrimination between cancer and the surrounding normal tissues. Ce6-PVP seems to be a promising fluorophore for fluorescence diagnosis of cancer

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

    Energy Technology Data Exchange (ETDEWEB)

    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

  3. NIR & MIR spectroscopy as an effective tool for detecting urban influences on soils

    Science.gov (United States)

    Brook, Anna; Kopel, Daniella; Wittenberg, Lea

    2016-04-01

    Soil supports ecosystem functions and services, sustains ecosystems and biodiversity, yet in the urban spreading world of today, soil as a resource is in constant danger. Human society takes for granted the services provided by open green patches allocated within and nearby cities, with no consideration of ramifications of urban development on those areas. The urban ecology science recognizes the need to learn, identify and monitor the soils of cities - urban soils. The definitions of those soils are mainly descriptive, since urban soils do not submitted to the pedological process as natural soils. The main objective of this paper is to characterize urban soils in open green undisturbed patches by mineralogical composition. This goal was achieved using field and laboratory spectroscopy across visible near, short wave infrared regions and laboratory thermal mid infrared region. The majority of the studies on urban soils concentrate on identifying and mapping of pollution mostly heavy metals. In this study a top-down analysis (a simple and intuitive spectral feature for detecting the presence of minerals, organic matter and pollutants in mixed soil samples) is applied. This method uses spectral activity (SA) detection in a structured hierarchical approach to quickly and, more importantly, correctly identify dominant spectral features. The applied method is adopted by multiple in-production tools including continuum removal normalization, guided by polynomial generalization, and spectral-likelihood algorithms: orthogonal subspace projection (OSP) and iterative spectral mixture analysis (ISMA) were compared to feature likelihood methods. A total of 70 soil samples were collected at different locations: in remnant area within the city (edge and core), on the borders of the neighborhoods (edge) and in the fringe zone and in 2 locations in the protected park. The park samples were taken in locations found more than 100m from roads or direct anthropogenic disturbances. The

  4. Polydopamine Thin Films as Protein Linker Layer for Sensitive Detection of Interleukin-6 by Surface Plasmon Enhanced Fluorescence Spectroscopy.

    Science.gov (United States)

    Toma, Mana; Tawa, Keiko

    2016-08-31

    Polydopamine (PDA) thin films are introduced to the surface modification of biosensor surfaces utilizing surface plasmon enhanced fluorescence spectroscopy (SPFS) as the linker layer of capture antibody on to the sensor surfaces. The capture antibody can be directly attached to the sensor surface without using any coupling agent by functionalizing the gold sensor surface with PDA thin films. The PDA coating is performed by a single-step preparation process by applying the dopamine solution on the sensor surface, which requires an extremely short incubation time (10 min). The real-time in situ measurement of the adsorption kinetics of the capture antibody onto the PDA-coated sensor surface is studied by surface plasmon resonance (SPR) spectroscopy. It reveals that the immobilization of capture antibody immediately occurs after introduction of a solution containing capture antibody, and the sensor surface is fully covered with the capture antibody. The sensitive detection of the cytokine marker interleukin-6 (IL-6) is performed by SPFS using a sandwich assay format with fluorescently labeled detection antibody. The sensor chips functionalized by PDA chemistry exhibited sensitive sensor responses with low nonspecific adsorption of the detection antibody onto the sensor surface. The detection limit of IL-6 with the developed SPFS biosensor is determined to be 2 pg/mL (100 fM), which is within the range of the diagnostic criteria. Our observation elucidates the remarkable utility of PDA coatings for chemical modification of the metallic sensor surfaces by a simple, brief, and inexpensive manner. PMID:27484114

  5. A novel aptasensor based on single-molecule force spectroscopy for highly sensitive detection of mercury ions.

    Science.gov (United States)

    Li, Qing; Michaelis, Monika; Wei, Gang; Colombi Ciacchi, Lucio

    2015-08-01

    We have developed a novel aptasensor based on single-molecule force spectroscopy (SMFS) capable of detecting mercury ions (Hg(2+)) with sub-nM sensitivity. The single-strand (ss) DNA aptamer used in this work is rich in thymine (T) and readily forms T-Hg(2+)-T complexes in the presence of Hg(2+). The aptamer was conjugated to an atomic force microscope (AFM) probe, and the adhesion force between the probe and a flat graphite surface was measured by single-molecule force spectroscopy (SMFS). The presence of Hg(2+) ions above a concentration threshold corresponding to the affinity constant of the ions for the aptamer (about 5 × 10(9) M(-1)) could be easily detected by a change of the measured adhesion force. With our chosen aptamer, we could reach an Hg(2+) detection limit of 100 pM, which is well below the maximum allowable level of Hg(2+) in drinking water. In addition, this aptasensor presents a very high selectivity for Hg(2+) over other metal cations, such as K(+), Ca(2+), Zn(2+), Fe(2+), and Cd(2+). Furthermore, the effects of the ionic strength and loading rate on the Hg(2+) detection were evaluated. Its simplicity, reproducibility, high selectivity and sensitivity make our SMFS-based aptasensor advantageous with respect to other current Hg(2+) sensing methods. It is expected that our strategy can be exploited for monitoring the pollution of water environments and the safety of potentially contaminated food. PMID:26075518

  6. Comparison of FT-NIR Spectroscopy and ELISA for Detection of Adulteration of Goat Cheeses with Cow's Milk.

    Science.gov (United States)

    Dvorak, Lukas; Mlcek, Jiri; Sustova, Kvetoslava

    2016-01-01

    This study investigated the ability of two methods to detect adulteration of goat cheeses via the addition of cow's milk, with a negligible effect on the raw materials. Cheeses were produced from a mixture of goat's and cow's milk and were then analyzed by Fourier transform near-IR (FT-NIR) spectroscopy and competitive ELISA. The cheese spectra were scanned in the spectroscope in reflectance mode on an integrating sphere at 80 scans and a resolution of 4 cm(-1). The spectra were evaluated via discriminant analysis, and a calibration was created via a partial least-squares algorithm to quantify the cow's milk admixture. A correlation coefficient of R = 0.999 was reached with a standard error of calibration of 0.0407. The results were statistically processed to a median value via a t-test. Adulteration detection by the ELISA method was performed using a commercial Milk Fraud/Bovine ELISA kit. It was found that the FT-NIR spectroscopy method is capable of detecting an admixture of cow's milk in goat cheese as small as 1%. The ELISA method did not return satisfactory results for the detection of adulteration with cow's milk. PMID:26822518

  7. Rapid determination of total trans fat content--an attenuated total reflection infrared spectroscopy international collaborative study.

    Science.gov (United States)

    Mossoba, M M; Adam, M; Lee, T; Bastyr, J

    2001-01-01

    Interest in trans fat labeling has prompted efforts to develop new, more efficient methods for rapidly and accurately determining trans fat content of foods. A novel and rapid (5 min) attenuated total reflection-Fourier transform infrared (ATR-FTIR) spectroscopic procedure was recently developed and applied to food products. This procedure was voted official method AOCS Cd 14d-99 by the American Oil Chemists' Society in 1999 after testing in a 12 laboratory international collaborative study. The results of the study are described in this paper. Analytical ATR-FTIR results exhibited high accuracy in the range 5-40% trans; results tended to have internal reflection method was found to be superior to the precision of transmission infrared official methods. It is recommended that the applicability of the ATR-FTIR method be limited to trans levels of >5% (as percent of total fat). PMID:11501916

  8. Near-infrared Raman spectroscopy to detect anti-Toxoplasma gondii antibodies in blood sera of domestic cats

    Science.gov (United States)

    Duarte, Janaina; Pacheco, Marcos T. T.; Silveira, Landulfo, Jr.; Machado, Rosangela Z.; Martins, Rodrigo A. L.; Zangaro, Renato A.; Villaverde, Antonio G. J. B.

    2001-05-01

    Near-infrared (NIR) Raman spectroscopy has been studied for the last years for many biomedical applications. It is a powerful tool for biological materials analysis. Toxoplasmosis is an important zoonosis in public health, cats being the principal responsible for the transmission of the disease in Brazil. The objective of this work is to investigate a new method of diagnosis of this disease. NIR Raman spectroscopy was used to detect anti Toxoplasma gondii antibodies in blood sera from domestic cats, without sample preparation. In all, six blood serum samples were used for this study. A previous serological test was done by the Indirect Immunoenzymatic Assay (ELISA) to permit a comparative study between both techniques and it showed that three serum samples were positive and the other three were negative to toxoplasmosis. Raman spectra were taken for all the samples and analyzed by using the principal components analysis (PCA). A diagnosis parameter was defined from the analysis of the second and third principal components of the Raman spectra. It was found that this parameter can detect the infection level of the animal. The results have indicated that NIR Raman spectroscopy, associated to the PCA can be a promising technique for serological analysis, such as toxoplasmosis, allowing a fast and sensitive method of diagnosis.

  9. Detection of Taurine in Biological Tissues by 33S NMR Spectroscopy

    Science.gov (United States)

    Musio, Roberta; Sciacovelli, Oronzo

    2001-12-01

    The potential of 33S NMR spectroscopy for biochemical investigations on taurine (2-aminoethanesulfonic acid) is explored. It is demonstrated that 33S NMR spectroscopy allows the selective and unequivocal identification of taurine in biological samples. 33S NMR spectra of homogenated and intact tissues are reported for the first time, together with the spectrum of a living mollusc. Emphasis is placed on the importance of choosing appropriate signal processing methods to improve the quality of the 33S NMR spectra of biological tissues.

  10. Detection of Corn Adulteration in Brazilian Coffee (Coffea arabica) by Tocopherol Profiling and Near-Infrared (NIR) Spectroscopy.

    Science.gov (United States)

    Winkler-Moser, Jill K; Singh, Mukti; Rennick, Kathy A; Bakota, Erica L; Jham, Gulab; Liu, Sean X; Vaughn, Steven F

    2015-12-16

    Coffee is a high-value commodity that is a target for adulteration, leading to loss of quality and causing significant loss to consumers. Therefore, there is significant interest in developing methods for detecting coffee adulteration and improving the sensitivity and accuracy of these methods. Corn and other lower value crops are potential adulterants, along with sticks and coffee husks. Fourteen pure Brazilian roasted, ground coffee bean samples were adulterated with 1-20% of roasted, ground corn and were analyzed for their tocopherol content and profile by HPLC. They were also analyzed by near-infrared (NIR) spectroscopy. Both proposed methods of detection of corn adulteration displayed a sensitivity of around 5%, thus representing simple and fast analytical methods for detecting adulteration at likely levels of contamination. Further studies should be conducted to verify the results with a much larger sample size and additional types of adulterants. PMID:26600312

  11. Raman spectroscopy as an effective screening method for detecting adulteration of milk with small nitrogen-rich molecules and sucrose.

    Science.gov (United States)

    Nieuwoudt, M K; Holroyd, S E; McGoverin, C M; Simpson, M C; Williams, D E

    2016-04-01

    Adulteration of milk for commercial gain is acknowledged as a serious issue facing the dairy industry. Several analytical techniques can be used to detect adulteration but they often require time-consuming sample preparation, expensive laboratory equipment, and highly skilled personnel. Here we show that Raman spectroscopy provides a simple, selective, and sensitive method for screening milk, specifically for small nitrogen-rich compounds, such as melamine, urea, ammonium sulfate, dicyandiamide, and for sucrose. Univariate and multivariate statistical methods were used to determine limits of detection and quantification from Raman spectra of milk spiked with 50 to 1,000 mg/L of the N-rich compounds and 0.25 to 4% sucrose. Partial least squares (PLS) calibration provided limit of detection minimum thresholds adulterants. PMID:26874427

  12. A Sparse Semi-Blind Source Identification Method and Its Application to Raman Spectroscopy for Explosives Detection

    CERN Document Server

    Sun, Y

    2011-01-01

    Rapid and reliable detection and identification of unknown chemical substances is critical to homeland security. It is challenging to identify chemical components from a wide range of explosives. There are two key steps involved. One is a nondestructive and informative spectroscopic technique for data acquisition. The other is an associated library of reference features along with a computational method for feature matching and meaningful detection within or beyond the library. Recently several experimental techniques based on Raman scattering have been developed to perform standoff detection and identification of explosives, and they prove to be successful under certain idealized conditions. However data analysis is limited to standard least squares method assuming the complete knowledge of the chemical components. In this paper, we develop a new iterative method to identify unknown substances from mixture samples of Raman spectroscopy. In the first step, a constrained least squares method decomposes the dat...

  13. Detection of trace concentrations of helium and argon in gas mixtures by laser-induced breakdown spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    McNaghten, E.D., E-mail: Edward.McNaghten@awe.co.u [AWE Aldermaston, Reading, Berkshire, RG7 4PR (United Kingdom); Parkes, A.M.; Griffiths, B.C. [AWE Aldermaston, Reading, Berkshire, RG7 4PR (United Kingdom); Whitehouse, A.I.; Palanco, S. [Applied Photonics Ltd., Skipton, North Yorkshire, BD23 2DE (United Kingdom)

    2009-10-15

    We report what we believe to be the first demonstration of the detection of trace quantities of helium and argon in binary and ternary gas mixtures with nitrogen by laser-induced breakdown spectroscopy (LIBS). Although significant quenching of helium transitions due to collisional deactivation of excited species was observed, it was found that losses in analytical sensitivity could be minimized by increasing the laser irradiance and decreasing the pressure at which the analyses were performed. In consequence, limits of detection of parts-per-million and tens of parts-per-million and linear dynamic ranges of several orders of magnitude in analyte concentration were obtained. The results of this study suggest that LIBS may have potential applications in the detection of other noble gases at trace concentrations.

  14. Trace metal detection in E. crassipes (water hyacinth) from the Pasig River via laser-induced breakdown spectroscopy

    International Nuclear Information System (INIS)

    Detection of trace metals in organic samples was performed using laser-induced breakdown spectroscopy (LIBS). A pulsed 1064-nm Nd:YAG laser was used to excite E. crassipes (water hyacinth) plant samples obtained from three areas in the Pasig River. Preliminary results from the analysis of obtained spectra show five distinct emission peaks in the 350-450 nm and around the 520-600 nm regions that could be attributed to the presence of iron, chromium, sodium and possibly aluminum, calcium and/or magnesium. Several methods for improving the LIBS emission signal detected from the set-up are enumerated. LIBS was presented as a possible alternative elemental analysis technique for organic and environmental detection applications. (author)

  15. Volume-selective 1H MR spectroscopy for in vivo detection of valproate in patients with epilepsy

    Energy Technology Data Exchange (ETDEWEB)

    Seyfert, S. [Department of Neurology, Benjamin Franklin Medical Centre, Free University of Berlin, Hindenburgdamm 30, 12200, Berlin (Germany); Bernarding, J. [Department of Medical Informatics, Benjamin Franklin Medical Centre, Free University of Berlin, Hindenburgdamm 30, 12200, Berlin (Germany); Department of Radiology and Nuclear Medicine, Benjamin Franklin Medical Centre, Free University of Berlin, Hindenburgdamm 30, 12200, Berlin (Germany); Braun, J. [Department of Medical Informatics, Benjamin Franklin Medical Centre, Free University of Berlin, Hindenburgdamm 30, 12200, Berlin (Germany)

    2003-05-01

    We performed volume-selective 1H MR spectroscopy (1H-MRS) on 12 patients on valproate monotherapy to detect valproate in vivo in the brain. We also acquired reference valproate spectra in vitro in subphysiological 15 g/l albumin solution in saline, in which valproate showed two resonance peaks at 0.7 and 1.2 ppm and a minimum detection threshold of 240 mg/l. In vivo 1H-MRS spectra in brain showed peaks between 0.6 and 1.6 ppm. Simultaneous serum valproate concentrations did not correlate with these integrated MRS peaks. On follow-up, changes in these signals also did not correlate with increasing serum valproate levels. The inconsistency of in vivo 1H-MRS signals at varying serum levels and the high detection levels in vitro suggest that valproate signals are missed in vivo because valproate is metabolised or strongly bound, presumably to brain macromolecules. (orig.)

  16. Volume-selective 1H MR spectroscopy for in vivo detection of valproate in patients with epilepsy

    International Nuclear Information System (INIS)

    We performed volume-selective 1H MR spectroscopy (1H-MRS) on 12 patients on valproate monotherapy to detect valproate in vivo in the brain. We also acquired reference valproate spectra in vitro in subphysiological 15 g/l albumin solution in saline, in which valproate showed two resonance peaks at 0.7 and 1.2 ppm and a minimum detection threshold of 240 mg/l. In vivo 1H-MRS spectra in brain showed peaks between 0.6 and 1.6 ppm. Simultaneous serum valproate concentrations did not correlate with these integrated MRS peaks. On follow-up, changes in these signals also did not correlate with increasing serum valproate levels. The inconsistency of in vivo 1H-MRS signals at varying serum levels and the high detection levels in vitro suggest that valproate signals are missed in vivo because valproate is metabolised or strongly bound, presumably to brain macromolecules. (orig.)

  17. Micro-Spectroscopy as a Tool for Detecting Micron-Scale Mineral Variations Across a Rock Surface: An Example Using a Thin Section of Martian Meteorite ALH 84001

    Science.gov (United States)

    Dalton, J. B.; Bishop, J. L.

    2003-03-01

    Visible and near-infrared spectra of a portion of martian meteorite ALH84001 were acquired using a high resolution imaging microscope to investigate imaging spectroscopy for mineral detection at small scales.

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

    Science.gov (United States)

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

  19. Detection and localization of defects in complex structures by Nonlinear Elastic Wave Spectroscopy and Acoustic Emission

    Czech Academy of Sciences Publication Activity Database

    Převorovský, Zdeněk; Chlada, Milan; Krofta, Josef; Kober, Jan; Dos Santos, S.

    Le Mans: The University of Maine in Le Mans, 2013 - (Bentahar, M.; Kenderian, S.; Green, R.). s. 95 [Internanational Symposium on Nondestructive Characterization of Materials /13./. 20.05.2013-24.05.2013, Le Mans] Institutional support: RVO:61388998 Keywords : nonlinear elastic wave spectroscopy * acoustic emission * nondestructive testing * damage initiation * civil structure Subject RIV: JS - Reliability ; Quality Management, Testing

  20. NIR & MIR spectroscopy as an effective tool for detecting urban influences on soils

    Science.gov (United States)

    Brook, Anna; Kopel, Daniella; Wittenberg, Lea

    2016-04-01

    Soil supports ecosystem functions and services, sustains ecosystems and biodiversity, yet in the urban spreading world of today, soil as a resource is in constant danger. Human society takes for granted the services provided by open green patches allocated within and nearby cities, with no consideration of ramifications of urban development on those areas. The urban ecology science recognizes the need to learn, identify and monitor the soils of cities - urban soils. The definitions of those soils are mainly descriptive, since urban soils do not submitted to the pedological process as natural soils. The main objective of this paper is to characterize urban soils in open green undisturbed patches by mineralogical composition. This goal was achieved using field and laboratory spectroscopy across visible near, short wave infrared regions and laboratory thermal mid infrared region. The majority of the studies on urban soils concentrate on identifying and mapping of pollution mostly heavy metals. In this study a top-down analysis (a simple and intuitive spectral feature for detecting the presence of minerals, organic matter and pollutants in mixed soil samples) is applied. This method uses spectral activity (SA) detection in a structured hierarchical approach to quickly and, more importantly, correctly identify dominant spectral features. The applied method is adopted by multiple in-production tools including continuum removal normalization, guided by polynomial generalization, and spectral-likelihood algorithms: orthogonal subspace projection (OSP) and iterative spectral mixture analysis (ISMA) were compared to feature likelihood methods. A total of 70 soil samples were collected at different locations: in remnant area within the city (edge and core), on the borders of the neighborhoods (edge) and in the fringe zone and in 2 locations in the protected park. The park samples were taken in locations found more than 100m from roads or direct anthropogenic disturbances. The

  1. Detection of radiation induced lung injury in rats using dynamic hyperpolarized 129Xe magnetic resonance spectroscopy

    International Nuclear Information System (INIS)

    Purpose: Radiation induced lung injury (RILI) is a common side effect for patients undergoing thoracic radiation therapy (RT). RILI can lead to temporary or permanent loss of lung function and in extreme cases, death. Combining functional lung imaging information with conventional radiation treatment plans may lead to more desirable treatment plans that reduce lung toxicity and improve the quality of life for lung cancer survivors. Magnetic Resonance Imaging of the lung following inhalation of hyperpolarized129Xe may provide a useful nonionizing approach for probing changes in lung function and structure associated with RILI before, during, or after RT (early and late time-points). Methods: In this study, dynamic129Xe MR spectroscopy was used to measure whole-lung gas transfer time constants for lung tissue and red blood cells (RBC), respectively (TTr-tissue and TTr-RBC) in groups of rats at two weeks and six weeks following 14 Gy whole-lung exposure to radiation from a 60Co source. A separate group of six healthy age-matched rats served as a control group. Results: TTr-tissue values at two weeks post-irradiation (51.6 ± 6.8 ms) were found to be significantly elevated (p < 0.05) with respect to the healthy control group (37.2 ± 4.8 ms). TTr-RBC did not show any significant changes between groups. TTr-tissue was strongly correlated with TTr-RBC in the control group (r = 0.9601 p < 0.05) and uncorrelated in the irradiated groups. Measurements of arterial partial pressure of oxygen obtained by arterial blood sampling were found to be significantly decreased (p < 0.05) in the two-week group (54.2 ± 12.3 mm Hg) compared to those from a representative control group (85.0 ± 10.0 mm Hg). Histology of a separate group of similarly irradiated animals confirmed the presence of inflammation due to radiation exposure with alveolar wall thicknesses that were significantly different (p < 0.05). At six weeks post-irradiation, TTr-tissue returned to values (35.6 ± 9.6 ms

  2. A Practical Guide to Robust Detection of GABA in Human Brain by J-difference Spectroscopy at 3 Tesla Using a Standard Volume Coil

    OpenAIRE

    Waddell, Kevin W.; Avison, Malcolm J.; Joers, James M.; John C. Gore

    2007-01-01

    γ-Aminobutyric acid (GABA) is the major inhibitory neurotransmitter in human brain and has been implicated in several neuropsychiatric disorders. In-vivo human brain GABA concentrations are near the detection limit for magnetic resonance spectroscopy (∼1 mM) and because of overlap with more abundant compounds, spectral editing is generally necessary to detect GABA. In previous reports, GABA spectra edited by J-difference spectroscopy vary considerably in appearance. We have evaluated the fact...

  3. Pursuing shell-isolated nanoparticle-enhanced Raman spectroscopy (SHINERS) for concomitant detection of breast lesions and microcalcifications

    Science.gov (United States)

    Zheng, Chao; Shao, Wanting; Paidi, Santosh Kumar; Han, Bing; Fu, Tong; Wu, Di; Bi, Lirong; Xu, Weiqing; Fan, Zhimin; Barman, Ishan

    2015-10-01

    Although tissue staining followed by morphologic identification remains the gold standard for diagnosis of most cancers, such determinations relying solely on morphology are often hampered by inter- and intra-observer variability. Vibrational spectroscopic techniques, in contrast, offer objective markers for diagnoses and can afford disease detection prior to alterations in cellular and extracellular architecture by furnishing a rapid ``omics''-like view of the biochemical status of the probed specimen. Here, we report a classification approach to concomitantly detect microcalcification status and local pathological state in breast tissue, featuring a combination of vibrational spectroscopy that focuses on the tumor and its microenvironment, and multivariate data analysis of spectral markers reflecting molecular expression. We employ the unprecedented sensitivity and exquisite molecular specificity offered by Au@SiO2 shell-isolated nanoparticle-enhanced Raman spectroscopy (SHINERS) to probe the presence of calcified deposits and distinguish between normal breast tissues, fibroadenoma, atypical ductal hyperplasia, ductal carcinoma in situ (DCIS), and invasive ductal carcinoma (IDC). By correlating the spectra with the corresponding histologic assessment, we developed partial least squares-discriminant analysis derived decision algorithm that provides excellent diagnostic power in the fresh frozen sections (overall accuracy of 99.4% and 93.6% using SHINs for breast lesions with and without microcalcifications, respectively). The performance of this decision algorithm is competitive with or supersedes that of analogous algorithms employing spontaneous Raman spectroscopy while enabling facile detection due to the considerably higher intensity of SHINERS. Our results pave the way for rapid tissue spectral pathology measurements using SHINERS that can offer a novel stain-free route to accurate and economical diagnoses without human interpretation.Although tissue staining

  4. A new paradigm of dielectric relaxation spectroscopy for non-invasive detection of breast abnormalities: a preliminary feasibility analysis

    Science.gov (United States)

    Dhurjaty, Sreeram; Qiu, Yuchen; Tan, Maxine; Qian, Wei; Zheng, Bin

    2016-03-01

    In order to improve efficacy of screening mammography, in recent years, we have been investigating the feasibility of applying a resonance-frequency based electrical impedance spectroscopy (REIS) technology to noninvasively detect breast abnormalities that may lead to the development of cancer in the near-term. Despite promising study-results, we found that REIS suffered from relatively poor reproducibility due to perturbations in electrode placement, contact pressure variation on the breast, as well as variation of the resonating inductor. To overcome this limitation, in this study, we propose and analyze a new paradigm of Dielectric Relaxation Spectroscopy (DRS) that measures polarization-lag of dielectric signals in breast-capacitance when excited by the pulses or sine waves. Unlike conventional DRS that operates using the signals at very high frequencies (GHz) to examine changes in polarization, our new method detects and characterizes the dielectric properties of tissue at low frequencies (=80 times as compared to conventional DRS, which operates at frequencies around 4GHz. By analyzing and comparing the relationship between the new DRS and REIS, we found that this DRS has potential advantages in enhancing repeatability from various readings, including temperature-insensitive detection, and yielding higher resolution or sensitivity (up to 100 Femtofarads).

  5. Location and detection of explosive-contaminated human fingerprints on distant targets using standoff laser-induced breakdown spectroscopy

    International Nuclear Information System (INIS)

    Detection of explosive-contaminated human fingerprints constitutes an analytical challenge of high significance in security issues and in forensic sciences. The use of a laser-induced breakdown spectroscopy (LIBS) sensor working at 31 m distance to the target, fitted with 2D scanning capabilities and designed for capturing spectral information from laser-induced plasmas of fingerprints is presented. Distribution chemical maps based on Na and CN emissions are used to locate and detect chloratite, DNT, TNT, RDX and PETN residues that have been deposited on the surface of aluminum and glass substrates. An effectiveness of 100% on fingerprints detection, regardless the substrate scanned, is reached. Environmental factors that affect the prevalence of the fingerprint LIBS response are discussed. - Highlights: • Explosive remnants left behind by fingerprints have been detected from afar. • Operating in scanning mode, LIBS boasts high ability to locate traces over a surface. • Effectiveness in trace detection plainly depends on the scanning spatial resolution. • The detection capability of LIBS shrinks as the fingerprints deteriorate over time

  6. Laser-induced breakdown spectroscopy of major and minor oxides in steel slags: Influence of detection geometry and signal normalization

    Science.gov (United States)

    Ahamer, C. M.; Eschlböck-Fuchs, S.; Kolmhofer, P. J.; Rössler, R.; Huber, N.; Pedarnig, J. D.

    2016-08-01

    Slag from secondary metallurgy in industrial steel production is analyzed by laser-induced breakdown spectroscopy (LIBS). The major oxides CaO, Al2O3, MgO, SiO2, FeO, MnO, and TiO2 are determined by calibration-free LIBS (CF-LIBS) method. For the minor oxide P2O5 calibration curves are established and the limits of detection (LOD) and the root-mean squared errors of prediction (RMSEP) are determined. The optical emission of the laser-induced plasma is measured for different detection geometries and varying sample position relative to the focal plane of the laser beam. LIBS spectra, plasma parameters, and analytical results are very similar for light collection with optical fibres close to the plasma ("direct detection") and at remote position ("collinear detection"). With collinear detection, the CF-LIBS calculated oxide concentrations are insensitive to sample position along the optical axis over wide range. The detection limits and the prediction errors of minor P2O5 depend on the major slag element used for signal normalization. With Mg and Si as internal reference elements the LOD values are 0.31 wt% and 0.07 wt%, respectively. The RMSEP values are lowest for signal normalization to Si. Calculations of the optical emission of ideal plasma support the experimental preference for Si as reference element in the phosphorous calibration.

  7. Cross-calibrating interferon-γ detection by using eletrochemical impedance spectroscopy and paraboloidal mirror enabled surface plasmon resonance interferometer

    Science.gov (United States)

    Liu, Meng-Wei; Chang, Hao-Jung; Lee, Shu-sheng; Lee, Chih-Kung

    2016-03-01

    Tuberculosis is a highly contagious disease such that global latent patient can be as high as one third of the world population. Currently, latent tuberculosis was diagnosed by stimulating the T cells to produce the biomarker of tuberculosis, i.e., interferon-γ. In this paper, we developed a paraboloidal mirror enabled surface plasmon resonance (SPR) interferometer that has the potential to also integrate ellipsometry to analyze the antibody and antigen reactions. To examine the feasibility of developing a platform for cross calibrating the performance and detection limit of various bio-detection techniques, electrochemical impedance spectroscopy (EIS) method was also implemented onto a biochip that can be incorporated into this newly developed platform. The microfluidic channel of the biochip was functionalized by coating the interferon-γ antibody so as to enhance the detection specificity. To facilitate the processing steps needed for using the biochip to detect various antigen of vastly different concentrations, a kinetic mount was also developed to guarantee the biochip re-positioning accuracy whenever the biochip was removed and placed back for another round of detection. With EIS being utilized, SPR was also adopted to observe the real-time signals on the computer in order to analyze the success of each biochip processing steps such as functionalization, wash, etc. Finally, the EIS results and the optical signals obtained from the newly developed optical detection platform was cross-calibrated. Preliminary experimental results demonstrate the accuracy and performance of SPR and EIS measurement done at the newly integrated platform.

  8. Development of an electrochemical surface-enhanced Raman spectroscopy (EC-SERS) aptasensor for direct detection of DNA hybridization.

    Science.gov (United States)

    Karaballi, R A; Nel, A; Krishnan, S; Blackburn, J; Brosseau, C L

    2015-09-01

    Rapid detection of disease biomarkers at the patient point-of-care is essential to timely and effective treatment. The research described herein focuses on the development of an electrochemical surface-enhanced Raman spectroscopy (EC-SERS) DNA aptasensor capable of direct detection of tuberculosis (TB) DNA. Specifically, a plausible DNA biomarker present in TB patient urine was chosen as the model target for detection. Cost-effective screen printed electrodes (SPEs) modified with silver nanoparticles (AgNP) were used as the aptasensor platform, onto which the aptamer specific for the target DNA was immobilized. Direct detection of the target DNA was demonstrated through the appearance of SERS peaks characteristic for adenine, present only in the target strand. Modulation of the applied potential allowed for a sizeable increase in the observed SERS response and the use of thiol back-filling prevented non-specific adsorption of non-target DNA. To our knowledge, this work represents the first EC-SERS study of an aptasensor for the direct, label-free detection of DNA hybridization. Such a technology paves the way for rapid detection of disease biomarkers at the patient point-of-care. PMID:25780805

  9. Systematic Assessment of Attenuated Total Reflectance-Fourier Transforms Infrared Spectroscopy Coupled with Multivariate Analysis for Forensic Analysis of Black Ball-point Pen Inks

    International Nuclear Information System (INIS)

    This manuscript aims to provide a new and non-destructive method for systematic analysis of inks on a questioned document. Ink samples were analyzed in situ on the paper substrate by micro-ATR-FTIR spectroscopy and the data obtained was processed and evaluated by a series of multivariate chemometrics. Absorbance value from wavenumbers of 2000-675 cm-1 were first processed by cluster analysis (CA), followed by principal component analysis (PCA) to form a set of new variables. Subsequently, the variables set was used for classification, differentiation and identification of 155 sample pens that comprise nine different brands. Results show that nine black ball-point pen brands could be classified into three main groups via discriminant analysis (DA). Differentiation analyses of nine different pen brands performed using one-way ANOVA indicated only two pairs of brands cannot be differentiated at 95 % confidence interval. Finally an identification flow chart was proposed to determine the brand of unknown pen inks. As a conclusion, the proposed method for extracting and creating a new variable set from infrared spectrum was evaluated to be satisfactory for systematic analysis of inks based on their infrared spectrum. (author)

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

    Science.gov (United States)

    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

  11. A direct experimental evidence for an aromatic C-H⋯O hydrogen bond by fluorescence-detected infrared spectroscopy

    Science.gov (United States)

    Venkatesan, V.; Fujii, A.; Ebata, T.; Mikami, N.

    2004-08-01

    Formation of a weak aromatic C-H⋯O hydrogen bond has been discerned both experimentally and computationally in the 1,2,4,5-tetrafluorobenzene (TFB)-water system. The intermolecular structure of the isolated TFB-water cluster in a supersonic jet was characterized using fluorescence-detected infrared spectroscopy. The formation of a weak hydrogen bond in the cluster was directly evidenced by a low-frequency shift and intensity enhancement of the hydrogen-bonded aromatic C-H stretch in the TFB moiety. This is the first direct observation of an aromatic C-H⋯O hydrogen bond in isolated gas phase clusters.

  12. X-ray Spectroscopy and Variability of AGN Detected in the 2 Ms Chandra Deep Field-North Survey

    OpenAIRE

    Bauer, F. E.; Vignali, C.; Alexander, D M; Brandt, W. N.; Garmire, G. P.; Hornschemeier, A. E.; Broos, P. S.; Townsley, L. K.; Schneider, D. P.

    2002-01-01

    We investigate the nature of the faint X-ray source population through X-ray spectroscopy and variability analyses of 136 AGN detected in the 2 Ms Chandra Deep Field-North survey with > 200 background-subtracted 0.5-8.0 keV counts [F(0.5-8.0 keV)=(1.4-200)e-15 erg cm^{-2} s^{-1}]. Our preliminary spectral analyses yield median spectral parameters of Gamma=1.61 and intrinsic N_H=6.2e21 cm^{-2} (z=1 assumed when no redshift available) when the AGN spectra are fitted with a simple absorbed power...

  13. False Detection of Dangerous and Netural Substances in Commonly Used Materials by Means of the Standard THz Time Domain Spectroscopy

    Science.gov (United States)

    Trofimov, V. A.; Varentsova, S. A.

    2016-04-01

    Essential limitations of the standard THz Time Domain Spectroscopy (TDS), which lead to false detection of dangerous and neutral substances in commonly used materials, are demonstrated using the physical experiment with chocolate under real conditions as well as with semiconductors under laboratory conditions. To overcome this disadvantage, we propose using the time-dependent spectrum of the THz pulse, transmitted through or reflected from a substance. For quality assessment of the standard substance absorption frequency presence in the signal under analysis, we use time-dependent integral correlation criteria. The influence of aperture placed in front of the sample on spectral properties of silicon wafers with different resistivity is demonstrated as well.

  14. Femtosecond stimulated Raman spectroscopy as a tool to detect molecular vibrations in ground and excited electronic states

    Science.gov (United States)

    Gelin, Maxim F.; Domcke, Wolfgang; Rao, B. Jayachander

    2016-05-01

    We give a detailed theoretical analysis of the simplest variant of femtosecond stimulated Raman spectroscopy, where a picosecond Raman pump pulse and a femtosecond Raman probe pulse are applied resonantly to a chromophore in thermal equilibrium in the ground electronic state. We demonstrate that this technique is capable of the detection of dephasing-free Raman-like lines revealing vibrational modes not only in the electronic ground state but also in the excited electronic state of the chromophore. The analytical results obtained with simplifying assumptions for the shape of the laser pulses are substantiated by numerical simulations with realistic laser pulses, employing the equation-of-motion phase-matching approach.

  15. Detection of adulteration in acetonitrile using near infrared spectroscopy coupled with pattern recognition techniques.

    Science.gov (United States)

    Hu, Le-Qian; Yin, Chun-Ling; Zeng, Zhi-Peng

    2015-12-01

    In this paper, near infrared spectroscopy (NIR) in cooperation with the pattern recognition techniques were used to determine the type of neat acetonitrile and the adulteration in acetonitrile. NIR spectra were collected between 400 nm and 2498 nm. The experimental data were first subjected to analysis of principal component analysis (PCA) to reveal significant differences and potential patterns between samples. Then support vector machine (SVM) were applied to develop classification models and the best parameter combination was selected by grid search. Under the best parameter combination, the classification accuracy rates of three types of neat acetonitrile reached 87.5%, and 100% for the adulteration with different concentration levels. The results showed that NIR spectroscopy combined with SVM could be utilized for determining the potential adulterants including water, ethanol, isopropyl alcohol, acrylonitrile, methanol, and by-products associated with the production of acetonitrile. PMID:26123603

  16. A study of Raman spectroscopy for the early detection and classification of malignancy in oesophageal tissue

    CERN Document Server

    Kendall, C A

    2002-01-01

    Raman Spectroscopy for the identification and classification of malignancy in the oesophagus has been demonstrated in this thesis. The potential of Raman spectroscopy in this field is twofold; as an adjunct for the pathologist and as a biopsy targeting tool at endoscopy. This study has demonstrated the feasibility of these potential applications in vitro. Spectral diagnostic models have been developed by correlating spectral information with histopathology. This is the current 'gold standard' diagnostic method for the identification of dysplasia, the established risk factor for the development of oesophageal cancer. Histopathology is a subjective assessment and widely acknowledged to have limitations. A more rigorous gold standard was therefore developed, as part of this study, using the consensus opinion of three independent expert pathologists to train the diagnostic models. Raman spectra have been measured from oesophageal tissue covering the full spectrum of malignant disease in the oesophagus, using a ne...

  17. Fluorescence lifetime correlation spectroscopy for precise concentration detection in vivo by background subtraction

    Science.gov (United States)

    Gärtner, Maria; Mütze, Jörg; Ohrt, Thomas; Schwille, Petra

    2009-07-01

    In vivo studies of single molecule dynamics by means of Fluorescence correlation spectroscopy can suffer from high background. Fluorescence lifetime correlation spectroscopy provides a tool to distinguish between signal and unwanted contributions via lifetime separation. By studying the motion of the RNA-induced silencing complex (RISC) within two compartments of a human cell, the nucleus and the cytoplasm, we observed clear differences in concentration as well as mobility of the protein complex between those two locations. Especially in the nucleus, where the fluorescence signal is very weak, a correction for background is crucial to provide reliable results of the particle number. Utilizing the fluorescent lifetime of the different contributions, we show that it is possible to distinguish between the fluorescent signal and the autofluorescent background in vivo in a single measurement.

  18. Anatomy-Based Algorithms for Detecting Oral Cancer Using Reflectance and Fluorescence Spectroscopy

    OpenAIRE

    McGee, Sasha; Mardirossian, Vartan; Elackattu, Alphi; Mirkovic, Jelena; Pistey, Robert; Gallagher, George; Kabani, Sadru; Yu, Chung-Chieh; Wang, Zimmern; Badizadegan, Kamran; Grillone, Gregory; Feld, Michael S.

    2009-01-01

    OBJECTIVES: We used reflectance and fluorescence spectroscopy to noninvasively and quantitatively distinguish benign from dysplastic/malignant oral lesions. We designed diagnostic algorithms to account for differences in the spectral properties among anatomic sites (gingiva, buccal mucosa, etc). METHODS: In vivo reflectance and fluorescence spectra were collected from 71 patients with oral lesions. The tissue was then biopsied and the specimen evaluated by histopathology. Quantitative par...

  19. Laser-induced breakdown spectroscopy based detection of lunar soil simulants for moon exploration

    Institute of Scientific and Technical Information of China (English)

    Rong Shu; Hongxing Qi; Gang Lü; Demin Ma; Zhiping He; Yongqi Xue

    2007-01-01

    A scientific goal of the moon exploration project is to perform elemental analysis on the moon surface.The assuming of using laser-induced breakdown spectroscopy (LIBS) for this goal has been put forward.The laser plasma used by LIBS is sensitive to the surrounding atmosphere and the moon has very low ambient gas pressure on the surface, so the study of the LIBS capabilities at the low pressure was carried out.

  20. Portable Measurement System for Voltammetry and Impedance Spectroscopy. Application for TNT Detection

    OpenAIRE

    Masot Peris, Rafael; Alcañiz Fillol, Miguel; Garcia-Breijo, Eduardo; Olguín Pinatti, Cristian Ariel; Ibáñez Civera, Francisco Javier; Gil Sánchez, Luís

    2012-01-01

    This paper presents the design of a portable low-cost electronic tongue system that includes an electronic equipment based on a 16 bits microcontroller and a software application that runs on a personal computer. The designed system is able to carry out voltammetry and impedance spectroscopy measurements with different electrodes configurations in a single device, allowing the implementation of both techniques in a convenient and easy way. The designed system has been electrically characteriz...

  1. XTE J1752-223: Optical spectroscopy and infrared counterpart detection

    Science.gov (United States)

    Torres, M. A. P.; Steeghs, D.; Jonker, P. G.; Thompson, I.; Soderberg, A. M.

    2009-10-01

    Prompted by the discovery of its bright optical counterpart and the announcement of increased X-ray activity (ATels #2258, #2259, #2261, #2265, #2263), we have acquired additional observations of XTE J1752-223 at optical and near-infrared wavelengths. OPTICAL SPECTROSCOPY: An optical spectrum covering 3330-9165 Angstrom was obtained with the MIKE echelle spectrograph on the Magellan Clay telescope starting on 2009 Oct 26 UT 23:52.

  2. IMAGING SPECTROSCOPY AND LIGHT DETECTION AND RANGING DATA FUSION FOR URBAN FEATURES EXTRACTION

    OpenAIRE

    Mohammed Idrees; Helmi Zulhaidi Mohd Shafri; Vahideh Saeidi

    2013-01-01

    This study presents our findings on the fusion of Imaging Spectroscopy (IS) and LiDAR data for urban feature extraction. We carried out necessary preprocessing of the hyperspectral image. Minimum Noise Fraction (MNF) transforms was used for ordering hyperspectral bands according to their noise. Thereafter, we employed Optimum Index Factor (OIF) to statistically select the three most appropriate bands combination from MNF result. The composite image was classified using unsupervised classifica...

  3. Detection of Ethanol Adulteration in Citronellal Oil by using Near Infared Spectroscopy and Multivariate Data Analysis

    OpenAIRE

    Hesti Meilina; M. Dani Supardan; Alfian Putra; Shinichiro Kuroki; Roumiana Tsenkova

    2013-01-01

    Citronella oil is one of the essential oils obtained from the leaves and stems of different species of Cymbopogon. The oil is used extensively as a source of perfumery chemicals such as citronellal, citronellol and geraniol. These chemicals are use in soap, perfumery, cosmetic, flavouring industries and also insect repellent throughout the world. The objective of this study is to use Near Infrared Spectroscopy (NIRS) as a rapid analytical technique for quantitative assessment of purity in cit...

  4. Methanol Perturbing Modeling Cell Membranes Investigated using Linear and Nonlinear Vibrational Spectroscopy

    Institute of Scientific and Technical Information of China (English)

    Kangzhen Tian; Hongchun Li; Shuji Ye

    2013-01-01

    Cell membranes play a crucial role in many biological functions of cells.A small change in the composition of cell membranes can strongly influence the functions of membrane-associated proteins,such as ion and water channels,and thus mediate the chemical and physical balance in cells.Such composition change could originate from the introduction of short-chain alcohols,or other anesthetics into membranes.In this work,we have applied sum frequency generation vibrational spectroscopy (SFG-VS),supplemented by attenuated total reflectance Fourier transform infrared spectroscopy (ATR-FTIR),to investigate interaction between methanol and 1,2-dimyristoyl-d54-sn-glycero-3-phosphocholine (d54-DMPC) lipid bilayers.Lipid's hydrocarbon interior is deuterated while its head group is hydrogenated.At the same time,CH3 symmetric stretch from methanol and lipid head amine group has different frequency,thus we can distinguish the behaviors of methanol,lipid head amine group,and lipid hydrocarbon interior.Based on the spectral feature of the bending mode of the water molecules replaced by methanol,we determined that the methanol molecules are intercalated into the region between amine and phosphate groups at the lipid hydrophilic head.The dipole of CH3 groups of methanol and lipid head,and the water O-H all adopt the same orientation directions.The introduction of methanol into the lipid hydrophilic head group can strongly perturb the entire length of the alkyl chains,resulting that the signals of CD2 and CD3 groups from both leaflets can not cancel each other.

  5. Rapid detection of volatile compounds in apple wines using FT-NIR spectroscopy.

    Science.gov (United States)

    Ye, Mengqi; Gao, Zhenpeng; Li, Zhao; Yuan, Yahong; Yue, Tianli

    2016-01-01

    The purpose of this work was to study the possibility and ability of NIR spectroscopy to determine the volatile compounds in apple wines. To achieve this, seventy-two samples were scanned using NIR transmission spectroscopy. The volatile compounds were analyzed using HS-SPME-GC-MS. Partial least square (PLS) regression with full cross-validation was applied to develop the calibration models. The calibration results using 42 apple wine samples had a coefficient of determination in full cross validation (Rcv(2)) between 0.8916 for hexanol and 0.8278 for 3,4,5-trimethyl-4-heptanol. The predictive ability of the models was further confirmed by external validation procedure with an independent sample set which did not belong to the calibration group. The resulting values of Rp(2) ranged from 0.9184 for ethyl hexanoate to 0.8811 for 2-phenethanol and 3,4,5-trimethyl-4-heptanol. The residual predictive deviation (RPD) obtained was higher than 2.9 in all the compounds. The results demonstrate that near infrared spectroscopy can be used as a rapid tool to determine the volatile compounds in apple wines. PMID:26213028

  6. Detection of Anthrax Simulants with Microcalorimetric Spectroscopy: Bacillus subtilis and Bacillus cereus Spores

    Science.gov (United States)

    Arakawa, Edward T.; Lavrik, Nickolay V.; Datskos, Panos G.

    2003-04-01

    Recent advances in the development of ultrasensitive micromechanical thermal detectors have led to the advent of novel subfemtojoule microcalorimetric spectroscopy (CalSpec). On the basis of principles of photothermal IR spectroscopy combined with efficient thermomechanical transduction, CalSpec provides acquisition of vibrational spectra of microscopic samples and absorbates. We use CalSpec as a method of identifying nanogram quantities of biological micro-organisms. Our studies focus on Bacillus subtilis and Bacillus cereus spores as simulants for Bacillus anthracis spores. Using CalSpec, we measured IR spectra of B. subtilis and B. cereus spores present on surfaces in nanogram quantities (approximately 100 -1000 spores). The spectra acquired in the wavelength range of 690 -4000 cm-1 (2.5 -14.5 μm) contain information-rich vibrational signatures that reflect the different ratios of biochemical makeup of the micro-organisms. The distinctive features in the spectra obtained for the two types of micro-organism can be used to distinguish between the spores of the Bacillus family. As compared with conventional IR and Fourier-transform IR microscopic spectroscopy techniques, the advantages of the present technique include significantly improved sensitivity (at least a full order of magnitude), absence of expensive IR detectors, and excellent potential for miniaturization.

  7. Raman spectroscopy of bio fluids: an exploratory study for oral cancer detection

    Science.gov (United States)

    Brindha, Elumalai; Rajasekaran, Ramu; Aruna, Prakasarao; Koteeswaran, Dornadula; Ganesan, Singaravelu

    2016-03-01

    ion for various disease diagnosis including cancers. Oral cancer is one of the most common cancers in India and it accounts for one third of the global oral cancer burden. Raman spectroscopy of tissues has gained much attention in the diagnostic oncology, as it provides unique spectral signature corresponding to metabolic alterations under different pathological conditions and micro-environment. Based on these, several studies have been reported on the use of Raman spectroscopy in the discrimination of diseased conditions from their normal counterpart at cellular and tissue level but only limited studies were available on bio-fluids. Recently, optical characterization of bio-fluids has also geared up for biomarker identification in the disease diagnosis. In this context, an attempt was made to study the metabolic variations in the blood, urine and saliva of oral cancer patients and normal subjects using Raman spectroscopy. Principal Component based Linear Discriminant Analysis (PC-LDA) followed by Leave-One-Out Cross-Validation (LOOCV) was employed to find the statistical significance of the present technique in discriminating the malignant conditions from normal subjects.

  8. Characterization of novel sufraces by FTIR spectroscopy and atomic force microscopy for food pathogen detection

    Science.gov (United States)

    Single molecular detection of pathogens and toxins of interest to food safety is within grasp using technology such as Atomic Force Microscopy. Using antibodies or specific aptamers connected to the AFM tip make it possible to detect a pathogen molecule on a surface. However, it also becomes necess...

  9. Hydrogen peroxide detection with quartz-enhanced photoacoustic spectroscopy using a distributed-feedback quantum cascade laser

    Energy Technology Data Exchange (ETDEWEB)

    Ren, Wei, E-mail: wr5@rice.edu; Jiang, Wenzhe; Tittel, Frank K. [Department of Electrical and Computer Engineering, Rice University, 6100 Main Street, Houston, Texas 77005 (United States); Sanchez, Nancy P.; Griffin, Robert J. [Department of Civil and Environmental Engineering, Rice University, 6100 Main Street, Houston, Texas 77005 (United States); Patimisco, Pietro [Department of Electrical and Computer Engineering, Rice University, 6100 Main Street, Houston, Texas 77005 (United States); Dipartimento Interateneo di Fisica, Università e Politecnico di Bari, Via Amendola 173, Bari 70126 (Italy); Spagnolo, Vincenzo [Dipartimento Interateneo di Fisica, Università e Politecnico di Bari, Via Amendola 173, Bari 70126 (Italy); Zah, Chung-en; Xie, Feng; Hughes, Lawrence C. [Corning Incorporated, Corning, New York 14831 (United States)

    2014-01-27

    A quartz-enhanced photoacoustic spectroscopy sensor system was developed for the sensitive detection of hydrogen peroxide (H{sub 2}O{sub 2}) using its absorption transitions in the v{sub 6} fundamental band at ∼7.73 μm. The recent availability of distributed-feedback quantum cascade lasers provides convenient access to a strong H{sub 2}O{sub 2} absorption line located at 1295.55 cm{sup −1}. Sensor calibration was performed by means of a water bubbler that generated titrated average H{sub 2}O{sub 2} vapor concentrations. A minimum detection limit of 12 parts per billion (ppb) corresponding to a normalized noise equivalent absorption coefficient of 4.6 × 10{sup −9} cm{sup −1}W/Hz{sup 1/2} was achieved with an averaging time of 100 s.

  10. Compact quantum cascade laser based quartz-enhanced photoacoustic spectroscopy sensor system for detection of carbon disulfide.

    Science.gov (United States)

    Waclawek, Johannes P; Moser, Harald; Lendl, Bernhard

    2016-03-21

    A compact gas sensor system based on quartz-enhanced photoacoustic spectroscopy (QEPAS) employing a continuous wave (CW) distributed feedback quantum cascade laser (DFB-QCL) operating at 4.59 µm was developed for detection of carbon disulfide (CS2) in air at trace concentration. The influence of water vapor on monitored QEPAS signal was investigated to enable compensation of this dependence by independent moisture sensing. A 1 σ limit of detection of 28 parts per billion by volume (ppbv) for a 1 s lock-in amplifier time constant was obtained for the CS2 line centered at 2178.69 cm-1 when the gas sample was moisturized with 2.3 vol% H2O. The work reports the suitability of the system for monitoring CS2 with high selectivity and sensitivity, as well as low sample gas volume requirements and fast sensor response for applications such as workplace air and process monitoring at industry. PMID:27136846

  11. A potential method for non-invasive acute myocardial infarction detection based on saliva Raman spectroscopy and multivariate analysis

    Science.gov (United States)

    Cao, Gang; Chen, Maowen; Chen, Yuanxiang; Huang, Zufang; Lin, Jinyong; Lin, Jia; Xu, Zhihong; Wu, Shanshan; Huang, Wei; Weng, Guoxing; Chen, Guannan

    2015-12-01

    Raman spectroscopy (RS) was employed for human saliva biochemical analysis with the aim to develop a rapidly non-invasive test for acute myocardial infarction (AMI) detection. High-quality Raman spectra were obtained from human saliva samples of 46 AMI patients and 43 healthy controls. Significant differences in Raman intensities of prominent bands were observed between AMI and normal saliva. The tentative assignment of the observed Raman bands indicated constituent and conformational differences between the two groups. Furthermore, principal component analysis (PCA) combined with linear discriminant analysis (LDA) was employed to analyze and classify the Raman spectra acquired from AMI and healthy saliva, yielding a diagnostic sensitivity of 80.4% and specificity of 81.4%. The results from this exploratory study demonstrated the feasibility and potential for developing RS analysis of human saliva into a clinical tool for rapid AMI detection and screening.

  12. Laser-induced Breakdown Spectroscopy used to Detect Endophyte-mediated Accumulation of Metals by Tall Fescue

    Energy Technology Data Exchange (ETDEWEB)

    Martin, Madhavi Z [ORNL; Stewart, Arthur J [ORNL; Gwinn, Dr. Kimberley [University of Tennessee, Knoxville (UTK); Waller, John C [ORNL

    2010-01-01

    Laser-induced breakdown spectroscopy was used to determine the impact of endophyte (Neotyphodium sp.) infection on elemental composition of tall fescue (Festuca arundinacea). Leaf material from endophyte-infected (E+) and endophyte-free (E-) tall fescue populations in established plots was examined. Leaf-tissue digestates were also tested for metals, by ICP-MS. Seven of eleven metals (Ca, Mg, Fe, Mn, Cu, Ni and Zn) were measured by both techniques at concentrations great enough to reliably compare. Mg, Zn, and Cd, a toxic metal that can be present in forage, were readily detected by LIBS, even though Cd concentrations in the plants were below levels typically achieved using ICP-MS detection. Implications of these results for research on forage analysis and phytoremediation are discussed.

  13. Laser-induced breakdown spectroscopy used to detect endophyte-mediated accumulation of metals by tall fescue

    Energy Technology Data Exchange (ETDEWEB)

    Martin, Madhavi Z.; Stewart, Arthur J.; Gwinn, Kimberley D.; Waller, John C.

    2010-05-01

    Laser-induced breakdown spectroscopy (LIBS) was used to determine the impact of endophyte (Neotyphodium sp.) infection on elemental composition of tall fescue (Festuca arundinacea). Leaf material from endophyte-infected (E+) and endophyte-free (E-) tall fescue populations in established plots was examined. Leaf-tissue digestates were also tested for metals, by inductively coupled plasma (ICP) mass spectrometry (MS). Seven of eleven metals (Ca, Mg, Fe, Mn, Cu, Ni, and Zn) were measured by both techniques at concentrations great enough for a reliable comparison. Mg, Zn, and Cd, a toxic metal that can be present in forage, were readily detected by LIBS, even though Cd concentrations in the plants were below levels typically achieved using ICP MS detection. Implications of these results for research on forage analysis and phytoremediation are discussed.

  14. Laser-induced breakdown spectroscopy used to detect endophyte-mediated accumulation of metals by tall fescue

    International Nuclear Information System (INIS)

    Laser-induced breakdown spectroscopy (LIBS) was used to determine the impact of endophyte (Neotyphodium sp.) infection on elemental composition of tall fescue (Festuca arundinacea). Leaf material from endophyte-infected (E+) and endophyte-free (E-) tall fescue populations in established plots was examined. Leaf-tissue digestates were also tested for metals, by inductively coupled plasma (ICP) mass spectrometry (MS). Seven of eleven metals (Ca, Mg, Fe, Mn, Cu, Ni, and Zn) were measured by both techniques at concentrations great enough for a reliable comparison. Mg, Zn, and Cd, a toxic metal that can be present in forage, were readily detected by LIBS, even though Cd concentrations in the plants were below levels typically achieved using ICP MS detection. Implications of these results for research on forage analysis and phytoremediation are discussed.

  15. Detection of gravity modes in the massive binary V380 Cyg from Kepler spacebased photometry and high-resolution spectroscopy

    CERN Document Server

    Tkachenko, A; Pavlovski, K; Southworth, J; Degroote, P; Debosscher, J; Still, M; Bryson, S; Molenberghs, G; Bloemen, S; de Vries, B L; Hrudkova, M; Lombaert, R; Neyskens, P; Papics, P I; Raskin, G; Van Winckel, H; Morris, R L; Sanderfer, D T; Seader, S E

    2012-01-01

    We report the discovery of low-amplitude gravity-mode oscillations in the massive binary star V380 Cyg, from 180 d of Kepler custom-aperture space photometry and 5 months of high-resolution high signal-to-noise spectroscopy. The new data are of unprecedented quality and allowed to improve the orbital and fundamental parameters for this binary. The orbital solution was subtracted from the photometric data and led to the detection of periodic intrinsic variability with frequencies of which some are multiples of the orbital frequency and others are not. Spectral disentangling allowed the detection of line-profile variability in the primary. With our discovery of intrinsic variability interpreted as gravity mode oscillations, V380 Cyg becomes an important laboratory for future seismic tuning of the near-core physics in massive B-type stars.

  16. Surface-Enhanced Raman Spectroscopy Study of 4-ATP on Gold Nanoparticles for Basal Cell Carcinoma Fingerprint Detection

    Science.gov (United States)

    Quynh, Luu Manh; Nam, Nguyen Hoang; Kong, K.; Nhung, Nguyen Thi; Notingher, I.; Henini, M.; Luong, Nguyen Hoang

    2016-05-01

    The surface-enhanced Raman signals of 4-aminothiophenol (4-ATP) attached to the surface of colloidal gold nanoparticles with size distribution of 2 to 5 nm were used as a labeling agent to detect basal cell carcinoma (BCC) of the skin. The enhanced Raman band at 1075 cm-1 corresponding to the C-S stretching vibration in 4-ATP was observed during attachment to the surface of the gold nanoparticles. The frequency and intensity of this band did not change when the colloids were conjugated with BerEP4 antibody, which specifically binds to BCC. We show the feasibility of imaging BCC by surface-enhanced Raman spectroscopy, scanning the 1075 cm-1 band to detect the distribution of 4-ATP-coated gold nanoparticles attached to skin tissue ex vivo.

  17. A high-sensitivity terahertz spectroscopy technology for tetracycline hydrochloride detection using metamaterials.

    Science.gov (United States)

    Qin, Jianyuan; Xie, Lijuan; Ying, Yibin

    2016-11-15

    Antibiotic residues in animal-derived food due to their overuse in veterinary medicine will have potential adverse effects on human health. The rapid and accurate detection of these drugs is essential for ensuring human food safety. In particular, the current detection methods are usually limited by the low sensitivity or the tedious pre-treatment. Here we demonstrate that metamaterials operating at terahertz frequencies, acting as highly sensitive sensors, show promising potential for the detection of tetracycline hydrochloride (TCH). We were able to detect a trace amount of TCH, as small as 0.1mg/L, which was about 10(5) times enhancement compared to the measurement of TCH on a silicon substance. Our study is likely to constitute an important step toward the detection of antibiotic residues in a food matrix. PMID:27283636

  18. Photon detection system for laser spectroscopy experiments with cooled/bunched beams at BECOLA facility at NSCL

    Science.gov (United States)

    Hughes, Maximilian; Minamisono, Kei; Mantica, Paul; Rossi, Dominic; Ryder, Caleb; Klose, Andrew; Tarazona, David; Strum, Ryan; Bollen, Georg; Ringle, Ryan; Barquest, Brad; Geppert, Christopher

    2013-10-01

    The BEam COoler and LAser spectroscopy (BECOLA) facility at NSCL is designed to determine fundamental properties of the atomic nucleus such as the charge radii, the spin and electromagnetic moments. Commissioning tests of BECOLA has been completed using a stable 39K beam produced from an offline ion source. The 39K beam was cooled and bunched and propagated collinearly with laser light. The resulting fluorescence was detected in a photomultiplier tube (PMT)sensitive to the wavelength of D1 transition of 39K The PMT was cooled to minimize background due to dark counts. The resulting fluorescence light was measured as a function of laser frequency and time relative to the 39K beam bunch. An EPICS-based Control Systems Studio (CSS) was used for data acquisition and the software package Root was used for data analysis. The performance characteristics of the photon detection system as well as the laser spectroscopy of bunched 39K will be discussed. Work was supported in part by the National Science Foundation, Grant PHY-11-02511.

  19. Mid-Infrared Quantum Cascade Laser Based Off-Axis Integrated Cavity Output Spectroscopy for Biogenic Nitric Oxide Detection

    Science.gov (United States)

    Bakhirkin, Yury A.; Kosterev, Anatoliy A.; Roller, Chad; Curl, Robert F.; Tittel, Frank K.

    2004-04-01

    Tunable-laser absorption spectroscopy in the mid-IR spectral region is a sensitive analytical technique for trace-gas quantification. The detection of nitric oxide (NO) in exhaled breath is of particular interest in the diagnosis of lower-airway inflammation associated with a number of lung diseases and illnesses. A gas analyzer based on a continuous-wave mid-IR quantum cascade laser operating at ~5.2 µm and on off-axis integrated cavity output spectroscopy (ICOS) has been developed to measure NO concentrations in human breath. A compact sample cell, 5.3 cm in length and with a volume of less than 80 cm3, that is suitable for on-line and off-line measurements during a single breath cycle, has been designed and tested. A noise-equivalent (signal-to-noise ratio of 1) sensitivity of 10 parts in 10 9 by volume (ppbv) of NO was achieved. The combination of ICOS with wavelength modulation resulted in a 2-ppbv noise-equivalent sensitivity. The total data acquisition and averaging time was 15 s in both cases. The feasibility of detecting NO in expired human breath as a potential noninvasive medical diagnostic tool is discussed.

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

    International Nuclear Information System (INIS)

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

  1. Detection of citrus canker and Huanglongbing using fluorescence imaging spectroscopy and support vector machine technique.

    Science.gov (United States)

    Wetterich, Caio Bruno; Felipe de Oliveira Neves, Ruan; Belasque, José; Marcassa, Luis Gustavo

    2016-01-10

    Citrus canker and Huanglongbing (HLB) are citrus diseases that represent a serious threat to the citrus production worldwide and may cause large economic losses. In this work, we combined fluorescence imaging spectroscopy (FIS) and a machine learning technique to discriminate between these diseases and other ordinary citrus conditions that may be present at citrus orchards, such as citrus scab and zinc deficiency. Our classification results are highly accurate when discriminating citrus canker from citrus scab (97.8%), and HLB from zinc deficiency (95%). These results show that it is possible to accurately identify citrus diseases that present similar symptoms. PMID:26835778

  2. Nanoporosity in a self-assembled drug delivery system detected by positron annihilation lifetime spectroscopy

    International Nuclear Information System (INIS)

    Full text: We present a new drug carrier system that consists of silica hybrid gels having organic side groups. A major difference to existing formulations is that the matrix is generated in the presence of the drug molecule in a self-assembling process. The critical role of pore architecture (size and accessibility) in the tailored drug release is clearly revealed by positron annihilation lifetime spectroscopy (PALS), while the classical nitrogen adsorption technique (BET method) is not suitable here to indicate the internal void structure. Copyright (2005) Australian Institute of Physics

  3. The detection and identification of selected lube base oil using terahertz time-domain spectroscopy

    Science.gov (United States)

    Lu, Tian; Zhou, Qing-li; Jin, Bin; Zhao, Kun; Zhao, Song-qing; Zhang, Cun-lin

    2009-07-01

    Using the terahertz time-domain spectroscopy (THz-TDS), the frequency-dependent absorption coefficient(s) and refractive index (indices) of selected lube base oil (LBO) were extracted in the spectral range of 0.3-1.6 THz. The selected LBO was also characterized by near-infrared spectrum. The experimental results reveal that LBO is more sensitive in the THz range than near-infrared, and the different viscosity index of LBO can be identified according to their different spectral features in THz range. Due to better repeatability, shorter testing time, and easy operation, THz- TDS can be used as a complementary for identifying the chemical composition of LBO.

  4. Near-infrared Raman spectroscopy for detection and classification of gastrointestinal disease

    Science.gov (United States)

    Stone, Nicholas; Kendall, Catherine A.; Chandratreya, Nitya; Shepherd, Neil; Barr, Hugh

    2002-03-01

    The prospect of utilising NIR-Raman spectroscopy for analysis of gastro-intestinal (GI) tissue has been explored both with snap-frozen and formalin fixed samples. In the oesophagus large sample numbers have been employed and the full spectrum of pathology has been studied. Multivariate analysis techniques have been employed to optimally separate the groups and spectral diagnostic models have been constructed and evaluated by employing cross-validation testing. Sensitivities have been shown to vary between 73 and 100 percent and specificities between 91 and 100 percent, depending on pathology group and tissue type.

  5. Automatic laser beam alignment using blob detection for an environment monitoring spectroscopy

    Science.gov (United States)

    Khidir, Jarjees; Chen, Youhua; Anderson, Gary

    2013-05-01

    This paper describes a fully automated system to align an infra-red laser beam with a small retro-reflector over a wide range of distances. The component development and test were especially used for an open-path spectrometer gas detection system. Using blob detection under OpenCV library, an automatic alignment algorithm was designed to achieve fast and accurate target detection in a complex background environment. Test results are presented to show that the proposed algorithm has been successfully applied to various target distances and environment conditions.

  6. PCR-Free Detection of Genetically Modified Organisms Using Magnetic Capture Technology and Fluorescence Cross-Correlation Spectroscopy

    Science.gov (United States)

    Zhou, Xiaoming; Xing, Da; Tang, Yonghong; Chen, Wei R.

    2009-01-01

    The safety of genetically modified organisms (GMOs) has attracted much attention recently. Polymerase chain reaction (PCR) amplification is a common method used in the identification of GMOs. However, a major disadvantage of PCR is the potential amplification of non-target DNA, causing false-positive identification. Thus, there remains a need for a simple, reliable and ultrasensitive method to identify and quantify GMO in crops. This report is to introduce a magnetic bead-based PCR-free method for rapid detection of GMOs using dual-color fluorescence cross-correlation spectroscopy (FCCS). The cauliflower mosaic virus 35S (CaMV35S) promoter commonly used in transgenic products was targeted. CaMV35S target was captured by a biotin-labeled nucleic acid probe and then purified using streptavidin-coated magnetic beads through biotin-streptavidin linkage. The purified target DNA fragment was hybridized with two nucleic acid probes labeled respectively by Rhodamine Green and Cy5 dyes. Finally, FCCS was used to detect and quantify the target DNA fragment through simultaneously detecting the fluorescence emissions from the two dyes. In our study, GMOs in genetically engineered soybeans and tomatoes were detected, using the magnetic bead-based PCR-free FCCS method. A detection limit of 50 pM GMOs target was achieved and PCR-free detection of GMOs from 5 µg genomic DNA with magnetic capture technology was accomplished. Also, the accuracy of GMO determination by the FCCS method is verified by spectrophotometry at 260 nm using PCR amplified target DNA fragment from GM tomato. The new method is rapid and effective as demonstrated in our experiments and can be easily extended to high-throughput and automatic screening format. We believe that the new magnetic bead-assisted FCCS detection technique will be a useful tool for PCR-free GMOs identification and other specific nucleic acids. PMID:19956680

  7. PCR-free detection of genetically modified organisms using magnetic capture technology and fluorescence cross-correlation spectroscopy.

    Directory of Open Access Journals (Sweden)

    Xiaoming Zhou

    Full Text Available The safety of genetically modified organisms (GMOs has attracted much attention recently. Polymerase chain reaction (PCR amplification is a common method used in the identification of GMOs. However, a major disadvantage of PCR is the potential amplification of non-target DNA, causing false-positive identification. Thus, there remains a need for a simple, reliable and ultrasensitive method to identify and quantify GMO in crops. This report is to introduce a magnetic bead-based PCR-free method for rapid detection of GMOs using dual-color fluorescence cross-correlation spectroscopy (FCCS. The cauliflower mosaic virus 35S (CaMV35S promoter commonly used in transgenic products was targeted. CaMV35S target was captured by a biotin-labeled nucleic acid probe and then purified using streptavidin-coated magnetic beads through biotin-streptavidin linkage. The purified target DNA fragment was hybridized with two nucleic acid probes labeled respectively by Rhodamine Green and Cy5 dyes. Finally, FCCS was used to detect and quantify the target DNA fragment through simultaneously detecting the fluorescence emissions from the two dyes. In our study, GMOs in genetically engineered soybeans and tomatoes were detected, using the magnetic bead-based PCR-free FCCS method. A detection limit of 50 pM GMOs target was achieved and PCR-free detection of GMOs from 5 microg genomic DNA with magnetic capture technology was accomplished. Also, the accuracy of GMO determination by the FCCS method is verified by spectrophotometry at 260 nm using PCR amplified target DNA fragment from GM tomato. The new method is rapid and effective as demonstrated in our experiments and can be easily extended to high-throughput and automatic screening format. We believe that the new magnetic bead-assisted FCCS detection technique will be a useful tool for PCR-free GMOs identification and other specific nucleic acids.

  8. Detection of chemical residues in food oil via surface-enhanced Raman spectroscopy

    Science.gov (United States)

    Sun, Kexi; Huang, Qing

    2016-05-01

    Highly ordered hexagonally patterned Ag-nanorod (Ag-NR) arrays for surface-enhanced Raman scattering (SERS) detection of unhealthy chemical residues in food oil was reported, which was obtained by sputtering Ag on the alumina nanotip arrays stuck out of conical-pore anodic aluminum oxide (AAO) templates. SERS measurements demonstrate that the as-fabricated large-scale Ag-nanostructures can serve as highly sensitive and reproducible SERS substrates for detection of trace amount of chemicals in oil with the lower detection limits of 2×10-6 M for thiram and 10-7 M for rhodamine B, showing the potential of application of SERS in rapid trace detection of pesticide residues and illegal additives in food oils.

  9. Detection of peanut traces in wheat flour through NIR hyperspectral imaging spectroscopy

    OpenAIRE

    Mishra, Puneet; Barreiro Elorza, Pilar; Roger, Jean-Michel; Diezma Iglesias, Belen; Herrero Langreo, Ana; Lleó García, Lourdes; Gorretta, Nathalie

    2014-01-01

    - NIR Hyperspectral images (1000-2200 nm) allowed the detection of peanut traces down to adulteration percentages 0.01 % - Determination coefficient of R2= 0.946 was found for the quantification of peanut adulteration from 10% to 0.1%. - The obtained results shows the feasibility of using HSI systems for the detection of peanut traces in conjuction with chemical procedures, such as RT-PCR and ELISA to facilitate quality control surveyance on food product processing lines.

  10. Quantum Cascade Laser-Based Photoacoustic Spectroscopy for Trace Vapor Detection and Molecular Discrimination

    OpenAIRE

    Almon Fisher; Paul Pellegrino; John Bender; Ellen Holthoff

    2010-01-01

    We report on the development of a microelectromechanical systems (MEMS)-scale photoacoustic sensor for the detection of trace gases. A mid-infrared quantum cascade laser (QCL) was used to determine detection limits for acetic acid, acetone, 1,4-dioxane, and vinyl acetate. The source was continuously tunable from 1015 cm-1 to 1240 cm-1, allowing for the collection of photoacoustic vibrational spectra for these gases. Exceptional agreement between the measured photoacoustic spectra and the infr...

  11. Surface enhanced Raman spectroscopy detection of trace chemicals in inhomogeneous fluid mixtures

    OpenAIRE

    Tiainen, Laura

    2015-01-01

    Detecting trace chemicals in heterogeneous fluid mixtures has a variety of possible applications for example in food industry. The drivers of this development have not only been build on consumer awareness but have also been emphasized by decision makers at the EU level. The current laboratory methods are laborious, expensive and slow, which challenges their application in milk quality control especially in terms of qualitatively detecting such chemical residues an melamine. More studied are ...

  12. Optical fluorescence spectroscopy to detect hepatic necrosis after normothermic ischemia: animal model

    Science.gov (United States)

    Romano, Renan A.; Vollet-Filho, Jose D.; Pratavieira, Sebastião.; Fernandez, Jorge L.; Kurachi, Cristina; Bagnato, Vanderlei S.; Castro-e-Silva, Orlando; Sankarankutty, Ajith K.

    2015-06-01

    Liver transplantation is a well-established treatment for liver failure. However, the success of the transplantation procedure depends on liver graft conditions. The tissue function evaluation during the several transplantation stages is relevant, in particular during the organ harvesting, when a decision is made concerning the viability of the graft. Optical fluorescence spectroscopy is a good option because it is a noninvasive and fast technique. A partial normothermic hepatic ischemia was performed in rat livers, with a vascular occlusion of both median and left lateral lobes, allowing circulation only for the right lateral lobe and the caudate lobe. Fluorescence spectra under excitation at 532 nm (doubled frequency Nd:YAG laser) were collected using a portable spectrometer (USB2000, Ocean Optics, USA). The fluorescence emission was collected before vascular occlusion, after ischemia, and 24 hours after reperfusion. A morphometric histology analysis was performed as the gold standard evaluation - liver samples were analyzed, and the percentage of necrotic tissue was obtained. The results showed that changes in the fluorescence emission after ischemia can be correlated with the amount of necrosis evaluated by a morphometric analysis, the Pearson correlation coefficient of the generated model was 0.90 and the root mean square error was around 20%. In this context, the laser-induced fluorescence spectroscopy technique after normothermic ischemia showed to be a fast and efficient method to differentiate ischemic injury from viable tissues.

  13. Raman spectroscopy as a new tool for early detection of bacteria in patients with cystic fibrosis

    Science.gov (United States)

    Rusciano, Giulia; Capriglione, Paola; Pesce, Giuseppe; Abete, Pasquale; Carnovale, Vincenzo; Sasso, Antonio

    2013-07-01

    Respiratory infections represent a major threat for people affected by cystic fibrosis, leading to pulmonary deterioration and lung transplantation as a therapeutic option for end-stage patients. A fast and correct identification of pathogens in airway fluid of these patients is crucial to establish appropriate therapies, to prevent cross-infections and, ultimately, to preserve lung function. In this study, we used Raman spectroscopy to reveal bacteria in the sputa of patients such as Pseudomonas aeruginosa and Staphylococcus aureus, which are among the earliest and the most frequent bacteria affecting cystic fibrosis patients. We found that Raman analysis, combined with principal component analysis, is able to provide a correct identification of these bacteria, with a global accuracy higher than 95%. Interestingly, bacterial identification is performed by analysing patients’ sputa as a whole, avoiding, therefore, time-consuming procedures involving bacterial isolation or even bacterial cultures. This study suggests that Raman spectroscopy could be a suitable candidate for the development of innovative and non-invasive procedures for a fast and reliable identification of respiratory infections in cystic fibrosis patients.

  14. Detection of vibrational-overtone excitation in water via laser-induced grating spectroscopy

    International Nuclear Information System (INIS)

    In this paper we describe a method, based on the laser-induced grating technique, for studying the spectroscopy of vibrational overtone-excited gas-phase water. Two phase-coherent visible laser beams whose frequencies are in the range of the third overtone of the OH stretch in water are crossed in the gas-phase sample. As the wavelength of these excitation beams is scanned through individual rovibrational OH overtone transitions, vibrational energy is deposited into the water in a spatially sinusoidal pattern. A fixed-frequency 266 nm probe laser beam is diffracted from the resultant transmission diffraction grating in water. We show that under collision-free conditions, probe laser diffraction is observed from the initially excited grating, which is a necessary condition for using this technique to study the absorption spectroscopy of the vibrationally excited molecules. Under multiple collision conditions, a probe laser wavelength-independent refractive index grating is formed within the bulk sample. In addition, we observe temporal oscillations in the grating diffraction efficiency arising from excitation of standing acoustic waves

  15. Electronic states in vertically ordered Ge/Si quantum dots detected by photocurrent spectroscopy

    Science.gov (United States)

    Yakimov, A. I.; Kirienko, V. V.; Armbrister, V. A.; Bloshkin, A. A.; Dvurechenskii, A. V.

    2014-07-01

    We report on intraband photocurrent spectroscopy of sixfold stacked Ge/Si quantum dots embedded in a Si matrix and aligned along the growth direction. The dots are formed in a shape of pyramids with the average lateral size of 18 nm. The n-type heterostructures show broad spectral response ranging from 5 to 20 μm, depending on the polarization of the incoming infrared light. The normal incidence photocurrent peak centered around 12-15 μm is attributed to the transitions from the electron states localized in the Si region adjacent to the dots to continuum states of the Si matrix. The electron confinement is caused by a modification of the conduction band alignment induced by inhomogeneous tensile strain in Si around the buried Ge/Si quantum dots. Using the Ge content and dot shape determined by Raman and scanning tunneling microscopy analysis as input parameters for three-dimensional band structure simulations, a good agreement between measured and calculated electron binding energy is obtained. Photoluminescence spectroscopy and measurements of temperature dependence of dark conductance are used to correlate photocurrent results.

  16. Raman spectroscopy as a new tool for early detection of bacteria in patients with cystic fibrosis

    International Nuclear Information System (INIS)

    Respiratory infections represent a major threat for people affected by cystic fibrosis, leading to pulmonary deterioration and lung transplantation as a therapeutic option for end-stage patients. A fast and correct identification of pathogens in airway fluid of these patients is crucial to establish appropriate therapies, to prevent cross-infections and, ultimately, to preserve lung function. In this study, we used Raman spectroscopy to reveal bacteria in the sputa of patients such as Pseudomonas aeruginosa and Staphylococcus aureus, which are among the earliest and the most frequent bacteria affecting cystic fibrosis patients. We found that Raman analysis, combined with principal component analysis, is able to provide a correct identification of these bacteria, with a global accuracy higher than 95%. Interestingly, bacterial identification is performed by analysing patients’ sputa as a whole, avoiding, therefore, time-consuming procedures involving bacterial isolation or even bacterial cultures. This study suggests that Raman spectroscopy could be a suitable candidate for the development of innovative and non-invasive procedures for a fast and reliable identification of respiratory infections in cystic fibrosis patients. (letter)

  17. Detection of Anthropogenic Particles in Fish Stomachs: An Isolation Method Adapted to Identification by Raman Spectroscopy.

    Science.gov (United States)

    Collard, France; Gilbert, Bernard; Eppe, Gauthier; Parmentier, Eric; Das, Krishna

    2015-10-01

    Microplastic particles (MP) contaminate oceans and affect marine organisms in several ways. Ingestion combined with food intake is generally reported. However, data interpretation often is circumvented by the difficulty to separate MP from bulk samples. Visual examination often is used as one or the only step to sort these particles. However, color, size, and shape are insufficient and often unreliable criteria. We present an extraction method based on hypochlorite digestion and isolation of MP from the membrane by sonication. The protocol is especially well adapted to a subsequent analysis by Raman spectroscopy. The method avoids fluorescence problems, allowing better identification of anthropogenic particles (AP) from stomach contents of fish by Raman spectroscopy. It was developed with commercial samples of microplastics and cotton along with stomach contents from three different Clupeiformes fishes: Clupea harengus, Sardina pilchardus, and Engraulis encrasicolus. The optimized digestion and isolation protocol showed no visible impact on microplastics and cotton particles while the Raman spectroscopic spectrum allowed the precise identification of microplastics and textile fibers. Thirty-five particles were isolated from nine fish stomach contents. Raman analysis has confirmed 11 microplastics and 13 fibers mainly made of cellulose or lignin. Some particles were not completely identified but contained artificial dyes. The novel approach developed in this manuscript should help to assess the presence, quantity, and composition of AP in planktivorous fish stomachs. PMID:26289815

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

    Science.gov (United States)

    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.

  19. Mid-infrared carbon monoxide detection system using differential absorption spectroscopy technique

    Science.gov (United States)

    Dong, Ming; Sui, Yue; Li, Guo-lin; Zheng, Chuan-tao; Chen, Mei-mei; Wang, Yi-ding

    2015-11-01

    A differential carbon monoxide (CO) concentration sensing device using a self-fabricated spherical mirror (e.g. light-collector) and a multi-pass gas-chamber is presented in this paper. Single-source dual-channel detection method is adopted to suppress the interferences from light source, optical path and environmental changes. Detection principle of the device is described, and both the optical part and the electrical part are developed. Experiments are carried out to evaluate the sensing performance on CO concentration. The results indicate that at 1.013×105 Pa and 298 K, the limit of detection (LoD) is about 11.5 mg/m3 with an absorption length of 40 cm. As the gas concentration gets larger than 115 mg/m3 (1.013×105 Pa, 298 K), the relative detection error falls into the range of -1.7%—+1.9%. Based on 12 h long-term measurement on the 115 mg/m3 and 1 150 mg/m3 CO samples, the maximum detection errors are about 0.9% and 5.5%, respectively. Due to the low cost and competitive characteristics, the proposed device shows potential applications in CO detection in the circumstances of coal-mine production and environmental protection.

  20. A study of Raman spectroscopy for the early detection and classification of malignancy in oesophageal tissue

    International Nuclear Information System (INIS)

    Raman Spectroscopy for the identification and classification of malignancy in the oesophagus has been demonstrated in this thesis. The potential of Raman spectroscopy in this field is twofold; as an adjunct for the pathologist and as a biopsy targeting tool at endoscopy. This study has demonstrated the feasibility of these potential applications in vitro. Spectral diagnostic models have been developed by correlating spectral information with histopathology. This is the current 'gold standard' diagnostic method for the identification of dysplasia, the established risk factor for the development of oesophageal cancer. Histopathology is a subjective assessment and widely acknowledged to have limitations. A more rigorous gold standard was therefore developed, as part of this study, using the consensus opinion of three independent expert pathologists to train the diagnostic models. Raman spectra have been measured from oesophageal tissue covering the full spectrum of malignant disease in the oesophagus, using a near infrared Raman spectrometer customised for tissue spectral measurements. Two spectral datasets were measured with different volumes of tissue probed using twenty and eighty times magnification ultra long working distance objectives. Multivariate statistical analysis has been used to extract the required spectral information with the greatest discriminative power. Principal component fed linear discriminant spectral models have been tested with leave one out cross validation procedures. Three pathology group models have correctly classified up to 91% of spectra, and eight group models have correctly classified up to 82% of spectra. Optimisation of the spectral models by selection of significant principal components, filtering the data and using staggered models was investigated. Effort has been made to understand the findings in their clinical context, with review of patient history and clinical progress, long term follow up is required. Preliminary work