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Sample records for atr-ftir spectroscopy detects

  1. 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.   

  2. 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...

  3. 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...

  4. 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…

  5. 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

  6. Cutaneous approach towards clinical and pathophysiological aspects of hyperglycemia by ATR FTIR spectroscopy

    Science.gov (United States)

    Eikje, Natalja Skrebova; Sota, Takayuki; Aizawa, Katsuo

    2007-07-01

    Attempts were made to non-invasively detect glucose-specific spectral signals in the skin by ATR-FTIR spectroscopy. In vivo spectra were collected from the inner wrists of healthy, prediabetes and diabetes subjects in the 750-4000 cm -1 region, with a closer assessment of the glucose-related region between 1000 and 1180 cm -1. Spectra in vivo showed glucose-specific peaks at 1030, 1080, 1118 and 1151 cm -1, as a variety of glucose solutions are found in vitro. Based on the differences of intensities at 1030 and 1118 cm -1 two spectral patterns were seen: I 1118 > I 1030 for a diabetes and I 1030> I 1118 for non-diabetes subjects. The peak at 1030 cm -1 was used to assess glucose concentrations in the skin due to its good correlation with glucose concentrations in vitro. Calculated mean values of the peak at 1030 cm -1 showed evidence of correlation with blood glucose levels when grouped as = 200 mg/dL, though there was no constant correlation between them when compared before/after OGTT or at the fasting/postprandial states. Absorbances at 1030 cm -1 were not only increased in a dose-dependent manner in a diabetes patient, but were also generally higher than in non-diabetes subjects at 30 min OGTT assessment. Also we could monitor absorbances at 1030 cm -1 and determine their changes in the skin tissue at different times of OGTT. We assume that our approach to in vivo measurement and monitoring of glucose concentrations at 1030 cm -1 may be one of the indicators to assess glucose activity level and its changes in the skin tissue, and has further implications in the study of clinical and pathophysiological aspects of hyperglycemia in diabetes and non-diabetes subjects by ATR-FTIR spectroscopy.

  7. 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.

  8. 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

  9. 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…

  10. Rapid detection of NBOME's and other NPS on blotter papers by direct ATR-FTIR spectrometry.

    Science.gov (United States)

    Coelho Neto, José

    2015-07-01

    Blotter paper is among the most common forms of consumption of new psychotropic substances (NPS), formerly referred as designer drugs. In many cases, users are misled to believe they are taking LSD when, in fact, they are taking newer and less known drugs like the NBOMEs or other substituted phenethylamines. We report our findings in quick testing of blotter papers for illicit substances like NBOMEs and other NPS by taking ATR-FTIR spectra directly from blotters seized on the streets, without any sample preparation. Both sides (front and back) of each blotter were tested. Collected data were analyzed by single- and multi-component spectral matching and submitted to chemometric discriminant analysis. Our results showed that, on 66.7% of the cases analyzed, seized blotters contained one or more types of NBOMEs, confirming the growing presence of this novel substances on the market. Matching IR signals were detected on both or just one side of the blotters and showed variable strength. Although no quantitative analysis was made, detection of these substances by the proposed approach serves as indication of variable and possibly higher dosages per blotter when compared to LSD, which showed to be below the detection limit of the applied method. Blotters containing a mescaline-like compound, later confirmed by GC-MS and LC-MS to be MAL (methallylescaline), a substance very similar to mescaline, were detected among the samples tested. Validity of direct ATR-FTIR testing was confirmed by checking the obtained results against independent GC-MS or LC-MS results for the same cases/samples.

  11. 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.

  12. 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.

  13. Analytical characterization of polymers used in conservation and restoration by ATR-FTIR spectroscopy.

    Science.gov (United States)

    Chércoles Asensio, Ruth; San Andrés Moya, Margarita; de la Roja, José Manuel; Gómez, Marisa

    2009-12-01

    In the last few decades many new polymers have been synthesized that are now being used in cultural heritage conservation. The physical and chemical properties and the long-term behaviors of these new polymers are determined by the chemical composition of the starting materials used in their synthesis along with the nature of the substances added to facilitate their production. The practical applications of these polymers depend on their composition and form (foam, film, sheets, pressure-sensitive adhesives, heat-seal adhesives, etc.). Some materials are used in restoration works and others for the exhibition, storage and transport of works of art. In all cases, it is absolutely necessary to know their compositions. Furthermore, many different materials that are manufactured for other objectives are also used for conservation and restoration. The technical information about the materials provided by the manufacturer is usually incomplete, so it is necessary to analytically characterize such materials. FTIR spectrometry is widely used for polymer identification, and, more recently, ATR-FTIR has been shown to give excellent results. This paper reports the ATR-FTIR analysis of samples of polymeric materials used in the conservation of artworks. These samples were examined directly in the solid material without sample preparation.

  14. Historical perspective and modern applications of Attenuated Total Reflectance-Fourier Transform Infrared Spectroscopy (ATR-FTIR).

    Science.gov (United States)

    Blum, Marc-Michael; John, Harald

    2012-01-01

    Vibrational spectroscopy has a long history as an important spectroscopic method in chemical and pharmaceutical analysis. Instrumentation for infrared (IR) spectroscopy was revolutionized by the introduction of Fourier Transform Infrared (FTIR) spectrometers. In addition, easier sampling combined with better sample-to-sample reproducibility and user-to-user spectral variation became available with attenuated total reflectance (ATR) probes and their application for in situ IR spectroscopy. These innovations allow many new applications in chemical and pharmaceutical analysis, such as the use of IR spectroscopy in Process Analytical Chemistry (PAC), the quantitation of drugs in complex matrix formulations, the analysis of protein binding and function and in combination with IR microscopy to the emergence of IR imaging technologies. The use of ATR-FTIR instruments in forensics and first response to 'white powder' incidents is also discussed. A short overview is given in this perspective article with the aim to renew and intensify interest in IR spectroscopy.

  15. 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

    contained regions with intensities lower than sound S2 layers up to intensity values as high as the compound middle lamella (CML). CRI revealed strong depletion of carbohydrates in RM which indicated that EB are able to utilise the carbohydrate fraction of the cell wall effectively. Raman bands assigned......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...

  16. Corrosion protection of galvanized steel and electroplating steel by decanoic acid in aqueous solution: Electrochemical impedance spectroscopy, XPS and ATR-FTIR

    Energy Technology Data Exchange (ETDEWEB)

    Lebrini, M. [Laboratoire des Procedes d' Elaboration des Revetements Fonctionnels, LSPES UMR CNRS 8008, ENSCL, BP 90108, F-59652 Villeneuve d' Ascq Cedex (France)], E-mail: mounim.lebrini@pop.ensc-lille.fr; Fontaine, G. [Laboratoire des Procedes d' Elaboration des Revetements Fonctionnels, LSPES UMR CNRS 8008, ENSCL, BP 90108, F-59652 Villeneuve d' Ascq Cedex (France); Gengembre, L. [Unite de Catalyse et Chimie du solide UMR 8181 Bat C3, USTL, F-59655 Villeneuve d' Ascq Cedex (France); Traisnel, M. [Laboratoire des Procedes d' Elaboration des Revetements Fonctionnels, LSPES UMR CNRS 8008, ENSCL, BP 90108, F-59652 Villeneuve d' Ascq Cedex (France); Lerasle, O.; Genet, N. [TOTAL France, Centre de Recherche de Solaize, Chemin du canal, BP 22, F-69360 Solaize (France)

    2009-06-15

    The inhibiting action of decanoic acid towards the corrosion behaviour of galvanized steel and electroplating steel in aqueous solution has been studied using electrochemical impedance spectroscopy (EIS) techniques. Data obtained from EIS show a frequency distribution and therefore a modelling element with frequency dispersion behaviour, a constant phase element (CPE) has been used. Results obtained revealed that decanoic acid is an effective inhibitor. The better performance was obtained in the case of electroplating steel. X-ray photoelectron spectroscopy surface analysis shows that, decanoic acid is chemisorbed on surface of galvanized steel and electroplating steel. These studies have shown that the active site for binding the film on metal surface is the anionic carboxylate head. Attenuated Total Reflectance-Fourier Transform Infrared (ATR-FTIR) spectroscopy was used to identify the nature of the deposits on the metal surface.

  17. 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)

  18. New insights into the mechanism of interaction between CO2 and polymers from thermodynamic parameters obtained by in situ ATR-FTIR spectroscopy.

    Science.gov (United States)

    Gabrienko, Anton A; Ewing, Andrew V; Chibiryaev, Andrey M; Agafontsev, Alexander M; Dubkov, Konstantin A; Kazarian, Sergei G

    2016-03-01

    This work reports new physical insights of the thermodynamic parameters and mechanisms of possible interactions occurring in polymers subjected to high-pressure CO2. ATR-FTIR spectroscopy has been used in situ to determine the thermodynamic parameters of the intermolecular interactions between CO2 and different functional groups of the polymers capable of specific interactions with sorbed CO2 molecules. Based on the measured ATR-FTIR spectra of the polymer samples subjected to high-pressure CO2 (30 bar) at different temperatures (300-340 K), it was possible to characterize polymer-polymer and CO2-polymer interactions. Particularly, the enthalpy and entropy of the formation of the specific non-covalent complexes between CO2 and the hydroxy (-OH), carbonyl (C[double bond, length as m-dash]O) and hydroxyimino ([double bond, length as m-dash]N-OH) functional groups of the polymer samples have been measured. Furthermore, the obtained spectroscopic results have provided an opportunity for the structure of these complexes to be proposed. An interesting phenomenon regarding the behavior of CO2/polymer systems has also been observed. It has been found that only for the polyketone, the value of enthalpy was negative indicating an exothermic process during the formation of the CO2-polymer non-covalent complexes. Conversely, for the polyoxime and polyalcohol samples there is a positive enthalpy determined. This is a result of the initial polymer-polymer interactions requiring more energy to break than is released during the formation of the CO2-polymer complex. The effect of increasing temperature to facilitate the breaking of the polymer-polymer interactions has also been observed. Hence, a mechanism for the formation of CO2-polymer complexes was suggested based on these results, which occurs via a two-step process: (1) the breaking of the existing polymer-polymer interactions followed by (2) the formation of new CO2-polymer non-covalent interactions.

  19. ATR-FTIR spectroscopy study of the photodegradation protective properties of BP-4 and 4HBP in polyvinyl acetate thin films

    Science.gov (United States)

    Bubev, Emil; Georgiev, Anton; Machkova, Maria

    2016-08-01

    In this paper the protective properties of 4HBP (4-hydroxybenzophenone) and BP-4 (5-benzoyl-2-hydroxy-4-methoxybenzenesulfonic acid) in polyvinyl acetate thin films have been studied. UV-irradiation on the films was applied in real humidity and inert atmosphere for 1, 2 and 4 h accelerated weathering. ATR-FTIR and UV-VIS spectroscopies have been used for qualitative and quantitative estimation of photodepletion of the UV-absorbers and photostability of polyvinyl acetate films. Both UV-absorbers have demonstrated good protective properties in inert atmosphere compared to real humidity. The mechanisms of photochemical reactions of 4HBP (4-hydroxybenzophenone) and BP-4 (5-benzoyl-2-hydroxy-4-methoxybenzenesulfonic acid) were attributed to photoenolization of carbonyl and hydroxyl groups. The experimental results demonstrated that 4HBP (4-hydroxybenzophenone) has higher protective properties than BP-4 (5-benzoyl-2-hydroxy-4-methoxybenzenesulfonic acid). The photodegradation mechanisms of polyvinyl acetate films in inert atmosphere and real humidity were assigned based on the Norrish type I and II reactions.

  20. A Study of Electrochemical Reduction of Ethylene and PropyleneCarbonate Electrolytes on Graphite Using ATR-FTIR Spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Zhuang, Guorong V.; Yang, Hui; Blizanac, Berislav; Ross Jr.,Philip N.

    2005-05-12

    We present results testing the hypothesis that there is a different reaction pathway for the electrochemical reduction of PC versus EC-based electrolytes at graphite electrodes with LiPF6 as the salt in common. We examined the reduction products formed using ex-situ Fourier Transform Infrared (FTIR) spectroscopy in attenuated total reflection (ATR) geometry. The results show the pathway for reduction of PC leads nearly entirely to lithium carbonate as the solid product (and presumably ethylene gas as the co-product) while EC follows a path producing a mixture of organic and inorganic compounds. Possible explanations for the difference in reaction pathway are discussed.

  1. Rapid Quantification of Methamphetamine: Using Attenuated Total Reflectance Fourier Transform Infrared Spectroscopy (ATR-FTIR) and Chemometrics

    Science.gov (United States)

    Hughes, Juanita; Ayoko, Godwin; Collett, Simon; Golding, Gary

    2013-01-01

    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, R2 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 R2 0.9637. Such models offer rapid and effective methods for screening illicit drug samples to determine the percentage of methamphetamine they contain. PMID:23936058

  2. 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.

  3. 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...

  4. 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…

  5. 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.

  6. 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

  7. Conservation of Moroccan manuscript papers aged 150, 200 and 800 years. Analysis by infrared spectroscopy (ATR-FTIR), X-ray diffraction (XRD), and scanning electron microscopy energy dispersive spectrometry (SEM-EDS).

    Science.gov (United States)

    Hajji, Latifa; Boukir, Abdellatif; Assouik, Jamal; Lakhiari, Hamid; Kerbal, Abdelali; Doumenq, Pierre; Mille, Gilbert; De Carvalho, Maria Luisa

    2015-02-01

    The preservation of manuscripts and archive materials is a serious problem for librarians and restorers. Paper manuscript is subjected to numerous degradation factors affecting their conservation state. This research represents an attempt to evaluate the conservation restoration process applied in Moroccan libraries, especially the alkaline treatment for strengthening weakened paper. In this study, we focused on six samples of degraded and restored paper taken from three different Moroccan manuscripts aged 150, 200 and 800 years. In addition, the Japanese paper used in restoration has been characterized. A modern paper was also analyzed as reference. A three-step analytical methodology based on infrared spectroscopy (ATR-FTIR), X-ray diffraction (XRD) and scanning electron microscopy coupled to energy dispersive spectrometry (SEM-EDS) analysis was developed before and after restoration in order to determine the effect of the consolidation treatment on the paper structure. The results obtained by XRD and ATR-FTIR disclosed the presence of barium sulfate (BaSO4) in all restored paper manuscripts. The presence of calcium carbonate (CaCO3) in all considered samples was confirmed by FTIR spectroscopy. The application of de-acidification treatment causes significant changes connected with the increase of intensity mostly in the region 1426 cm(-1), assigned to the asymmetric and symmetric CO stretching mode of calcite, indicating the effectiveness of de-acidification procedure proved by the rise of the alkaline reserve content allowing the long term preservation of paper. Observations performed by SEM magnify the typical paper morphology and the structure of fibbers, highlighting the effect of the restoration process, manifested by the reduction of impurities.

  8. 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.

  9. 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

  10. 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)

  11. 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.

  12. 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

  13. 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.

  14. 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.

  15. 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

  16. 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.

  17. 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.

  18. ATR-FTIR measurements of albumin and fibrinogen adsorption: Inert versus calcium phosphate ceramics.

    Science.gov (United States)

    Boix, Marcel; Eslava, Salvador; Costa Machado, Gil; Gosselin, Emmanuel; Ni, Na; Saiz, Eduardo; De Coninck, Joël

    2015-11-01

    Arthritis, bone fracture, bone tumors and other musculoskeletal diseases affect millions of people across the world. Nowadays, inert and bioactive ceramics are used as bone substitutes or for bone regeneration. Their bioactivity is very much dictated by the way proteins adsorb on their surface. In this work, we compared the adsorption of albumin and fibrinogen on inert and calcium phosphates ceramics (CaPs) using attenuated total reflection Fourier transform infrared spectroscopy (ATR-FTIR) to follow in situ protein adsorption on these materials. To this effect, we developed a sol-gel technique to control the surface chemistry of an ATR-FTIR detector. Hydroxyapatite adsorbed more albumin and β-tricalcium phosphate adsorbed more fibrinogen. Biphasic calcium phosphate presented the lowest adsorption among CaP for both proteins, illustrating the effect of surface heterogeneities. Inert ceramics adsorbed a lower amount of both proteins compared with bioactive ceramics. A significant change was observed in the conformation of the adsorbed protein versus the surface chemistry. Hydroxyapatite produced a larger loss of α-helix structure on albumin and biphasic calcium phosphate reduced β-sheet percentage on fibrinogen. Inert ceramics produced large α-helix loss on albumin and presented weak interaction with fibrinogen. Zirconia did not adsorb albumin and titanium dioxide promoted huge denaturalization of fibrinogen.

  19. 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

  20. 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.

  1. 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

  2. Attenuated total reflection Fourier transform infrared (ATR-FTIR) spectroscopic analysis of regenerated bone

    Science.gov (United States)

    Benetti, Carolina; Kazarain, Sergei G.; Alves, Marco A. V.; Blay, Alberto; Correa, Luciana; Zezell, Denise M.

    2014-03-01

    The cutting of bone is routinely required in medical procedures, especially in dental applications. In such cases, bone regeneration and new bone quality can determine the success of the treatment. This study investigated the main spectral differences of undamaged and healed bone using the ATR-FTIR spectroscopy technique. Three rabbits were submitted to a surgical procedure; a small piece of bone (3x3 mm2) was removed from both sides of their jaws using a high speed drill. After 15 days, the rabbits were euthanized and the jaws were removed. A bone slice was cut from each side of the jaw containing regions of undamaged and newly formed bone, resulting in six samples which were polished for spectroscopic comparison. The samples were analyzed by FTIR spectroscopy using a diamond ATR accessory. Spectral characteristics were compared and particular attention was paid to the proportion of phosphate to amide I bands and the width of the phosphate band. The results show that the ratio of phosphate to amide I is smaller in new bone tissue than in the undamaged bone, indicating a higher organic content in the newly formed bone. The analysis of the width of the phosphate band suggests a crystallinity difference between both tissues, since the width was higher in the new bone than in the natural bone. These results suggest that the differences observed in bone aging processes by FTIR spectroscopic can be applied to the study of healing processes.

  3. 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

  4. 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.

  5. 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.

  6. Dissolution of tablet-in-tablet formulations studied with ATR-FTIR spectroscopic imaging.

    Science.gov (United States)

    Wray, Patrick S; Clarke, Graham S; Kazarian, Sergei G

    2013-03-12

    This work uses ATR-FTIR spectroscopic imaging to study the dissolution of delayed release and pH resistant compressed coating pharmaceutical tablets. Tablets with an inner core and outer shell were constructed using a custom designed compaction cell. The core of the delayed release tablets consisted of hydroxypropyl methylcellulose (HPMC) and caffeine. The shell consisted of microcrystalline cellulose (MCC) and glucose. The core of the pH resistant formulations was an ibuprofen and PEG melt and the shell was constructed from HPMC and a basic buffer. UV/vis spectroscopy was used to monitor the lag-time of drug release and visible optical video imaging was used as a complementary imaging technique with a larger field of view. Two delayed release mechanisms were established. For tablets with soluble shell sections, lag-time was dependent upon rapid shell dissolution. For tablets with less soluble shells, the lag-time was controlled by the rate of dissolution medium ingress through the shell and the subsequent expansion of the wet HPMC core. The pH resistant formulations prevented crystallization of the ibuprofen in the core during dissolution despite an acidic dissolution medium. FTIR imaging produced important information about the physical and chemical processes occurring at the interface between tablet sections during dissolution. PMID:23291036

  7. Cellulose acetate-lithium bis(trifluoromethanesulfonyl)imide solid polymer electrolyte: ATR-FTIR and ionic conductivity behavior

    Science.gov (United States)

    Mohd Razalli, Siti Masyitah; Sheikh Mohd Saaid, Siti Irma Yuana; Marwan Ali, Ab Malik; Hassan, Oskar Hasdinor; Yahya, Muhd Zu Azhan

    2015-05-01

    Solid polymer electrolytes (SPEs) based on cellulose acetate (CA) doped with lithium bis(trifluoromethanesulfonyl)imide (LiTFSI) salt are prepared by solution cast technique. Attenuated total reflectance-Fourier transform infrared (ATR-FTIR) spectroscopy of the polymer salt complexes are recorded in the frequency range between 400 cm-1 and 4000 cm-1. The shifting of carbonyl band (C=O) at 1737 cm-1 to a lower wavenumber confirms the occurrence of complexation between the polymer and the salt. The electrochemical impedance spectroscopy (EIS) analysis discovered that the film with 25 wt.% of salt shows the highest ionic conductivity at room temperature. The change in real dielectric permittivity (ɛr) as a function of frequency at different salt concentrations which exhibits a dispersive behavior at low frequencies and decays at higher frequencies, shows the electrode polarization and space charge effect. The real modulus formalism (Mr) analysis shows that the polymer electrolytes in this work are ionic conductors.

  8. 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)

  9. 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.

  10. 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

  11. Molecular level investigations of phosphate sorption on corundum (α-Al2O3) by 31P solid state NMR, ATR-FTIR and quantum chemical calculation

    Science.gov (United States)

    Li, Wei; Pierre-Louis, Andro-Marc; Kwon, Kideok D.; Kubicki, James D.; Strongin, Daniel R.; Phillips, Brian L.

    2013-04-01

    Phosphate sorption at the corundum (α-Al2O3)/water interface was investigated as a function of phosphate concentration (0.1-1 mM) and pH (3-11) by 31P solid state NMR spectroscopy, ATR-FTIR, and quantum chemical calculation. The 31P NMR spectra indicate that under these experimental conditions phosphate adsorbs onto corundum mainly as inner-sphere complexes that yield a peak at δP = -2.8 ppm with full width at half maximum (FWHM) of 9.2 ppm, with a small amount aluminum phosphate surface precipitates as suggested by an NMR signal observed from δP = -12 to -20 ppm. We employed 31P{27Al} rotational echo adiabatic passage double resonance (REAPDOR) to further analyze the phosphate adsorption samples prepared at pH 5 and 9 in order to determine the phosphate/Al coordination. To aid interpretation of the NMR data, a series of bidentate and monodentate structural models of phosphate adsorbed on corundum (0 0 1) and (0 1 2) surfaces were calculated using density function theory (DFT). By comparing the experimental REAPDOR curves and those simulated from these models, we can assign the dominant peaks to bidentate binuclear surface complexes. Formation of bidentate binuclear surface complexes is supported by the ATR/FTIR spectra combined with DFT calculation, which further suggests a mixture of non-protonated bidentate and mono-protonated bidentate surface complexes on the corundum surface at pH 5. At pH 9, both NMR and ATR/FTIR indicate the formation of bidentate surface complexes on corundum surface.

  12. 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.

  13. 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

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

    Energy Technology Data Exchange (ETDEWEB)

    Cha, Wansik; Jung, Euo Chang; Cho, Hyeryun; Park, Yangsoon; Ha, Yeongkeong [Korea Atomic Energy Research Institute, Daejeon (Korea, Republic of)

    2014-05-15

    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){sup 3+} to that of UOx{sup 2+} 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)n{sup 4-2n} (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.

  15. In situ ATR-FTIR study of the early stages of fly ash geopolymer gel formation.

    Science.gov (United States)

    Rees, Catherine A; Provis, John L; Lukey, Grant C; van Deventer, Jannie S J

    2007-08-14

    The kinetics of geopolymer formation are monitored using a novel in situ attenuated total reflectance Fourier transform infrared (ATR-FTIR) spectroscopic technique. Reaction rates are determined from the intensity variation of the bands related to the geopolymer gel network and the unreacted fly ash particles. Comparison with deuterated geopolymer samples provides critical information regarding peak assignments. An initial induction (lag) period is observed to occur for hydroxide-activated geopolymers, followed by gel evolution according to an approximately linear reaction profile. The length of the lag period is reduced by increasing the concentration of NaOH. An increase in the rate of network formation also occurs with increasing NaOH concentration up to a maximum point, beyond which an increased NaOH concentration leads to a reduced rate of network formation. This trend is attributed to the competing effects of increased alkalinity and stronger ion pairing with an increase in NaOH concentration. In situ analysis also shows that the rate of fly ash dissolution is similar for all moderate- to high-alkali geopolymer slurries, which is attributed to the very highly water-deficient nature of these systems and is contrary to predictions from classical glass dissolution chemistry. This provides for the first time detailed kinetic information describing fly ash geopolymer formation kinetics.

  16. 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.

  17. 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

    2016-01-01

    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.

  18. Surface interactions of aromatic organoarsenical compounds with hematite nanoparticles using ATR-FTIR: kinetic studies.

    Science.gov (United States)

    Arts, Derek; Abdus Sabur, Md; Al-Abadleh, Hind A

    2013-03-14

    Aromatic organoarsenicals p-arsanilic acid (pAsA) and roxarsone (ROX) are used as feed additives in developing countries that allow the use of arsenic-containing compounds in their poultry industry. These compounds are introduced to the environment through the application of contaminated poultry litter. Little is known about the surface chemistry of these organoarsenicals on the molecular level with reactive components in soils. We report herein the first in situ and surface-sensitive rapid kinetic studies on the adsorption and desorption of pAsA to/from hematite nanoparticles at pH 7 using ATR-FTIR. Values for the apparent initial rates of adsorption and desorption were extracted from experimental data as a function of spectral components. Hydrogen phosphate was used as a desorbing agent due to its ubiquitous presence in litter, and its adsorption kinetics was investigated on surfaces with and without surface arsenic. Initial first-order pseudo-adsorption rate constant for pAsA was lower by a factor of 1.6 than that of iAs(V), suggesting an average behavior for the formation of quantitatively more weakly bonded monodentate or hydrogen-bonded complexes for the former relative to strongly bonded bidentate surface complexes for the latter under our experimental conditions. Initial first-order pseudo-adsorption rate constants for hydrogen phosphate decrease in this order: fresh hematite > pAsA/hematite ≈ phenylarsonic acid (PhAs)/hematite > iAs/hematite by factors 1.5 and 3 relative to fresh films, respectively. Initial desorption kinetics of aromatic organoarsenicals due to flowing hydrogen phosphate proceed with a nonunity overall order, suggesting a complex mechanism, which is consistent with the existence of more than one type of surface complexes. The impact of our studies on the environmental fate and transport of aromatic organoarsenicals in geochemical environments and their overall surface chemistry with iron (oxyhyr)oxides is discussed.

  19. 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。

  20. SAXS and ATR-FTIR studies on EBT-TSX mixtures in their sol-gel phases.

    Science.gov (United States)

    Hirun, Namon; Rugmai, Supagorn; Sangfai, Tanatchaporn; Tantishaiyakul, Vimon

    2012-11-01

    Our previous study demonstrated that mixtures of tamarind seed xyloglucan (TSX) with appropriate concentrations of eriochrome black T (EBT) produced a gel that could be of benefit for medical use. Here, the sol-gel systems of various fresh and aged mixtures were further investigated using rheological measurements. The nanostructural changes of EBT-TSX sol-gel phases were analyzed using SAXS. The interactions between EBT and TSX in the sol and gel states were examined using ATR-FTIR. SAXS data analysis demonstrated that the mixture containing lower concentration of EBT formed rod-like structures and that with higher concentrations of EBT produced flat particles. The sizes of the TSX structures from the aged mixtures in the gel stage were larger than those from the same mixtures in the sol state. ATR-FTIR spectral changes revealed that the azo and sulfonic acid groups of EBT interacted with the TSX, and the characteristic spectrum of the sulfonic acid group of EBT could discriminate between the sol and gel state of the EBT-TSX systems. The interactions between EBT and TSX may cause conformational changes to TSX and facilitate the sol-gel transition or formation of a gel.

  1. Evaluation of low trans fat edible oils by attenuated total reflection-Fourier transform infrared spectroscopy and gas chromatography: a comparison of analytical approaches.

    Science.gov (United States)

    Tyburczy, Cynthia; Mossoba, Magdi M; Fardin-Kia, Ali Reza; Rader, Jeanne I

    2012-08-01

    Current interest by the food industry in exploring reformulation options that lower the content of trans fat in edible fats and oils requires methods to accurately measure low levels of trans fat. In the present study, the quantitation of trans fat in 25 edible fat and oil samples was evaluated using two current analytical approaches, attenuated total reflection-Fourier transform infrared spectroscopy (ATR-FTIR), and gas chromatography with flame ionization detection (GC-FID) according to Official Methods of the American Oil Chemists' Society. Significant differences between the ATR-FTIR and reference GC-FID quantitations were found for samples with a trans fat content fat. These discrepancies could be explained, in part, by the presence of certain oil constituents (e.g., vitamins, carotenoids, high levels of saturated fat) that produced absorbance bands at or near 966 cm(-1) in the ATR-FTIR spectra, a region that was previously identified as being characteristic of isolated trans double bonds. Results demonstrate that the natural content of such oil constituents could result in significant overestimations of trans fat when ATR-FTIR is used to analyze edible fats and oils with a trans fat content fat.

  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. ATR-FTIR study of water in Nafion membrane combined with proton conductivity measurements during hydration/dehydration cycle.

    Science.gov (United States)

    Kunimatsu, Keiji; Bae, Byungchan; Miyatake, Kenji; Uchida, Hiroyuki; Watanabe, Masahiro

    2011-04-21

    We have conducted combined time-resolved attenuated total reflection Fourier transform infrared (ATR-FTIR) and proton conductivity measurements of Nafion NRE211 membrane during hydration/dehydration cycles at room temperature. Conductivity change was interpreted in terms of different states of water in the membrane based on its δ(HOH) vibrational spectra. It was found that hydration of a dry membrane leads first to complete dissociation of the sulfonic acid groups to liberate hydrated protons, which are isolated from each other and have δ(HOH) vibrational frequency around 1740 cm(-1). The initial hydration is not accompanied by a significant increase of the proton conductivity. Further hydration gives rise to a rapid increase of the conductivity in proportion to intensity of a new δ(HOH) band around 1630 cm(-1). This was interpreted in terms of formation of channels of weakly hydrogen-bonded water to combine the isolated hydrophilic domains containing hydrated protons and hydrated sulfonate ions produced during the initial stage of hydration. Upon dehydration, proton conductivity drops first very rapidly due to loss of the weakly hydrogen bonded water from the channels to leave hydrophilic domains isolated in the membrane. Dehydration of the protons proceeds very slowly after significant loss of the proton conductivity.

  5. 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

  6. Infrared vibrational spectroscopy: a rapid and novel diagnostic and monitoring tool for cystinuria

    Science.gov (United States)

    Oliver, Katherine V.; Vilasi, Annalisa; Maréchal, Amandine; Moochhala, Shabbir H.; Unwin, Robert J.; Rich, Peter R.

    2016-01-01

    Cystinuria is the commonest inherited cause of nephrolithiasis (~1% in adults; ~6% in children) and is the result of impaired cystine reabsorption in the renal proximal tubule. Cystine is poorly soluble in urine with a solubility of ~1 mM and can readily form microcrystals that lead to cystine stone formation, especially at low urine pH. Diagnosis of cystinuria is made typically by ion-exchange chromatography (IEC) detection and quantitation, which is slow, laboursome and costly. More rapid and frequent monitoring of urinary cystine concentration would significantly improve the diagnosis and clinical management of cystinuria. We used attenuated total reflection - Fourier transform infrared spectroscopy (ATR-FTIR) to detect and quantitate insoluble cystine in 22 cystinuric and 5 healthy control urine samples. Creatinine concentration was also determined by ATR-FTIR to adjust for urinary concentration/dilution. Urine was centrifuged, the insoluble fraction re-suspended in 5 μL water and dried on the ATR prism. Cystine was quantitated using its 1296 cm−1 absorption band and levels matched with parallel measurements made using IEC. ATR-FTIR afforded a rapid and inexpensive method of detecting and quantitating insoluble urinary cystine. This proof-of-concept study provides a basis for developing a high-throughput, cost-effective diagnostic method for cystinuria, and for point-of-care clinical monitoring PMID:27721432

  7. 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

  8. 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

    2016-03-30

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

  9. 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

  10. 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].

  11. 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)

  12. 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.

  13. 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.

  14. 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)

  15. 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.

  16. 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

  17. New organic single crystal of (benzylthio)acetic acid: Synthesis, crystal structure, spectroscopic (ATR-FTIR, 1H and 13C NMR) and thermal characterization

    Science.gov (United States)

    Sienkiewicz-Gromiuk, Justyna; Tarasiuk, Bogdan; Mazur, Liliana

    2016-04-01

    (Benzylthio)acetic acid (Hbta) was synthesized with 78% yield from benzyl chloride and thiourea as substrates. Well-shaped crystals of Hbta were grown by slow solvent evaporation technique from pure methanol. The compound was investigated by single-crystal X-ray and powder diffraction techniques and was also characterized by other analytical methods, like ATR-FTIR, 1H and 13C NMR and TG/DSC. The acid molecule adopts bent conformation in the solid state. The crystal structure of Hbta is stabilized by numerous intermolecular interactions, including O-H···O, C-H···O, C-H···S and C-H···π contacts. Thermal decomposition of the obtained material takes place above 150 °C.

  18. 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

  19. 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 ...

  20. In situ study of the photodegradation of carbofuran deposited on TiO2 film under UV light, using ATR-FTIR coupled to HS-MCR-ALS.

    Science.gov (United States)

    Atifi, Abderrahman; Czarnecki, Kazimierz; Mountacer, Hafida; Ryan, Michael D

    2013-08-01

    The in situ study of the photodegradation of carbofuran deposited on a TiO2 catalyst film under UV light was carried out using the ATR-FTIR technique. The data were analyzed using a Hard-Soft Multivariate Curve Resolution-Alternating Least Squares (HS-MCR-ALS) methodology. Using S-MCR-ALS, four factors were deduced from the evolving factor analysis of the data, and their concentrations and spectra were determined. These results were used to draw qualitative and quantitative analyses of the major products of carbofuran photodegradation. The results of this analysis were in good agreement with GC-MS results and with reported mechanisms. Hard-MCR-ALS was then used to refine the spectra and concentrations, using a multistep kinetic model. The rate constant for the first step in the photodegradation of carbofuran was found to be 2.9 × 10(-3) min(-1). The higher magnitude of the correlation (96.87%), the explained variance (99.87%) and LOF (3.01), are good indicators of the reliability of the outcome of this approach. This method has been shown to be an efficient approach to study in situ photodegradation of pesticides on a solid surface.

  1. 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.

  2. Glyphosate complexation to aluminium(III). An equilibrium and structural study in solution using potentiometry, multinuclear NMR, ATR-FTIR, ESI-MS and DFT calculations.

    Science.gov (United States)

    Purgel, Mihály; Takács, Zoltán; Jonsson, Caroline M; Nagy, Lajos; Andersson, Ingegärd; Bányai, István; Pápai, Imre; Persson, Per; Sjöberg, Staffan; Tóth, Imre

    2009-11-01

    The stoichiometries and stability constants of a series of Al(3+)-N-phosponomethyl glycine (PMG/H(3)L) complexes have been determined in acidic aqueous solution using a combination of precise potentiometric titration data, quantitative (27)Al and (31)P NMR spectra, ATR-FTIR spectrum and ESI-MS measurements (0.6M NaCl, 25 degrees C). Besides the mononuclear AlH(2)L(2+), Al(H(2)L)(HL), Al(HL)(2)(-) and Al(HL)L(2-), dimeric Al(2)(HL)L(+) and trinuclear Al(3)H(5)L(4)(2+) complexes have been postulated. (1)H and (31)P NMR data show that different isomers co-exist in solution and the isomerization reactions are slow on the (31)P NMR time scale. The geometries of monomeric and dimeric complexes likely double hydroxo bridged and double phosphonate bridged isomers have been optimized using DFT ab initio calculations starting from rational structural proposals. Energy calculations using the PCM solvation method also support the co-existence of isomers in solutions.

  3. 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.

  4. 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.

  5. Sample classification for improved performance of PLS models applied to the quality control of deep-frying oils of different botanic origins analyzed using ATR-FTIR spectroscopy.

    Science.gov (United States)

    Kuligowski, Julia; Carrión, David; Quintás, Guillermo; Garrigues, Salvador; de la Guardia, Miguel

    2011-01-01

    The selection of an appropriate calibration set is a critical step in multivariate method development. In this work, the effect of using different calibration sets, based on a previous classification of unknown samples, on the partial least squares (PLS) regression model performance has been discussed. As an example, attenuated total reflection (ATR) mid-infrared spectra of deep-fried vegetable oil samples from three botanical origins (olive, sunflower, and corn oil), with increasing polymerized triacylglyceride (PTG) content induced by a deep-frying process were employed. The use of a one-class-classifier partial least squares-discriminant analysis (PLS-DA) and a rooted binary directed acyclic graph tree provided accurate oil classification. Oil samples fried without foodstuff could be classified correctly, independent of their PTG content. However, class separation of oil samples fried with foodstuff, was less evident. The combined use of double-cross model validation with permutation testing was used to validate the obtained PLS-DA classification models, confirming the results. To discuss the usefulness of the selection of an appropriate PLS calibration set, the PTG content was determined by calculating a PLS model based on the previously selected classes. In comparison to a PLS model calculated using a pooled calibration set containing samples from all classes, the root mean square error of prediction could be improved significantly using PLS models based on the selected calibration sets using PLS-DA, ranging between 1.06 and 2.91% (w/w).

  6. 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...

  7. 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.

  8. Modeling for proximate analysis and heating value of torrefied biomass with vibration spectroscopy.

    Science.gov (United States)

    Via, Brian K; Adhikari, Sushil; Taylor, Steve

    2013-04-01

    The goal of this study was to characterize the changes in biomass with torrefaction for near infrared reflectance (NIR) and attenuated total reflectance Fourier transform infrared (ATR-FTIR) spectroscopy for sweetgum, loblolly pine, and switchgrass. Calibration models were built for the prediction of proximate analysis after torrefaction. Two dimensional (2D) correlation spectroscopy between NIR and FTIR was found to precisely explain the depolymerization at key functional groups located within hemicellulose, cellulose, and lignin. This novel 2D technique also demonstrated the possibility of assigning key NIR wavenumbers based on mid IR spectra. Hemicellulose based wavenumbers were found to be most sensitive to torrefaction severity with complete degradation at 250-275°C. Lignin associated wavenumbers exhibited the least degradation to severity but was still detected with 2D correlation spectroscopy. Finally, calibration models for proximate analysis were performed and while both systems could be used for rapid monitoring, NIR performed better than FTIR.

  9. 二维衰减全反射红外光谱研究水在聚酰亚胺/二氧化硅纳米高分子复合膜中的吸附扩散行为%Two-dimensional ATR-FTIR Spectroscopic Study on the Water Diffusion Behavior in Polyimide/Silica Nanocomposite

    Institute of Scientific and Technical Information of China (English)

    沈怡; 王海涛; 钟伟; 武培怡

    2006-01-01

    考虑到基于聚酰亚胺衍生物的电子器件的稳定性和性能,运用二维衰减全反射红外相关光谱研究了水在聚酰亚胺衍生物:poly(4'4-oxydiphenylene pyromellitimide)和二氧化硅的纳米高分子复合膜中的动态吸附和扩散行为.二维相关光谱区分出了三种不同氢键强度的水分子状态,同时,氢键的数量和强度还对不同状态水分子的扩散速率起了决定性的作用,和PI聚合物本身以及PI表面残留的硅酸形成氢键的水分子的扩散速度则最慢.%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.

  10. 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...

  11. Differentiation of walnut wood species and steam treatment using ATR-FTIR and partial least squares discriminant analysis (PLS-DA).

    Science.gov (United States)

    Hobro, Alison J; Kuligowski, Julia; Döll, Markus; Lendl, Bernhard

    2010-11-01

    Wood is a ubiquitous material used in everyday life. Accurate identification of species can be of importance in a historical context enabling appropriate conservation treatment and adequate choice of material to be applied to historic wooden objects, and in a more modern context, in the identification of forgeries. Wood is also often treated to improve certain physical characteristics, often strength and durability. However, determination of whether or not a piece of wood has been treated can be very difficult. Infrared spectroscopy has previously been applied to differentiate between different wood species or between treated and untreated wood, often in conjunction with chemometric analysis techniques. Here, we report the use of mid-IR spectroscopy, coupled with partial least squares discriminant analysis for the discrimination between two walnut wood species and to differentiate between steam-treated and untreated samples of each of these wood species. We show that the discrimination between species and between steam-treated and non-steam-treated wood from Juglans nigra is very clear and, while analysis of the quality of the discrimination between steam-treated and non-steam-treated J. regia samples is not as good, it is, nevertheless, sufficient for discrimination between the two groups with a statistical significance of P < 0.0001.

  12. Adsorption and oxidation of formaldehyde on a polycrystalline Pt film electrode: An in situ IR spectroscopy search for adsorbed reaction intermediates.

    Science.gov (United States)

    Jusys, Zenonas; Behm, R Jürgen

    2014-01-01

    As part of a mechanistic study of the electrooxidation of C1 molecules we have systematically investigated the dissociative adsorption/oxidation of formaldehyde on a polycrystalline Pt film electrode under experimental conditions optimizing the chance for detecting weakly adsorbed reaction intermediates. Employing in situ IR spectroscopy in an attenuated total reflection configuration (ATR-FTIRS) with p-polarized IR radiation to further improve the signal-to-noise ratio, and using low reaction temperatures (3 °C) and deuterium substitution to slow down the reaction kinetics and to stabilize weakly adsorbed reaction intermediates, we could detect an IR absorption band at 1660 cm(-1) characteristic for adsorbed formyl intermediates. This assignment is supported by an isotope shift in wave number. Effects of temperature, potential and deuterium substitution on the formation and disappearance of different adsorbed species (COad, adsorbed formate, adsorbed formyl), are monitored and quantified. Consequences on the mechanism for dissociative adsorption and oxidation of formaldehyde are discussed.

  13. Noninvasive biochemical monitoring of physiological stress by Fourier transform infrared saliva spectroscopy.

    Science.gov (United States)

    Khaustova, Svetlana; Shkurnikov, Maxim; Tonevitsky, Evgeny; Artyushenko, Viacheslav; Tonevitsky, Alexander

    2010-12-01

    Physical stress affects the immune system, activates the sympathetic (SNS) and parasympathetic (PNS) subsystems of autonomic nervous system (ANS), and increases the activity of the hypothalamic-pituitary-adrenal axis (HPA). The specific response of the major regulatory systems depends on the human functional state. Saliva is a unique diagnostic fluid, the composition of which immediately reflects the SNS, PNS, HPA and immune system response to stress. A new method of saliva biomarker determination by Attenuated Total Reflection Fourier-Transform Infrared (ATR FTIR) spectroscopy has been developed to monitor the exercise induced metabolic changes in saliva from male endurance athletes. The method has been tested using a group of professional athletes by analysing saliva samples collected before and after the exercise, and the saliva composition monitoring by ATR FTIR spectroscopy was shown to be suitable for real-time checking of response to stress.

  14. 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...

  15. 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.

  16. 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

  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. Adsorption and oxidation of formaldehyde on a polycrystalline Pt film electrode: An in situ IR spectroscopy search for adsorbed reaction intermediates

    Directory of Open Access Journals (Sweden)

    Zenonas Jusys

    2014-05-01

    Full Text Available As part of a mechanistic study of the electrooxidation of C1 molecules we have systematically investigated the dissociative adsorption/oxidation of formaldehyde on a polycrystalline Pt film electrode under experimental conditions optimizing the chance for detecting weakly adsorbed reaction intermediates. Employing in situ IR spectroscopy in an attenuated total reflection configuration (ATR-FTIRS with p-polarized IR radiation to further improve the signal-to-noise ratio, and using low reaction temperatures (3 °C and deuterium substitution to slow down the reaction kinetics and to stabilize weakly adsorbed reaction intermediates, we could detect an IR absorption band at 1660 cm−1 characteristic for adsorbed formyl intermediates. This assignment is supported by an isotope shift in wave number. Effects of temperature, potential and deuterium substitution on the formation and disappearance of different adsorbed species (COad, adsorbed formate, adsorbed formyl, are monitored and quantified. Consequences on the mechanism for dissociative adsorption and oxidation of formaldehyde are discussed.

  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. Influence of magnetic fields on the hydration process of amino acids: vibrational spectroscopy study of L-phenylalanine and L-glutamine.

    Science.gov (United States)

    De Ninno, Antonella; Congiu Castellano, Agostina

    2014-02-01

    Attenuated total reflectance Fourier transform infrared (ATR-FTIR) spectroscopy has been used to investigate the effect of weak electromagnetic fields on the structure of L-glutamine (L-Gln) and L-phenylalnine (L-Phe) in aqueous solution. It has been found that the exposure to a DC field or a 50 Hz AC field, for a short time induces modifications in the spectra of exposed samples in agreement with our preceding observations on glutamic acid. Furthermore, the acid-base equilibrium has been investigated by using the ratio of the intensity of the deprotonated on protonated species. In the case of L-Phe, the exposure induces a measurable shift of acid dissociation constant pKa1 out of the experimental errors, while in case of L-Gln, the effect is under the limit detectable with this method. The phenomenon of the shift of the acid-base equilibrium has been connected elsewhere to modification of the water-water hydrogen bonds in the water around both the backbone and the residue (R). Here we suggest that the magnetic field modifies the water structure around the molecules and changes the hydrophobic interactions allowing the molecules of amino acids to aggregate. The differences observed in the behavior of L-Phe and L-Gln may be related to the differences in the polarity of their residues.

  1. 红外光谱技术在淀粉粒有序结构分析中的应用%Applications of Infrared Spectroscopy in the Analysis of Ordered Structure of Starch Grain

    Institute of Scientific and Technical Information of China (English)

    满建民; 蔡灿辉; 严秋香; 胡茂志; 刘巧泉; 韦存虚

    2012-01-01

    Fourier transform infrared spectroscopy (FTIR) is used to study the ordered structure of starch grain, which has two modes: transmittance and attenuated total reflectance (ATR). In this paper, the different deconvolution parameters of spectra were applied to compare their effects on FTIR spectra in studying the ordered structure of starch grain. The results indicated that the different deconvolution parameters had significant effects on FTTR spectra and the intensities of relative peaks. The peak half-width of 19 cm-1 and the resolution enhancement factor of 1.9 were ideal deconvolution parameters of spectra to obtain the better results. Native starches had A, B, and C three types of crystalline, their FTIR spectra showed some differences. Potato and Chinese yam starches had similar ATR-FTIR spectra, which were different from that of rice starch. However, rice and potato starches had similar transmittance-FTIR spectra, which were different from that of Chinese yam starch. The water content of sample affected the spectra of ATR-FTIR, but this effect was not detected when water content exceeded 60%. The ATR-FTIR spectra showed that the hydrolysis of amorphous structure in starch grain was faster than that of ordered structure during acid treatment. The ordered degree of structure in starch grain increased with increasing time of acid hydrolysis. The amyloglucosidase hydrolysis had no significant effect on the ordered degree of structure at the outside of starch grain by the ATR-FTIR spectra, but the ordered degree of structure of whole starch grain significantly increased with enzyme hydrolysis according to the transmittance-FTIR spectra. The amylose content is an important physicochemical property in determining the starch quality. Rice starches with different amylose contents showed the similar ATR-FTIR spectra. These results would be very useful for the application of FTIR to the analysis of ordered structure of starch grain.%傅里叶变换红外光谱技术(FTIR

  2. 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

  3. 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

  4. 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.

  5. 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.

  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. 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.

  10. 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...

  11. Supercontinuum based mid-IR imaging spectroscopy for cancer detection

    DEFF Research Database (Denmark)

    Bang, Ole; Møller, Uffe Visbech; Kubat, Irnis;

    2014-01-01

    The mid-infrared (IR) spectral region is of significant technical and scientific interest because most molecules display fundamental vibrational absorptions in this region, leaving distinct spectral fingerprints. To date, the limitations of mid-IR light sources, such as thermal emitters, low...... cancer detection with mid-IR imaging spectroscopy....

  12. In vivo detection of dysplastic tissue by Raman spectroscopy

    NARCIS (Netherlands)

    Schut, TCB; Witjes, MJH; Sterenborg, HJCM; Speelman, OC; Roodenburg, JLN; Marple, ET; Bruining, HA; Puppels, GJ

    2000-01-01

    The detection of dysplasia and early cancer is important because of the improved survival rates associated with early treatment of cancer. Raman spectroscopy is sensitive to the changes in molecular composition and molecular conformation that occur in tissue during carcinogenesis, and recent develop

  13. Optical heterodyne detected velocity modulation molecular ionic spectroscopy

    Institute of Scientific and Technical Information of China (English)

    CHEN Guanglong; YANG Xiaohua; YING Xuping; LIU Gang; HUANG Yunxia; CHEN Yangqin

    2004-01-01

    Optical heterodyne detected velocity modulation molecular ionic spectroscopy is presented and employed to observe the rovibrantional spectra of and That the lineshape of OH-VMS is of the second derivative of Gaussian profile and its sensitivity is 3.5×10-8 are theoretically analyzed, and they are both in good agreement with our experimental results.

  14. 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)

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

    Science.gov (United States)

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

    2015-11-01

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

  16. 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.

  17. Attenuated total reflectance Fourier transform infrared spectroscopy method to differentiate between normal and cancerous breast cells.

    Science.gov (United States)

    Lane, Randy; See, Seong S

    2012-09-01

    Attenuated total reflectance Fourier transform infrared spectroscopy (ATR-FTIR) is used to find the structural differences between cancerous breast cells (MCF-7 line) and normal breast cells (MCF-12F line). Gold nanoparticles were prepared and the hydrodynamic diameter of the gold nanoparticles found to be 38.45 nm. The Gold nanoparticles were exposed to both MCF-7 and MCF-12F cells from lower to higher concentrations. Spectroscopic studies founds nanoparticles were within the cells, and increasing the nanoparticles concentration inside the cells also resulted in sharper IR peaks as a result of localized surface Plasmon resonance. Asymmetric and symmetric stretching and bending vibrations between phosphate, COO-, CH2 groups were found to give negative shifts in wavenumbers and a decrease in peak intensities when going from noncancerous to cancerous cells. Cellular proteins produced peak assignments at the 1542 and 1644 cm(-1) wavenumbers which were attributed to the amide I and amide II bands of the polypeptide bond of proteins. Significant changes were found in the peak intensities between the cell lines in the spectrum range from 2854-2956 cm(-1). Results show that the concentration range of gold nanoparticles used in this research showed no significant changes in cell viability in either cell line. Therefore, we believe ATR-FTIR and gold nanotechnology can be at the forefront of cancer diagnosis for some time to come.

  18. 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.

  19. 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

  20. 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

  1. 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.

  2. Electrochemical impedance spectroscopy biosensor for detection of active botulinum neurotoxin

    Directory of Open Access Journals (Sweden)

    Jennifer Halliwell

    2014-12-01

    Full Text Available The standard method for the detection of botulinum neurotoxin is currently the mouse bioassay which is considered to be the most reliable method for the detection of the active form of this toxin. Despite this it is a time-consuming and expensive assay to run and as such many alternative assays have recently been proposed. Herein we report the development of two electrochemical assays for the detection of active botulinum neurotoxin in a pharmaceutical sample. Gold electrodes were modified with self-assembled monolayers of the SNARE protein SNAP-25 which is selectively cleaved by active botulinum neurotoxin A. Cyclic voltammetry and electrochemical impedance spectroscopy were performed on the modified working electrodes to observe changes to the layer on addition of the toxin. Both methods were able to distinguish the difference between the presence of the active toxin and a placebo containing the excipients of the pharmaceutical product. The electrochemical impedance spectroscopy assay also allowed for detection of the active toxin at concentrations as low as 25 fg/ml, with results being obtained in under an hour outperforming the mouse bioassay.

  3. Botulinum Neurotoxin Serotypes Detected by Electrochemical Impedance Spectroscopy

    Science.gov (United States)

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

    2015-01-01

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

  4. Botulinum Neurotoxin Serotypes Detected by Electrochemical Impedance Spectroscopy

    Directory of Open Access Journals (Sweden)

    Alison C. Savage

    2015-05-01

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

  5. 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...

  6. 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.

  7. 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)

  8. 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)

  9. 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.

  10. 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

  11. Aqueous Cu(II)-organic complexation studied in situ using soft X-ray and vibrational spectroscopies.

    Science.gov (United States)

    Phillips, Courtney L; Regier, Tom Z; Peak, Derek

    2013-12-17

    In situ aqueous solutions containing copper-ligand mixtures were measured at the Cu L-edge using X-ray absorption near edge structure (XANES) and with attenuated total reflectance infrared (ATR-FTIR) spectroscopies. Copper complexation with environmentally relevant ligands such as EDTA, citrate, and malate provided a bridge between spectroscopic studies and general environmental behavior and will allow for future study of complex environmental samples. XANES results show that the lowest unoccupied molecular orbital (LUMO) energy is governed by the ligand field strength and is related to Lewis acid/base properties of the ligand functional groups. Complementary ATR-FTIR studies confirmed the importance of water molecules in the structure of these Cu-ligand complexes and provided in-depth structural analysis to support the XANES data. Copper-malate is shown to have a 5/6-O-ring structure, and Cu-ethylenediaminetetraacetate has pentadentate coordination. Cu L-edge XANES also revealed direct Cu-N coordination in these aqueous solutions with amide functional groups.

  12. 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

  13. 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

  14. 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}.

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

    Science.gov (United States)

    Chen, Shao-Wen; Liu, Ren-Bao

    2014-01-01

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

  16. 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)

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

    Science.gov (United States)

    Adamson, Teagan L.; Cook, Curtiss B.

    2014-01-01

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

  18. 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.

  19. Millimeter Wave Spectroscopy for Breast Cancer Diagnostics and Detection

    Science.gov (United States)

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

    2009-03-01

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

  20. Noninvasive skin fluorescence spectroscopy for detection of abnormal glucose tolerance

    Directory of Open Access Journals (Sweden)

    Edward L. Hull, PhD

    2014-09-01

    Full Text Available The ENGINE study evaluated noninvasive skin fluorescence spectroscopy (SFS for detection of abnormal glucose tolerance (AGT. The AGT detection performance of SFS was compared to fasting plasma glucose (FPG and hemoglobin A1C (A1C. The study was a head-to-head comparison of SFS to FPG and A1C in an at-risk population of 507 subjects, with no prior diagnosis of diabetes, each of whom received a 75 g, two-hour oral glucose tolerance test (OGTT. Subjects were measured by SFS on multiple days in fasting and non-fasting states. SFS data were acquired and analyzed with the SCOUT DS® device (VeraLight, Albuquerque, NM, USA. Disease truth was AGT, defined as OGTT ≥ 7.8 mmol/L. Sensitivity, false positive rate (FPR, ROC area, and equal error rate (EER for detection of AGT were computed. The reproducibility of SFS and FPG was assessed. The AGT sensitivity of SFS at the device's recommended screening threshold of 50 was 75.2%, higher than that of FPG (thresholds of 5.6 mmol/L or 6.1 mmol/L and A1C (thresholds of 5.7% or 6.0%. The SFS FPR was 42.1%, comparable to an A1C threshold of 5.7% (FPR = 43.5%. The EERs of SFS, FPG and A1C were similar, as were the partial ROC areas for FPRs of 20–50%. The reproducibility of SFS was 7.7% versus 8.1% for FPG. SFS had similar AGT detection performance to FPG and A1C and is a viable alternative to screening individuals for AGT.

  1. Detection of phenolic compounds using impedance spectroscopy measurements.

    Science.gov (United States)

    Olivati, Clarissa A; Riul, Antonio; Balogh, Débora T; Oliveira, Osvaldo N; Ferreira, Marystela

    2009-01-01

    Langmuir-Blodgett (LB) and layer-by-layer films (LbL) of a PPV (p-phenylenevinylene) derivative, an azo compound and tetrasulfonated phthalocyanines were successfully employed as transducers in an "electronic tongue" system for detecting trace levels of phenolic compounds in water. The choice of the materials was based on their distinct electrical natures, which enabled the array to establish a fingerprint of very similar liquids. Impedance spectroscopy measurements were taken in the frequency range from 10 Hz to 1 MHz, with the data analysed with principal component analysis (PCA). The sensing units were obtained from five-layer LB films of (poly[(2-methoxy-5-n-hexyloxy)-p-phenylenevinylene]), OC(1)OC(18)-PPV (poly(2-methoxy,5-(n-octadecyl)-p-phenylenevinylene)), DR (HEMA-co-DR13MA (poly-(hydroxyethylmethacrylate-co-[4'-[[2-(methacryloyloxy)-ethyl]ethylamino]-2-chloro-4-nitroazobenzene]))) and five-bilayer LbL films of tetrasulfonated metallic phthalocyanines deposited onto gold interdigitated electrodes. The sensors were immersed into phenol, 2-chloro-4-methoxyphenol, 2-chlorophenol and 3-chlorophenol (isomers) solutions at 1 x 10(-9) mol L(-1), with control experiments carried out in ultra pure water. Samples could be distinguished if the principal component analysis (PCA) plots were made with capacitance values taken at 10(3) Hz, which is promising for detection of trace amounts of phenolic pollutants in natural water. PMID:18408956

  2. 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

  3. 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.

  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. Attenuated Total Reflectance-Fourier Transform Infrared Spectroscopy on Intact Dried Leaves of Sage (Salvia officinalis L.): Accelerated Chemotaxonomic Discrimination and Analysis of Essential Oil Composition.

    Science.gov (United States)

    Gudi, Gennadi; Krähmer, Andrea; Krüger, Hans; Schulz, Hartwig

    2015-10-01

    Sage (Salvia officinalis L.) is cultivated worldwide for its aromatic leaves, which are used as herbal spice, and for phytopharmaceutical applications. Fast analytical strategies for essential oil analysis, performed directly on plant material, would reduce the delay between sampling and analytical results. This would enhance product quality by improving technical control of cultivation. The attenuated total reflectance-Fourier transform infrared spectroscopy (ATR-FTIR) method described here provides a reliable calibration model for quantification of essential oil components [EOCs; R(2) = 0.96; root-mean-square error of cross-validation (RMSECV) = 0.249 mL 100 g(-1) of dry matter (DM); and range = 1.115-5.280 mL 100 g(-1) of DM] and main constituents [e.g., α-thujone/β-thujone; R(2) = 0.97/0.86; RMSECV = 0.0581/0.0856 mL 100 g(-1) of DM; and range = 0.010-1.252/0.005-0.893 mL 100 g(-1) of DM] directly on dried intact leaves of sage. Except for drying, no further sample preparation is required for ATR-FTIR, and the measurement time of less than 5 min per sample contrasts with the most common alternative of hydrodistillation followed by gas chromatography analysis, which can take several hours per sample.

  6. 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.

  7. Detection of Biological Materials Using Ion Mobility Spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

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

    1999-03-01

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

  8. 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.

  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. 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.

  11. 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.

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

    DEFF Research Database (Denmark)

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

    2014-01-01

    X-ray absorption spectroscopy (XAS) can provide detailed insight into the electronic and geometric structures of transition-metal active sites in metalloproteins and chemical catalysts. However, standard XAS spectra inherently represent an average contribution from the entire coordination...

  13. 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

  14. 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)

  15. 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 qualitative detection of chemical contaminants in food ingredients and products. For quantitative imaging-based detection, each contaminant particle in a food sample must be detected and it is important to determine the necessary sp...

  16. 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...

  17. Detection of Uranium Oxides by μ-Raman Spectroscopy

    Institute of Scientific and Technical Information of China (English)

    ZHU; Hai-qiao; ZHANG; Qian-ci; LUO; Zhong-yan; LIU; Quan-wei

    2013-01-01

    Raman spectroscopy is a useful instrumentation with great advantages,which can offer rapid,simple,reproducible,nondestructive qualitative and quantitative analysis,and compounds characterization.It has already been used in the fields of industry,scientific research and cultural heritages protection to get information of the materials.

  18. IR spectroscopy together with multivariate data analysis as a process analytical tool for in-line monitoring of crystallization process and solid-state analysis of crystalline product

    DEFF Research Database (Denmark)

    Pöllänen, Kati; Häkkinen, Antti; Reinikainen, Satu-Pia;

    2005-01-01

    Crystalline product should exist in optimal polymorphic form. Robust and reliable method for polymorph characterization is of great importance. In this work, infra red (IR) spectroscopy is applied for monitoring of crystallization process in situ. The results show that attenuated total reflection...... Fourier transform infra red (ATR-FTIR) spectroscopy provides valuable information on process, which can be utilized for more controlled crystallization processes. Diffuse reflectance Fourier transform infra red (DRIFT-IR) is applied for polymorphic characterization of crystalline product using X...... techniques provide the powerful tool for rapid evaluation of spectral data and also enable more reliable quantification of polymorphic composition of samples being mixtures of two or more polymorphs. This opens new perspectives for understanding crystallization processes and increases the level of safety...

  19. 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.

  20. Organic and inorganic content of fluorotic rat incisors measured by FTIR spectroscopy

    Science.gov (United States)

    Porto, Isabel Maria; Saiani, Regina Aparecida; Chan, K. L. Andrew; Kazarian, Sergei G.; Gerlach, Raquel Fernanda; Bachmann, Luciano

    2010-09-01

    Details on how fluoride interferes in enamel mineralization are still controversial. Therefore, this study aimed at analyzing the organic contents of fluorosis-affected teeth using Fourier Transformation Infrared spectroscopy. To this end, 10 male Wistar rats were divided into two groups: one received 45 ppm fluoride in distilled water for 60 days; the other received distilled water only. Then, the lower incisors were removed and prepared for analysis by two FTIR techniques namely, transmission and micro-ATR. For the first technique, the enamel was powdered, whereas in the second case one fluorotic incisor was cut longitudinally for micro-ATR. Using transmission and powdered samples, FTIR showed a higher C-H content in the fluorotic enamel compared with control enamel ( p < 0.05, n = 4 in the flurotic, and n = 5 in the control group). Results from the micro-ATR-FTIR spectroscopic analysis on one longitudinally cut incisor carried out at six points reveal a higher C-H bond content at the surface of the enamel, with values decreasing toward the dentine-enamel junction, and reaching the lowest values at the subsuperficial enamel. These results agree with the morphological data, which indicate that in the rat incisor the fluorotic lesion is superficial, rather than subsuperficial, as in the case of human enamel. The results also suggest that the increased C-H bond content may extend toward the more basal enamel (intraosseous), indicating that fluorotic enamel may intrinsically contain more protein. Finally, particularly when coupled to ATR, FTIR is a suitable tool to study the rat incisor enamel, which is a largely used model of normal and abnormal amelogenesis. Further studies along this line may definitely answer some questions regarding protein content in fluorotic enamel as well as their origin.

  1. 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.

  2. Time domain PD-detection vs. dielectric spectroscopy

    DEFF Research Database (Denmark)

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

    1997-01-01

    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...

  3. 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.

  4. 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

  5. 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.

  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. 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...

  8. 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...

  9. 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.

  10. 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.

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

    Science.gov (United States)

    He, Hai-Tao; Marguet, Didier

    2011-05-01

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

  12. 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.

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

    Science.gov (United States)

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

    2014-03-01

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

  14. Beam synchronous detection techniques for X-Ray spectroscopy

    Science.gov (United States)

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

    2013-03-01

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

  15. 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

  16. Photoacoustic spectroscopy for fast and sensitive ammonia detection

    Institute of Scientific and Technical Information of China (English)

    Wang Zhang; Zhiying Wu; Qingxu Yu

    2007-01-01

    A photoacoustic (PA) spectrometer with H-type first longitudinal resonant cells for ammonia detection is developed. A new PA cell structure is designed to accelerate the drift velocity of the sample gas near the cell surface, so that the short response time at the flow rate of 100 sccm (standard cubic centimeter per minute) is achieved. The response time of 5 min and detection limit of 0.86 ppbv is reached for ammonia concentration measurement with a Teflon polytetrafluoroethylene (PTFE) cell. Further improvement could be expected when using a brass cell with a high quality Teflon fluorinated ethylene propylene (FEP) coating.

  17. Time resolved laser-induced breakdown spectroscopy for calcium concentration detection in water

    Institute of Scientific and Technical Information of China (English)

    WU Jiang-lai; LU Yuan; Li Ying; CHENG Kai; GUO Jin-jia; ZHENG Rong-er

    2011-01-01

    @@ The laser induced breakdown spectroscopy (LIBS) is an element analysis technique with the advantages of real time detection, simultaneous multi-element identification, and in-situ and stand-off capacities.To evaluate its potential of ocean applications, in this paper, the time resolved laser-induced breakdown spectroscopy for calcium concentration detection in water is investigated.With the optimum experimental parameters, the plasma emission lifetime is determined to be about 500 ns with 532 nm laser excitation, and 1000 ns with 1064 nm laser excitation.The lowest detection concentration of 50ppm is achieved for calcium detection in CaC12 water solution using the 532 nm LIBS.Even better detection sensitivity is achieved using the 1064 nm LIBS, and the resulted lowest detection concentration of calcium is 25 ppm.The results suggest that it is feasible to develop LIBS as an on-line sensor for metal element monitoring in the sea.

  18. 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...

  19. 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.

  20. 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.

  1. 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

  2. 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.

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

    Science.gov (United States)

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

    2011-04-27

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

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

    Science.gov (United States)

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

    2015-11-16

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

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

    Science.gov (United States)

    Tahari, Abdel Kader

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

  6. 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

  7. 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...

  8. 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.

  9. 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.

  10. 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.

  11. Radiation detection system for portable gamma-ray spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Rowland, Mark S. (Alamo, CA); Howard, Douglas E. (Livermore, CA); Wong, James L. (Dublin, CA); Jessup, James L. (Tracy, CA); Bianchini, Greg M. (Livermore, CA); Miller, Wayne O. (Livermore, CA)

    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.

  12. 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....

  13. 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.

  14. Femtosecond Laser-Induced Breakdown Spectroscopy for Detection of Trace Elements in Sophora Leaves

    Institute of Scientific and Technical Information of China (English)

    Myriam Bossu; HAO Zuo-Qiang; Matthieu Baudelet; YU Jia; ZHANG Zhe; ZHANG Jie

    2007-01-01

    Sophora leaves from several areas in Beijing are analysed by femtoeecond laser-induced breakdown spectroscopy (femto-LIBS).AIthough the used spectral detection systemis not time-resolved,thespectral lines of trace mineral elements are detected and anallyed.It is proven that the femto-LIBS can be an effcient method to detect mineral trace elements contained in tree leaves which is a biomonitor for atmospheric pollution assessment or botanic studies.An interesting case of correlation between trace elements detected in tree leaves and the pollution of the concerned area is presented,for the first time to our knowledge.

  15. 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).

  16. 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.

  17. 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...

  18. Detection of Potential Induced Degradation in c-Si PV Panels Using Electrical Impedance Spectroscopy

    DEFF Research Database (Denmark)

    Oprea, Matei-lon; Spataru, Sergiu; Sera, Dezso;

    2016-01-01

    Impedance spectroscopy (IS) is an established characterization method in different electrical and chemical research areas, but not yet adopted as a commercial diagnostic tool for PV panels. This work, for the first time, proposes an IS based method for detecting potential-induced degradation (PID...

  19. Detection of Potential Induced Degradation in c-Si PV Panels Using Electrical Impedance Spectroscopy

    DEFF Research Database (Denmark)

    Oprea, Matei-lon; Spataru, Sergiu; Sera, Dezso;

    This work, for the first time, investigates an Impedance Spectroscopy (IS) based method for detecting potential-induced degradation (PID) in crystalline silicon photovoltaic (c-Si PV) panels. The method has been experimentally tested on a set of panels that were confirmed to be affected by PID by...

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

    DEFF Research Database (Denmark)

    Wang, Tianwu; Iwaszczuk, Krzysztof; Wrisberg, Emil Astrup;

    2016-01-01

    ), and linearity of detection have been characterized. Moreover, the performance of a photomultiplier tube (PMT) and an avalanche photodiode (APD) as photodetector in the ABCD have been compared. We have observed nonlinear behavior of PMT detector, which leads to artificial gain factor in TDS spectroscopy. The APD...

  1. 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

  2. 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...

  3. 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.

  4. 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.

  5. 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.

  6. 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

  7. 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.

  8. 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

    2016-02-19

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

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

    Science.gov (United States)

    Marshall, Craig P; Marshall, Alison Olcott

    2014-12-13

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

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

    Science.gov (United States)

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

    2016-05-01

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

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

    Science.gov (United States)

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

    2013-05-01

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

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

    Science.gov (United States)

    Nikodem, Michał

    2016-05-16

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

  13. 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.

  14. 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

  15. 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.

  16. 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

  17. 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.

  18. 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.

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

    Science.gov (United States)

    Zhang, Yu; Wang, Yi-Ding; Li, Li; Zheng, Chuan-Tao; An, Yu-Peng; Song, Zhen-Yu

    2008-11-01

    There has been considerable interest recently in methane sensor based on infrared absorption spectroscopy for industrial detection and environment monitoring. The present paper presents the intensites of methane mid-infrared fundamental absorption bands, near-infrared combination band of v2 + 2v3 and overtone band of 2v3, and it was found that the absorption strengths of fundamental bands are two orders of magnitude higher than those of overtone bands and three orders of magnitude higher than those of the combinations. Theoretically, mid-infrared detection system is much better. However, because the near-infrared source and detector are more maturely developed and cheaper, near-infrared technology is widely used. Furthermore, the near-infrared radiation can be transmitted through ordinary low-loss silica fiber, suitable for long-distance methane sensing system, meeting the needs of industrial mining and other aspects. But with the development of mid-infrared detector and high-power high-sensitivity devices, low priced micro sensor modules will be more and more developed. The development of optical methane sensors is reported in this paper. Several detection technologies were investigated such as differential absorption, harmonic detection, cavity spectroscopy enhancement and photoacoustic spectroscopy. The theoretical formula, sensitivity and system structure of these technologies are presented. PMID:19271479

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

    Science.gov (United States)

    Chai, Changhoon; Takhistov, Paul

    2010-01-01

    The real-time detection of trace concentrations of biological toxins requires significant improvement of the detection methods from those reported in the literature. To develop a highly sensitive and selective detection device it is necessary to determine the optimal measuring conditions for the electrochemical sensor in three domains: time, frequency and polarization potential. In this work we utilized a time-resolved electrochemical impedance spectroscopy for the detection of trace concentrations of Staphylococcus enterotoxin B (SEB). An anti-SEB antibody has been attached to the nano-porous aluminum surface using 3-aminopropyltriethoxysilane/glutaraldehyde coupling system. This immobilization method allows fabrication of a highly reproducible and stable sensing device. Using developed immobilization procedure and optimized detection regime, it is possible to determine the presence of SEB at the levels as low as 10 pg/mL in 15 minutes. PMID:22315560

  1. 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.

  2. [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

  3. 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...

  4. Scanning elastic scattering spectroscopy detects metastatic breast cancer in sentinel lymph nodes

    OpenAIRE

    Austwick, M. R.; Clark, B.; Mosse, C. A.; K. Johnson; Chicken, D.W.; Somasundaram, S.K.; Calabro, K. W.; Zhu, Y.; Falzon, M.; Kocjan, G; Fearn, T.; Bown, S. G.; Bigio, I. J.; Keshtgar, M.R.S.

    2010-01-01

    A novel method for rapidly detecting metastatic breast cancer within excised sentinel lymph node(s) of the axilla is presented. Elastic scattering spectroscopy (ESS) is a point-contact technique that collects broadband optical spectra sensitive to absorption and scattering within the tissue. A statistical discrimination algorithm was generated from a training set of nearly 3000 clinical spectra and used to test clinical spectra collected from an independent set of nodes. Freshly excised nodes...

  5. 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 ...

  6. 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...

  7. Heterodyne phase-sensitive detection for calibration-free molecular dispersion spectroscopy.

    Science.gov (United States)

    Martín-Mateos, Pedro; Acedo, Pablo

    2014-06-16

    In this paper, a technique for molecular dispersion spectroscopy based on heterodyne phase-sensitive detection is presented. The method offers immunity to fluctuations of the received optical power and an output linearly dependent of the gas concentration. Besides this, an analytical model for the propagation of light in gaseous samples has been developed enabling calibration-free operation. The proposed architecture has been tested and experimentally validated using methane as target gas. PMID:24977607

  8. 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...

  9. 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...

  10. 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.

  11. 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.

  12. Wavelength modulation spectroscopy--digital detection of gas absorption harmonics based on Fourier analysis.

    Science.gov (United States)

    Mei, Liang; Svanberg, Sune

    2015-03-20

    This work presents a detailed study of the theoretical aspects of the Fourier analysis method, which has been utilized for gas absorption harmonic detection in wavelength modulation spectroscopy (WMS). The lock-in detection of the harmonic signal is accomplished by studying the phase term of the inverse Fourier transform of the Fourier spectrum that corresponds to the harmonic signal. The mathematics and the corresponding simulation results are given for each procedure when applying the Fourier analysis method. The present work provides a detailed view of the WMS technique when applying the Fourier analysis method.

  13. 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

    Gas hydrates are solid crystalline compounds, which grow from micro crystals to bulk masses resembling ordinary slush, snow or ice. Since gas hydrates exist at elevated pressures at temperatures well above the ice point, they can cause severe problems under production and transportation...... of 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....

  14. Logarithmic conversion of absorption detection in wavelength modulation spectroscopy with a current-modulated diode laser.

    Science.gov (United States)

    Wang, Yuntao; Cai, Haiwen; Geng, Jianxin; Fang, Zujie

    2009-07-20

    Logarithmic-conversion data processing used in wavelength modulation spectroscopy (WMS) with a current-modulated diode laser as its source is analyzed and compared with second-to-first ratio detection. Analytic Fourier coefficients of logarithmic-converted residual amplitude modulation (RAM) of a light source are given. An experimental setup for methane absorption detection at 1650 nm is described. It is shown theoretically and experimentally that logarithmic-converted WMS cannot only eliminate the fluctuation of received light power, but also improve the signal-to-noise ratio significantly. PMID:19623220

  15. 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.

  16. Electrochemical impedance spectroscopy in chromatography paper and its application to latex bead detection

    Science.gov (United States)

    Iwahara, Shohei; Miki, Masashi; Hori, Fumitaka; Uno, Shigeyasu

    2014-01-01

    The principle of the quantitative immunochromatographic strip test (IST) is proposed. Electrochemical impedance spectroscopy is shown to be capable of detecting latex beads in chromatography paper, where latex beads can serve as a label in IST. Measurements to examine the impedance changes in the absence and presence of latex beads are conducted. In the presence of latex beads, an increase of 12.5% in the bulk solution resistance is observed. This indicates that the latex-bead-labeled antigen-antibody complex can be detected electrochemically by actual IST.

  17. 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.

  18. 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.

  19. Precision of Raman Spectroscopy Measurements in Detection of Microcalcifications in Breast Needle Biopsies

    Science.gov (United States)

    Saha, Anushree; Barman, Ishan; Dingari, Narahara Chari; Galindo, Luis H.; Sattar, Abdus; Liu, Wendy; Plecha, Donna; Klein, Nina; Dasari, Ramachandra Rao; Fitzmaurice, Maryann

    2012-01-01

    Microcalcifications are an early mammographic sign of breast cancer and a target for stereotactic breast needle biopsy. We developed Raman spectroscopy decision algorithms to detect breast microcalcifications, based on fit coefficients (FC) derived by modeling tissue Raman spectra as a linear combination of the Raman spectra of 9 chemical and morphologic components of breast tissue. However, little or no information is available on the precision of such measurements and its effect on the ability of Raman spectroscopy to make predictions for breast microcalcification detection. Here we report the precision, that is, the closeness of agreement between replicate Raman spectral measurements - and the model FC derived from them - obtained ex vivo from fresh breast biopsies from patients undergoing stereotactic breast needle biopsy, using a compact clinical Raman system. The coefficients of variation of the model FC averaged 0.03 for normal breast tissue sites, 0.12 for breast lesions without and 0.22 for breast lesions with microcalcifications. Imprecision in the FC resulted in diagnostic discordance among replicates only for line-sitters, that is, tissue sites with FC values near the decision line or plane. The source of this imprecision and their implications for the use of Raman spectroscopy for guidance of stereotactic breast biopsies for microcalcifications are also discussed. In summary, we conclude that the precision of Raman spectroscopy measurements in breast tissue obtained using our compact clinical system is more than adequate to make accurate and repeatable predictions of microcalcifications in breast tissue using decision algorithms based on model FC. This provides strong evidence of the potential of Raman spectroscopy guidance of stereotactic breast needle biopsies for microcalcifications. PMID:22746329

  20. Detection and Identification System of Bacteria and Bacterial Endotoxin Based on Raman Spectroscopy

    Directory of Open Access Journals (Sweden)

    Muhammad Elsayeh

    2016-03-01

    Full Text Available Sepsis is a global health problem that causes risk of death. In the developing world, about 60 to 80 % of death cases are caused by Sepsis. Rapid methods for detecting its causes, represent one of the major factors that may reduce Sepsis risks. Such methods can provide microbial detection and identification which is critical to determine the right treatment for the patient. Microbial and Pyrogen detection is important for quality control system to ensure the absence of pathogens and Pyrogens in the manufacturing of both medical and food products. Raman spectroscopes represent a q uick and accurate identification and detection method, for bacteria and bacterial endotoxin, which this plays an important role in delivering high quality biomedical products using the power of Raman spectroscopy. It is a rapid method for chemical structure detection that can be used in identifying and classifying bacteria and bacterial endotoxin. Such a method acts as a solution for time and cost effective quality control procedures. This work presents an automatic system based on Raman spectroscopy to detect and identify bacteria and bacterial endotoxin. It uses the frequency properties of Raman scattering through the interaction between organic materials and electromagnetic waves. The scattered intensities are measured and wave number converted into frequency, then the cepstral coefficients are extracted for both the detection and identification. The methodology depends on normalization of Fourier transformed cepstral signal to extract their classification features. Experiments’ results proved effective identification and detection of bacteria and bacterial endotoxin even with concentrations as low as 0.0003 Endotoxin unit (EU/ml and 1 Colony Forming Unit (CFU/ml using signal processing based enhancement technique.

  1. 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

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

    Science.gov (United States)

    Chao, Kuanglin; Dhakal, Sagar; Qin, Jianwei; Kim, Moon; Bae, Abigail

    2016-05-01

    Raman spectroscopy technique has proven to be a reliable method for qualitative detection of chemical contaminants in food ingredients and products. For quantitative imaging-based detection, each contaminant particle in a food sample must be detected and it is important to determine the necessary spatial resolution needed to effectively detect the contaminant particles. This study examined the effective spatial resolution required for detection of maleic acid in tapioca starch and benzoyl peroxide in wheat flour. Each chemical contaminant was mixed into its corresponding food powder at a concentration of 1% (w/w). Raman spectral images were collected for each sample, leveled across a 45 mm x 45 mm area, using different spatial resolutions. Based on analysis of these images, a spatial resolution of 0.5mm was selected as effective spatial resolution for detection of maleic acid in starch and benzoyl peroxide in flour. An experiment was then conducted using the 0.5mm spatial resolution to demonstrate Raman imaging-based quantitative detection of these contaminants for samples prepared at 0.1%, 0.3%, and 0.5% (w/w) concentrations. The results showed a linear correlation between the detected numbers of contaminant pixels and the actual concentrations of contaminant.

  3. 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.

  4. 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.

  5. 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

  6. 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.

  7. 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.

  8. 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

    MG human brain cancer. Dynamic magnetic resonance imaging (MRI) with the low-molecular-weight contrast agent, gadolinium diethylenetriaminepentaacetic acid (GdDTPA), was used to evaluate tumor vascular parameters. Carbon-13-labeled TMZ ([C-13]TMZ, 99%) was intraperitoneally administered at a dose...... experiments demonstrated slower recovery of MRI signal following an intravenous bolus injection of GdDTPA, higher vascular flow and volume obtained by T-2*-weighted MRI, as well as enhanced uptake of the contrast agent in the brain tumor compared with normal brain detected by T-1-weighted MRI. These data...... 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...

  9. 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.

  10. 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

  11. [Detection of benzoyl peroxide in wheat flour by NIR diffuse reflectance spectroscopy technique].

    Science.gov (United States)

    Zhang, Zhi-yong; Li, Gang; Liu, Hai-xue; Lin, Ling; Zhang, Bao-ju; Wu, Xiao-rong

    2011-12-01

    Adding benzoyl peroxide (BPO) into wheat flour was prohibited by the relevant government departments since May 1, 2011. And it is of great importance to detect BPO additive amount in wheat flour quickly and accurately. Part of BPO which was added into wheat flour will be deoxidized into benzoic acid, and this make it complex to detect the original BPO additive amount. The objective of the present research is to investigate the potential of NIR diffuse reflectance spectroscopy as a way for measurement of BPO original adding amount in wheat flour. A total of 133 wheat flour samples were prepared by adding different content of BPO into pure wheat flour. Spectra data were obtained by NIR spectrometer and then denoised by wavelet transform. Ninety seven samples were taken as calibration set and other 36 samples as prediction set. Partial least squares regression (PLSR) was applied to establish the calibration model between BPO original adding contents and the spectra data. The determination coefficient of model for the calibration set is 0.8901, and root mean squared error of calibration (RMSEC) is 40.85 mg x kg(-1). The determination coefficient for the prediction set is 0.8865, and root mean squared error of prediction (RMSEP) is 44.69 mg x kg(-1). The result indicates that it is feasible to detect the BPO adding contents in wheat flour by NIR diffuse reflectance spectroscopy technique and this technique has the potential to measure some other additives in food.

  12. 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.

  13. 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.

  14. [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

  15. 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.

  16. Functional cerebral activation detected by frequency-domain near-infrared spectroscopy

    Science.gov (United States)

    Toronov, Vladislav Y.; Webb, Andrew G.; Choi, Jee H.; Wolf, Martin; Safonova, Larisa P.; Wolf, Ursula; Gratton, Enrico

    2002-07-01

    The aim of our study was to explore the possibility of detecting haemodynamic changes in the brain using frequency- domain near-IR spectroscopy by exploiting the phase of the intensity modulated optical signal. To obtain optical signals with eh highest possible signal-to-noise ratio, we performed simultaneous NIRS-fMRI measurements, with subsequent correlation of the time courses of both measurements. The cognitive paradigm used arithmetic calculations, with optical signals acquired with sensors placed on the forehead. In three subjects we demonstrated correlation between the haemodynamic signals obtained using NIRS and BOLD fMRI.

  17. Detection of orange juice frauds using front-face fluorescence spectroscopy and Independent Components Analysis.

    Science.gov (United States)

    Ammari, Faten; Redjdal, Lamia; Rutledge, Douglas N

    2015-02-01

    The aim of this study was to find simple objective analytical methods to assess the adulteration of orange juice by grapefruit juice. The adulterations by addition of grapefruit juice were studied by 3D-front-face fluorescence spectroscopy followed by Independent Components Analysis (ICA) and by classical methods such as free radical scavenging activity and total flavonoid content. The results of this study clearly indicate that frauds by adding grapefruit juice to orange juice can be detected at percentages as low as 1%.

  18. 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.

  19. Detection and quantification of hogwash oil in soybean oils using low-cost spectroscopy and chemometrics

    Science.gov (United States)

    Mignani, A. G.; Ciaccheri, L.; Mencaglia, A. A.; Cichelli, A.; Xing, J.; Yang, X.; Sun, W.; Yuan, L.

    2013-05-01

    This paper presents the detection and quantification of hogwash oil in soybean oils by means of absorption spectroscopy. Three types of soybean oils were adulterated with different concentrations of hogwash oil. The spectra were measured in the visible band using a white LED and a low-cost spectrometer. The measured spectra were processed by means of multivariate analysis to distinguish the adulteration and, for each soybean oil, to quantify the adulterant concentration. Then the visible spectra were sliced into two bands for modeling a simple setup made of two LEDs only. The successful results indicate potentials for implementing a smartphone-compatible device for self-assessment of soybean oil quality.

  20. Raman spectroscopy as a potential tool for detection of Brucella spp. in milk.

    Science.gov (United States)

    Meisel, Susann; Stöckel, Stephan; Elschner, Mandy; Melzer, Falk; Rösch, Petra; Popp, Jürgen

    2012-08-01

    Detection of Brucella, causing brucellosis, is very challenging, since the applied techniques are mostly time-demanding and not standardized. While the common detection system relies on the cultivation of the bacteria, further classical typing up to the biotype level is mostly based on phenotypic or genotypic characteristics. The results of genotyping do not always fit the existing taxonomy, and misidentifications between genetically closely related genera cannot be avoided. This situation gets even worse, when detection from complex matrices, such as milk, is necessary. For these reasons, the availability of a method that allows early and reliable identification of possible Brucella isolates for both clinical and epidemiological reasons would be extremely useful. We evaluated micro-Raman spectroscopy in combination with chemometric analysis to identify Brucella from agar plates and directly from milk: prior to these studies, the samples were inactivated via formaldehyde treatment to ensure a higher working safety. The single-cell Raman spectra of different Brucella, Escherichia, Ochrobactrum, Pseudomonas, and Yersinia spp. were measured to create two independent databases for detection in media and milk. Identification accuracies of 92% for Brucella from medium and 94% for Brucella from milk were obtained while analyzing the single-cell Raman spectra via support vector machine. Even the identification of the other genera yielded sufficient results, with accuracies of >90%. In summary, micro-Raman spectroscopy is a promising alternative for detecting Brucella. The measurements we performed at the single-cell level thus allow fast identification within a few hours without a demanding process for sample preparation.

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

    Science.gov (United States)

    Sollit, Luke S.; Beegle, Luther W.

    2008-01-01

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

  2. 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.

  3. 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.

  4. 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.

  5. BUBBLY: A method for detecting and characterizing interstellar bubbles using Fabry-Perot spectroscopy

    CERN Document Server

    Camps-Fariña, Artemi; Beckman, John E; Font, Joan; García-Lorenzo, Begoña; Erroz-Ferrer, Santiago; Amram, Philippe

    2014-01-01

    We present a new method for the detection and characterization of expansion in galaxy discs based on H{\\alpha} Fabry-Perot spectroscopy, taking advantage of the high spatial and velocity resolution of our instrument (GH{\\alpha}FaS). The method analyses multi-peaked emission line profiles to find expansion along the line of sight on a point-by-point basis. At this stage we have centred our attention on the large scale structures of expanding gas associated with HII regions which show a characteristic pattern of expansion velocities, of order 100 km/s, as a result of both bubble shape and projection effects. We show an example of the expansion map obtained with our method from a superbubble detected in the Antennae galaxies. We use the information obtained from the method to measure the relevant physical parameters of the superbubbles, including their ages which can be used to date young star clusters.

  6. 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

  7. 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.

  8. 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.

  9. 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)

  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. Saliva analysis combining membrane protein purification with surface-enhanced Raman spectroscopy for nasopharyngeal cancer detection

    Science.gov (United States)

    Feng, Shangyuan; Lin, Duo; Lin, Juqiang; Huang, Zufang; Chen, Guannan; Li, Yongzeng; Huang, Shaohua; Zhao, Jianhua; Chen, Rong; Zeng, Haishan

    2014-02-01

    A method for saliva analysis combining membrane protein purification with silver nanoparticle-based surface-enhanced Raman spectroscopy (SERS) for non-invasive nasopharyngeal cancer detection was present in this paper. In this method, cellulose acetate membrane was used to obtain purified whole proteins from human saliva while removing other native saliva constituents and exogenous substances. The purified proteins were mixed with silver nanoparticle for SERS analysis. A diagnostic accuracy of 90.2% can be achieved by principal components analysis combined with linear discriminate analysis, for saliva samples obtained from patients with nasopharyngeal cancer (n = 62) and healthy volunteers (n = 30). This exploratory study demonstrated the potential for developing non-invasive, rapid saliva SERS analysis for nasopharyngeal cancer detection.

  12. 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.

  13. 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;

    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...... 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...... frequencies (0.04–0.1 Hz) had higher precision and statistically more power than in very low frequencies (0.003–0.04 Hz). In conclusion, a reliable detection of cerebral autoregulation takes hours and the precision is improved by adjusting for variabilityABP between repeated measurements....

  14. 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.

  15. 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.

  16. 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)

  17. 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)

  18. 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.

  19. 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.

  20. Rapid Non-destructive Detection for Molds Colony of Paddy Rice Based on Near Infrared Spectroscopy

    Institute of Scientific and Technical Information of China (English)

    Zhang Qiang; Liu Cheng-hai; Sun Jing-kun; Cui Yi-juan; Li Qun; Jia Fu-guo; Zheng Xian-zhe

    2014-01-01

    Near infrared spectrometer technology under a wavelength range of 918-1045 nm was used to rapidly detect paddy rice that was stored at 5℃, 15℃ and 25℃. A total of 121 paddy rice samples were collected from artificial infection with moulds to build the calibration models to calculate the total number colony of moulds based on the principal component regression method and multiple linear regression method. The results of statistical analysis indicated that multiple linear regression method was applicable to the detection of the total number colony of moulds. The correlation of calibration data set was 0.943. The correlation of prediction data set was 0.897. Therefore, the result showed that near infrared spectroscopy could be a useful instrumental method for determining the total number colony of moulds in paddy rice. The near infrared spectroscopy methodology could be applied for monitoring mould contamination in postharvest paddy rice during storage and might become a powerful tool for monitoring the safety of the grain.

  1. Feasibility of surface-enhanced Raman spectroscopy for rapid detection of aflatoxins in maize.

    Science.gov (United States)

    Lee, Kyung-Min; Herrman, Timothy J; Bisrat, Yordanos; Murray, Seth C

    2014-05-14

    Rapid and sensitive surface-enhanced Raman spectroscopy (SERS) for aflatoxin detection was employed for development of the models to classify and quantify aflatoxin levels in maize at concentrations of 0 to 1,206 μg/kg. Highly effective SERS substrate (Ag nanosphere) was prepared and mixed with a sample extract for SERS measurement. Strong Raman bands associated with aflatoxins and changes in maize kernels induced by aflatoxin contamination were observed in different SERS spectroscopic regions. The k-nearest neighbors (KNN) classification model yielded high classification accuracy and lower prediction error with no misclassification of contaminated samples as aflatoxin negative. The multiple linear regression (MLR) models showed a higher predictive accuracy with stronger correlation coefficients (r = 0.939-0.967) and a higher sensitivity with lower limits of detection (13-36 μg/kg) and quantitation (44-121 μg/kg) over other quantification models. Paired sample t test exhibited no statistically significant difference between the reference values and the predicted values of SERS in most chemometric models. The proposed SERS method would be a more effective and efficient analytical tool with a higher accuracy and lower constraints for aflatoxin analysis in maize compared to other existing spectroscopic methods and conventional Raman spectroscopy.

  2. 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.

  3. Towards a low-cost mobile subcutaneous vein detection solution using near-infrared spectroscopy.

    Science.gov (United States)

    Juric, Simon; Flis, Vojko; Debevc, Matjaz; Holzinger, Andreas; Zalik, Borut

    2014-01-01

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

  4. Rapid detection of talcum powder in tea using FT-IR spectroscopy coupled with chemometrics.

    Science.gov (United States)

    Li, Xiaoli; Zhang, Yuying; He, Yong

    2016-01-01

    This paper investigated the feasibility of Fourier transform infrared transmission (FT-IR) spectroscopy to detect talcum powder illegally added in tea based on chemometric methods. Firstly, 210 samples of tea powder with 13 dose levels of talcum powder were prepared for FT-IR spectra acquirement. In order to highlight the slight variations in FT-IR spectra, smoothing, normalize and standard normal variate (SNV) were employed to preprocess the raw spectra. Among them, SNV preprocessing had the best performance with high correlation of prediction (RP = 0.948) and low root mean square error of prediction (RMSEP = 0.108) of partial least squares (PLS) model. Then 18 characteristic wavenumbers were selected based on a hybrid of backward interval partial least squares (biPLS) regression, competitive adaptive reweighted sampling (CARS) algorithm and successive projections algorithm (SPA). These characteristic wavenumbers only accounted for 0.64% of the full wavenumbers. Following that, 18 characteristic wavenumbers were used to build linear and nonlinear determination models by PLS regression and extreme learning machine (ELM), respectively. The optimal model with RP = 0.963 and RMSEP = 0.137 was achieved by ELM algorithm. These results demonstrated that FT-IR spectroscopy with chemometrics could be used successfully to detect talcum powder in tea. PMID:27468701

  5. 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.

  6. Aptamer-based biosensor for label-free detection of ethanolamine by electrochemical impedance spectroscopy.

    Science.gov (United States)

    Liang, Gang; Man, Yan; Jin, Xinxin; Pan, Ligang; Liu, Xinhui

    2016-09-14

    A label-free sensing assay for ethanolamine (EA) detection based on G-quadruplex-EA binding interaction is presented by using G-rich aptamer DNA (Ap-DNA) and electrochemical impedance spectroscopy (EIS). The presence of K(+) induces the Ap-DNA to form a K(+)-stabilized G-quadruplex structure which provides binding sites for EA. The sensing mechanism was further confirmed by circular dichroism (CD) spectroscopy and EIS measurement. As a result, the charge transfer resistance (RCT) is strongly increased as demonstrated by using the ferro/ferricyanide ([Fe(CN)6](3-/4-)) as a redox probe. Under the optimized conditions, a linear relationship between ΔRCT and EA concentration was obtained over the range of 0.16 nM and 16 nM EA, with a detection limit of 0.08 nM. Interference by other selected chemicals with similar structure was negligible. Analytical results of EA spiked into tap water and serum by the sensor suggested the assay could be successfully applied to real sample analysis. With the advantages of high sensitivity, selectivity and simple sensor construction, this method is potentially suitable for the on-site monitoring of EA contamination.

  7. 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.

  8. 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

  9. 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.

  10. 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.

  11. 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.

  12. 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.

  13. 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

  14. 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.

  15. 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

  16. 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

  17. 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.

  18. 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

  19. 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

  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. Raman spectroscopy: a diagnostic tool for detection of early malignant changes in the larynx

    Science.gov (United States)

    Stone, Nicholas; Stavroulaki, Pelagia; Kendall, Catherine A.; Birchall, Martin; Barr, Hugh

    2000-05-01

    The incidence of laryngeal cancer has risen progressively over the last 25 years. Early diagnosis and treatment of premalignant lesions of the larynx is vital to prevent progression to invasive squamous cell carcinoma. In the larynx, it has long been recognized that histological evidence of maturation abnormality is associated with a higher risk of transformation to malignancy. Currently, it is extremely difficult if not impossible for the clinician to ascertain the level of abnormality present without removing a biopsy sample and sending it for histopathological analysis. Inherent risks with this technique include damage to vocal chords and loss of speech quality as well as possible selection of unrepresentative biopsy samples. Raman spectroscopy, incorporated into an endoscopic system, has the potential to provide a real-time, non-invasive diagnostic technique able to detect biochemical changes that accompany abnormal pathology. Likely outcomes would be improved biopsy targeting and patient management by providing immediate result of tissue pathology. This paper demonstrates the capacity of near IR Raman spectroscopy combine with statistical data analysis techniques to discriminate between normal, dysplastic and cancerous laryngeal tissue.

  2. 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.

  3. 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.

  4. 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)

  5. [Commercial orange juice beverages detection by fluorescence spectroscopy combined with PCA-ED and PLSR methods].

    Science.gov (United States)

    Hu, Yang-jun; Zhu, Chun; Chen, Guo-qing; Zhang, Yong; Kong, Fan-biao; Li, Run; Zhu, Zhuo-wei; Wang, Xu; Gao, Shu-mei

    2014-08-01

    In order to classify the orange juiice beverages effectively, the fluorescence character differences of two kinds of orange juice beverages including 100% orange juice and orange drink were analyzed and compared, principal component analysis combined with Euclidean distance was adopted to classify two kinds of orange juice beverages, and ideal classification results were obtained. Meanwhile, the orange juice content estimation model was established by using fluorescence spectroscopy combined with partial least squares regression method, and the correlation coefficient R, root mean square error of calibration RMSEC and root mean square error of prediction RMSEP were 0.997, 0.87% and 2.05%, respectively. The experimental results indicate that the calibration model offers comparatively accurate content estimation, which reflect the actual orange juice content in the commercial orange juice beverages. The exploration to classify orange juice beverages was carried out from two aspects of qualitative and quantitative analysis by employing fluorescence spectroscopy combined with chemometrics method, which can provide a new idea for the classification and adulteration detection of commercial orange juice beverages, and also can give certain reference basis for the quality control of orange juice raw material.

  6. Diode laser detection of greenhouse gases in the near-infrared region by wavelength modulation spectroscopy: pressure dependence of the detection sensitivity.

    Science.gov (United States)

    Asakawa, Takashi; Kanno, Nozomu; Tonokura, Kenichi

    2010-01-01

    We have investigated the pressure dependence of the detection sensitivity of CO(2), N(2)O and CH(4) using wavelength modulation spectroscopy (WMS) with distributed feed-back diode lasers in the near infrared region. The spectral line shapes and the background noise of the second harmonics (2f) detection of the WMS were analyzed theoretically. We determined the optimum pressure conditions in the detection of CO(2), N(2)O and CH(4), by taking into consideration the background noise in the WMS. At the optimum total pressure for the detection of CO(2), N(2)O and CH(4), the limits of detection in the present system were determined.

  7. 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)

  8. Detection of UV-induced cyclobutane pyrimidine dimers by near-infrared spectroscopy and aquaphotomics.

    Science.gov (United States)

    Goto, Noriko; Bazar, Gyorgy; Kovacs, Zoltan; Kunisada, Makoto; Morita, Hiroyuki; Kizaki, Seiichiro; Sugiyama, Hiroshi; Tsenkova, Roumiana; Nishigori, Chikako

    2015-07-02

    Ultraviolet (UV) radiation causes cellular DNA damage, among which cyclobutane pyrimidine dimers (CPDs) are responsible for a variety of genetic mutations. Although several approaches have been developed for detection of CPDs, conventional methods require time-consuming steps. Aquaphotomics, a new approach based on near-infrared spectroscopy (NIRS) and multivariate analysis that determines interactions between water and other components of the solution, has become an effective method for qualitative and quantitative parameters measurement in the solutions. NIR spectral patterns of UVC-irradiated and nonirradiated DNA solutions were evaluated using aquaphotomics for detection of UV-induced CPDs. Groups of UV-irradiated and nonirradiated DNA samples were classified (87.5% accuracy) by soft independent modeling of class analogy (SIMCA). A precise regression model calculated from NIR water spectral patterns based on UVC doses (r Val = 0.9457) and the concentration of cis-syn cyclobutane thymine dimers (cis-syn TTs; r Val = 0.9993) was developed using partial least squares regression (PLSR), while taking advantage of water spectral patterns, particularly around 1400-1500 nm. Our results suggested that, in contrast to DNA, the formation of cis-syn TTs increased the strongly hydrogen bonded water. Additionally, NIRS could qualitatively and quantitatively detect cis-syn TTs in isolated DNA aqueous solutions upon UVC exposure.

  9. 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.

  10. The detection of drugs of abuse in fingerprints using Raman spectroscopy I: latent fingerprints

    Science.gov (United States)

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

    2004-02-01

    This paper describes the application of Raman spectroscopy to the detection of exogenous substances in latent fingerprints. The scenario considered was that of an individual handling a substance and subsequently depositing a contaminated fingerprint. 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 studied in both sweat-rich and sebum-rich latent fingerprints. The substances studied could be clearly distinguished using their Raman spectra and were all successfully detected in latent fingerprints. Photobleaching was necessary to reduce the fluorescence background in the spectra of some substances. Raman spectra obtained from the substances in sweat-rich latent fingerprints were of a similar quality to spectra that obtained from the substances under normal sampling conditions. Interfering Raman bands arising from latent fingerprint material were present in the spectra obtained from the substances in sebum-rich fingerprints. These bands did not prevent identification of the substances and could be successfully removed by spectral subtraction. The most difficult aspect of the detection of these substances in latent fingerprints was visually locating the substance in the fingerprint in order to obtain a Raman spectrum.

  11. Generation of Small Single Domain Nanobody Binders for Sensitive Detection of Testosterone by Electrochemical Impedance Spectroscopy.

    Science.gov (United States)

    Li, Guanghui; Zhu, Min; Ma, Lu; Yan, Junrong; Lu, Xiaoling; Shen, Yanfei; Wan, Yakun

    2016-06-01

    A phage display library of variable domain of the heavy chain only antibody or nanobody (Nb) was constructed after immunizing a bactrian camel with testosterone. With the smaller molecular size (15 kDa), improved solubility, good stability, high affinity, specificity, and lower immunogenicity, Nbs are a promising tool in the next generation of diagnosis and medical applications. Testosterone is a reproductive hormone, playing an important role in normal cardiac function and being the highly predictive marker for many diseases. Herein, a simple and sensitive immunosensor based on electrochemical impedance spectroscopy (EIS) and Nbs was successfully developed for the determination of testosterone. We successfully isolated the antitestosterone Nbs from an immune phage display library. Moreover, one of the Nbs was biotinylated according to in vivo BirA system, which showed the highest production yield and the most stable case. Further, the EIS immunosensor was set up for testosterone detection by applying the biotinylated antitestosterone Nb. As a result, the biosensor exhibited a linear working range from 0.05 to 5 ng mL(-1) with a detection limit of 0.045 ng mL(-1). In addition, the proposed immunosensor was successfully applied in determining testosterone in serum samples. In conclusion, the proposed immunosensor revealed high specificity of testosterone detection and showed as a potential approach for sensitive and accurate diagnosis of testosterone.

  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. Experimental detection of iron overload in liver through neutron stimulated emission spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Kapadia, A J; Tourassi, G D; Sharma, A C [Department of Radiology, Duke Advanced Imaging Laboratories, Durham, NC 27705 (United States); Crowell, A S; Kiser, M R; Howell, C R [Department of Physics, Duke University, Durham, NC 27706 (United States)], E-mail: anuj.kapadia@duke.edu

    2008-05-21

    Iron overload disorders have been the focus of several quantification studies involving non-invasive imaging modalities. Neutron spectroscopic techniques have demonstrated great potential in detecting iron concentrations within biological tissue. We are developing a neutron spectroscopic technique called neutron stimulated emission computed tomography (NSECT), which has the potential to diagnose iron overload in the liver at clinically acceptable patient dose levels through a non-invasive scan. The technique uses inelastic scatter interactions between atomic nuclei in the sample and incoming fast neutrons to non-invasively determine the concentration of elements in the sample. This paper discusses a non-tomographic application of NSECT investigating the feasibility of detecting elevated iron concentrations in the liver. A model of iron overload in the human body was created using bovine liver tissue housed inside a human torso phantom and was scanned with a 5 MeV pulsed beam using single-position spectroscopy. Spectra were reconstructed and analyzed with algorithms designed specifically for NSECT. Results from spectroscopic quantification indicate that NSECT can currently detect liver iron concentrations of 6 mg g{sup -1} or higher and has the potential to detect lower concentrations by optimizing the acquisition geometry to scan a larger volume of tissue. The experiment described in this paper has two important outcomes: (i) it demonstrates that NSECT has the potential to detect clinically relevant concentrations of iron in the human body through a non-invasive scan and (ii) it provides a comparative standard to guide the design of iron overload phantoms for future NSECT liver iron quantification studies.

  14. Detection of whitening agents in illegal cosmetics using attenuated total reflectance-infrared spectroscopy.

    Science.gov (United States)

    Deconinck, E; Bothy, J L; Desmedt, B; Courselle, P; De Beer, J O

    2014-09-01

    Cosmetic products containing illegal whitening agents are still found on the European market. They represent a considerable risk to public health, since they are often characterised by severe side effects when used chronically. The detection of such products at customs is not always simple, due to misleading packaging and the existence of products containing only legal components. Therefore there is a need for easy to use equipment and techniques to perform an initial screening of samples. The use of attenuated total reflectance-infrared (ATR-IR) spectroscopy, combined with chemometrics, was evaluated for that purpose. It was found that the combination of ATR-IR with the simple chemometric technique k-nearest neighbours gave good results. A model was obtained in which a minimum of illegal samples was categorised as legal. The correctly classified illegal samples could be attributed to the illegal components present. PMID:24927403

  15. In vivo detection of epileptic brain tissue using static fluorescence and diffuse reflectance spectroscopy.

    Science.gov (United States)

    Yadav, Nitin; Bhatia, Sanjiv; Ragheb, John; Mehta, Rupal; Jayakar, Prasanna; Yong, William; Lin, Wei-Chiang

    2013-02-01

    Diffuse reflectance and fluorescence spectroscopy are used to detect histopathological abnormalities of an epileptic brain in a human subject study. Static diffuse reflectance and fluorescence spectra are acquired from normal and epileptic brain areas, defined by electrocorticography (ECoG), from pediatric patients undergoing epilepsy surgery. Biopsy specimens are taken from the investigated sites within an abnormal brain. Spectral analysis reveals significant differences in diffuse reflectance spectra and the ratio of fluorescence and diffuse reflectance spectra from normal and epileptic brain areas defined by ECoG and histology. Using these spectral differences, tissue classification models with accuracy above 80% are developed based on linear discriminant analysis. The differences between the diffuse reflectance spectra from the normal and epileptic brain areas observed in this study are attributed to alterations in the static hemodynamic characteristics of an epileptic brain, suggesting a unique association between the histopathological and the hemodynamic abnormalities in an epileptic brain.

  16. Laser spectroscopy for totally non-intrusive detection of oxygen in modified atmosphere food packages

    Science.gov (United States)

    Cocola, L.; Fedel, M.; Poletto, L.; Tondello, G.

    2015-04-01

    A device for measuring the oxygen concentration inside packages in modified atmosphere working in a completely non-intrusive way has been developed and tested. The device uses tunable diode laser spectroscopy in a geometry similar to a short distance LIDAR: A laser beam is sent through the top film of a food package, and the absorption is measured by detecting the light scattered by the bottom of the container or by a portion of the food herein contained. The device can operate completely in a contactless way from the package, and the distances of absorption both outside and inside the package are measured with a triangulation system. The performances of the device have been tested for various types of containers, and absolute values for the oxygen concentration have been compared with standard albeit destructive measurements.

  17. Molecularly imprinted polymers for highly sensitive detection of morphine using surface plasmon resonance spectroscopy

    Institute of Scientific and Technical Information of China (English)

    Hong Xia Hao; Hong Zhou; Jing Chang; Jun Zhu; Tian Xin Wei

    2011-01-01

    Molecular imprinting technology is applied in surface plasmon resonance spectroscopy for highly sensitive and selective detection of morphine (MO). As SPR-based sensor of MO, the preparation of molecular imprinted polymer is as follows: methacrylic acids (MAA), ethylene glycol dimethacrylate (EGDMA), azodiisobutyronitrile (AIBN) were used as functional monomer, cross-linker and initiator, respectively. The experiment results showed that morphine imprinted polymer had the performance of high sensitivity and specificity, i.e. the relative signal of SPR response was proportional to the concentration of morphine in acetonitrile in the range of 10-9 mol/L to 10-6mol/L (1 ppb-1 ppm) with LOD of 10-10mol/L, and MO was distinguished from its analogs, such as codeine.

  18. 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.

  19. 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.

  20. Detection of whitening agents in illegal cosmetics using attenuated total reflectance-infrared spectroscopy.

    Science.gov (United States)

    Deconinck, E; Bothy, J L; Desmedt, B; Courselle, P; De Beer, J O

    2014-09-01

    Cosmetic products containing illegal whitening agents are still found on the European market. They represent a considerable risk to public health, since they are often characterised by severe side effects when used chronically. The detection of such products at customs is not always simple, due to misleading packaging and the existence of products containing only legal components. Therefore there is a need for easy to use equipment and techniques to perform an initial screening of samples. The use of attenuated total reflectance-infrared (ATR-IR) spectroscopy, combined with chemometrics, was evaluated for that purpose. It was found that the combination of ATR-IR with the simple chemometric technique k-nearest neighbours gave good results. A model was obtained in which a minimum of illegal samples was categorised as legal. The correctly classified illegal samples could be attributed to the illegal components present.

  1. 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.

  2. 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.

  3. 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.

  4. 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

  5. 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.

  6. 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.

  7. 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.

  8. 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.

  9. Detection of sibutramine in adulterated dietary supplements using attenuated total reflectance-infrared spectroscopy.

    Science.gov (United States)

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

    2014-11-01

    Sibutramine is one of the most occurring adulterants encountered in dietary supplements with slimming as indication. These adulterated dietary supplements often contain a herbal matrix. When customs intercept these kind of supplements it is almost impossible to discriminate between the legal products and the adulterated ones, due to misleading packaging. Therefore in most cases these products are confiscated and send to laboratories for analysis. This results inherently in the confiscation of legal, non-adulterated products. Therefore there is a need for easy to use equipment and techniques to perform an initial screening of samples. Attenuated total reflectance-infrared (ATR-IR) spectroscopy was evaluated for the detection of sibutramine in adulterated dietary supplements. Data interpretation was performed using different basic chemometric techniques. It was found that the use of ATR-IR combined with the k-Nearest Neighbours (k-NN) was able to detect all adulterated dietary supplements in an external test set and this with a minimum of false positive results. This means that a small amount of legal products will still be confiscated and analyzed in a laboratory to be found negative, but no adulterated samples will pass the initial ATR-IR screening. PMID:25173110

  10. Potential of Cathodoluminescence Microscopy and Spectroscopy for the Detection of Prokaryotic Cells on Minerals

    Science.gov (United States)

    Rommevaux-Jestin, Céline; Ménez, Bénédicte

    2010-11-01

    Detecting mineral-hosted ecosystems to assess the extent and functioning of the biosphere from the surface to deep Earth requires appropriate techniques that provide, beyond the morphological criteria, indubitable clues of the presence of prokaryotic cells. Here, we evaluate the capability of cathodoluminescence microscopy and spectroscopy, implemented on a scanning electron microscope, to identify prokaryotes on mineral surfaces. For this purpose, we used, as a first step, a simple model of either unstained or stained cultivable cells (Escherichia coli, Deinococcus radiodurans) deposited on minerals that are common in the oceanic crust (basaltic glass, amphibole, pyroxene, and magnetite). Our results demonstrate that the detection of cells is possible at the micrometric level on the investigated minerals through the intrinsic fluorescence of their constituting macromolecules (aromatic amino and nucleic acids, coenzymes). This allows us to distinguish biomorph inorganic phases from cells. This easily implemented technique permits an exploration of colonized rock samples. In addition, the range of spectrometric techniques available on a scanning electron microscope can provide additional information on the nature and chemistry of the associated mineral phases, which would lead to a simultaneous characterization of cells, their microhabitats, and a better understanding of their potential relationships.

  11. Metamaterial-enhanced vibrational absorption spectroscopy for the detection of protein molecules

    Science.gov (United States)

    Bui, Tung S.; Dao, Thang D.; Dang, Luu H.; Vu, Lam D.; Ohi, Akihiko; Nabatame, Toshihide; Lee, YoungPak; Nagao, Tadaaki; Hoang, Chung V.

    2016-01-01

    From visible to mid-infrared frequencies, molecular sensing has been a major successful application of plasmonics because of the enormous enhancement of the surface electromagnetic nearfield associated with the induced collective motion of surface free carriers excited by the probe light. However, in the lower-energy terahertz (THz) region, sensing by detecting molecular vibrations is still challenging because of low sensitivity, complicated spectral features, and relatively little accumulated knowledge of molecules. Here, we report the use of a micron-scale thin-slab metamaterial (MM) architecture, which functions as an amplifier for enhancing the absorption signal of the THz vibration of an ultrathin adsorbed layer of large organic molecules. We examined bovine serum albumin (BSA) as a prototype large protein molecule and Rhodamine 6G (Rh6G) and 3,3′-diethylthiatricarbocyanine iodide (DTTCI) as examples of small molecules. Among them, our MM significantly magnified only the signal strength of bulky BSA. On the other hand, DTTCI and Rh6G are inactive, as they lack low-frequency vibrational modes in this frequency region. The results obtained here clearly demonstrate the promise of MM-enhanced absorption spectroscopy in the THz region for detection and structural monitoring of large biomolecules such as proteins or pathogenic enzymes. PMID:27555217

  12. 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.

  13. 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

  14. 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.

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

    Science.gov (United States)

    Hahn, Gitte Holst; Christensen, Karl Bang; Leung, Terence S.; Greisen, Gorm

    2010-05-01

    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 determined when fluctuations in ABP are large rather than small. Therefore, we investigated whether adjusting for variability in ABP (variabilityABP) improves precision. We examined the impact of variabilityABP within the power spectrum in each measurement and between repeated measurements in preterm infants. 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 frequencies (0.04-0.1 Hz) had higher precision and statistically more power than in very low frequencies (0.003-0.04 Hz). In conclusion, a reliable detection of cerebral autoregulation takes hours and the precision is improved by adjusting for variabilityABP between repeated measurements.

  16. 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.

  17. Scanning elastic scattering spectroscopy detects metastatic breast cancer in sentinel lymph nodes.

    Science.gov (United States)

    Austwick, Martin R; Clark, Benjamin; Mosse, Charles A; Johnson, Kristie; Chicken, D Wayne; Somasundaram, Santosh K; Calabro, Katherine W; Zhu, Ying; Falzon, Mary; Kocjan, Gabrijela; Fearn, Tom; Bown, Stephen G; Bigio, Irving J; Keshtgar, Mohammed R S

    2010-01-01

    A novel method for rapidly detecting metastatic breast cancer within excised sentinel lymph node(s) of the axilla is presented. Elastic scattering spectroscopy (ESS) is a point-contact technique that collects broadband optical spectra sensitive to absorption and scattering within the tissue. A statistical discrimination algorithm was generated from a training set of nearly 3000 clinical spectra and used to test clinical spectra collected from an independent set of nodes. Freshly excised nodes were bivalved and mounted under a fiber-optic plate. Stepper motors raster-scanned a fiber-optic probe over the plate to interrogate the node's cut surface, creating a 20x20 grid of spectra. These spectra were analyzed to create a map of cancer risk across the node surface. Rules were developed to convert these maps to a prediction for the presence of cancer in the node. Using these analyses, a leave-one-out cross-validation to optimize discrimination parameters on 128 scanned nodes gave a sensitivity of 69% for detection of clinically relevant metastases (71% for macrometastases) and a specificity of 96%, comparable to literature results for touch imprint cytology, a standard technique for intraoperative diagnosis. ESS has the advantage of not requiring a pathologist to review the tissue sample. PMID:20799832

  18. 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.

  19. 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.

  20. Quantitative detection of hemoglobin saturation on piglet brain by near-infrared frequency-domain spectroscopy

    Science.gov (United States)

    Du, Congwu; Andersen, Carol; Chance, Britton

    1998-01-01

    An approach of using phase modulation spectroscopy (PMS) system has been proposed which has single frequency, dual- wavelength with phase-only output for oximetry to minimize the influences of room light in the clinical environment. The availability of this method has been verified by laboratory experiments both in vitro and in vivo. In this study, a 200 Mhz PMS system has been used for measuring on piglet brain in vivo, to detect blood volume and saturation change during normoxia to hypoxia periods, and to monitor the brain depolarization in the hypoxic stress. Our experimental results show that the brain saturation estimated by PMS is approximately 84% and lies between arterial and venous blood values of 97% and 80% in normoxia, and tends to move close to the venous side in hypoxia. In addition, the excessive hypoxic stress triggers the brain to be bio-energetic deficits and finally introduced the neural depolarization, which can be effectively detected by recording the increment of tissue scattering.

  1. Approaching the ppb detection limits for copper in water using laser induced breakdown spectroscopy

    Science.gov (United States)

    Tawfik, Walid; Sawaf, Sausan

    2014-05-01

    Copper concentrations in drinking-water is very important to be monitored which can cause cancer if it exceed about 10 mg/liter. In the present work, we have developed a simple, low laser power method to improve the detection limits of laser induced plasma spectroscopy LIBS for copper in aqueous solutions with different concentrations. In this method a medium density fiberboard (MDF) wood have been used as a substrate that absorbs the liquid sample to transform laser liquid interaction to laser solid interaction. Using the fundamental wavelength of Nd:YAG laser, the constructed plasma emissions were monitored for elemental analysis. The signal-to-noise ratio SNR was optimized using low laser fluence of 32 J cm-2, and detector (CDD camera) gate delay of 0.5 μs. Both the electron temperature and density of the induced plasma were determined using Boltzmann plot and the FWHM of the Cu at 324.7 nm, respectively. The plasma temperature was found to be 1.197 eV, while the plasma density was about 1.66 x 1019 cm-3. The detection limits for Cu at 324.7 nm is found to be 131 ppb comparable to the results by others using complicated system.

  2. 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.

  3. 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

  4. 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.

  5. 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

  6. Metamaterial-enhanced vibrational absorption spectroscopy for the detection of protein molecules

    Science.gov (United States)

    Bui, Tung S.; Dao, Thang D.; Dang, Luu H.; Vu, Lam D.; Ohi, Akihiko; Nabatame, Toshihide; Lee, Youngpak; Nagao, Tadaaki; Hoang, Chung V.

    2016-08-01

    From visible to mid-infrared frequencies, molecular sensing has been a major successful application of plasmonics because of the enormous enhancement of the surface electromagnetic nearfield associated with the induced collective motion of surface free carriers excited by the probe light. However, in the lower-energy terahertz (THz) region, sensing by detecting molecular vibrations is still challenging because of low sensitivity, complicated spectral features, and relatively little accumulated knowledge of molecules. Here, we report the use of a micron-scale thin-slab metamaterial (MM) architecture, which functions as an amplifier for enhancing the absorption signal of the THz vibration of an ultrathin adsorbed layer of large organic molecules. We examined bovine serum albumin (BSA) as a prototype large protein molecule and Rhodamine 6G (Rh6G) and 3,3‧-diethylthiatricarbocyanine iodide (DTTCI) as examples of small molecules. Among them, our MM significantly magnified only the signal strength of bulky BSA. On the other hand, DTTCI and Rh6G are inactive, as they lack low-frequency vibrational modes in this frequency region. The results obtained here clearly demonstrate the promise of MM-enhanced absorption spectroscopy in the THz region for detection and structural monitoring of large biomolecules such as proteins or pathogenic enzymes.

  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. 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.

  9. Detecting proton exchange membrane fuel cell hydrogen leak using electrochemical impedance spectroscopy method

    Science.gov (United States)

    Mousa, Ghassan; Golnaraghi, Farid; DeVaal, Jake; Young, Alan

    2014-01-01

    When a proton exchange membrane (PEM) fuel cell runs short of hydrogen, it suffers from a reverse potential fault that, when driven by neighboring cells, can lead to anode catalyst degradation and holes in the membrane due to local heat generation. As a result, hydrogen leaks through the electrically-shorted membrane-electrode assembly (MEA) without being reacted, and a reduction in fuel cell voltage is noticed. Such voltage reduction can be detected by using electrochemical impedance spectroscopy (EIS). To fully understand the reverse potential fault, the effect of hydrogen crossover leakage in a commercial MEA is measured by EIS at different differential pressures between the anode and cathode. Then the signatures of these leaky cells were compared with the signatures of a no-leaky cells at different oxygen concentrations with the same current densities. The eventual intent of this early stage work is to develop an on-board diagnostics system that can be used to detect and possibly prevent cell reversal failures, and to permit understanding the status of crossover or transfer leaks versus time in operation.

  10. Detection and evaluation of uranium in different minerals by gamma spectrometry and laser induced breakdown spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Sergani, F.M.; Khedr, M.A.; Harith, M.A. [National Inst. of Laser Enhanced Sciences (NILES), Cairo Univ. (Egypt); El Mongy, S.A. [National Center for Nuclear Safety, Atomic Energy Authority, Nasr City, Cairo (Egypt)

    2004-07-01

    Analysis, detection and evaluation of source nuclear materials (e.g. uranium) in different minerals by sensitive techniques are a vital objective for uranium exploration, nuclear materials extraction, processing and verification. In this work, uranium in different geological formations was determined using gamma spectrometry and laser induced breakdown spectroscopy (LIBS). The investigated samples were collected from different regions distributed all over Egypt. The samples were then prepared for non-destructive analysis. A hyper pure germanium detector was used to measure the emitted gamma rays of uranium and its daughters in the samples. The concentrations of uranium in ppm ({mu}g/g) in the investigated samples are given and discussed in this work. The highest uranium concentration (4354.9 ppm) was found in uranophane samples of Gattar rocks. In Laser induced breakdown spectroscopy (LIBS) technique, plasma was formed by irradiating the rock surface with focused Q-switched Nd:Yag laser pulses of 7 ns pulse duration at the fundamental wavelength (1064 nm). Atoms and ions originating from the rock surface are excited and ionized in the laser produced hot plasma ({proportional_to}10 000 K). The plasma emission spectral line is characteristic of the elements present in the plasma and allows identification of the uranium in the uranophane mineral. The strong atomic line at 424.2 nm is used for the qualitative identification of uranium. It can be mentioned that the elevated levels of uranium in some of the investigated uranophane samples are of great economic feasibility to be extracted. (orig.)

  11. On Detecting New Worlds: The Art of Doppler Spectroscopy with Iodine Cells

    Science.gov (United States)

    Wang, Sharon Xuesong

    2016-08-01

    The first discovery of an extra-solar planet (exoplanet) around a main-sequence star, 51 Peg b, discovered using Doppler spectroscopy, opened up the field of exoplanets. For more than a decade, the dominant way for finding exoplanets was using precise Doppler spectroscopy to measure the radial velocity (RV) changes of stars. Today, precise Doppler spectroscopy is still crucial for the discovery and characterization of exoplanets, and it has a great chance for finding the first rocky exoplanet in the Habitable Zone of its host star. However, such endeavor requires an exquisite precision of 10-50 cm/s while the current state of the art is 1 m/s. This thesis set out to improve the RV precision of two precise Doppler spectrometers on two 10-meter class telescopes: HET/HRS and Keck/HIRES. Both of these spectrometers use iodine cells as their wavelength calibration sources, and their spectral data are being analyzed via forward modeling to estimate stellar RVs. Neither HET/HRS or Keck/HIRES deliver an RV precision at the photon-limited level, meaning that there are additional RV systematic errors caused by instrumental changes or errors in the data analysis. HET/HRS has an RV precision of 3-5 m/s, while Keck/HIRES has about 1-2 m/s. I have found that the leading cause behind HET/HRS's "under-performance" in comparison to Keck/HIRES is temperature changes of the iodine gas cell (and thus an inaccurate iodine reference spectrum). Another reason is the insufficient modeling of the HET/HRS instrumental profile. While Keck/HIRES does not suffer from these problems, it also has several RV systematic error sources of con siderable sizes. The work in this thesis has revealed that the errors in Keck/HIRES's stellar reference spectrum add about 1 m/s to the error budget and are the major drivers behind the spurious RV signal at the period of a sidereal year and its harmonics. Telluric contamination and errors caused by the spectral fitting algorithm also contribute on the level of

  12. Diagnostic power of diffuse reflectance spectroscopy for targeted detection of breast lesions with microcalcifications

    Science.gov (United States)

    Soares, Jaqueline S.; Barman, Ishan; Dingari, Narahara Chari; Volynskaya, Zoya; Liu, Wendy; Klein, Nina; Plecha, Donna; Dasari, Ramachandra R.; Fitzmaurice, Maryann

    2013-01-01

    Microcalcifications geographically target the location of abnormalities within the breast and are of critical importance in breast cancer diagnosis. However, despite stereotactic guidance, core needle biopsy fails to retrieve microcalcifications in up to 15% of patients. Here, we introduce an approach based on diffuse reflectance spectroscopy for detection of microcalcifications that focuses on variations in optical absorption stemming from the calcified clusters and the associated cross-linking molecules. In this study, diffuse reflectance spectra are acquired ex vivo from 203 sites in fresh biopsy tissue cores from 23 patients undergoing stereotactic breast needle biopsies. By correlating the spectra with the corresponding radiographic and histologic assessment, we have developed a support vector machine-derived decision algorithm, which shows high diagnostic power (positive predictive value and negative predictive value of 97% and 88%, respectively) for diagnosis of lesions with microcalcifications. We further show that these results are robust and not due to any spurious correlations. We attribute our findings to the presence of proteins (such as elastin), and desmosine and isodesmosine cross-linkers in the microcalcifications. It is important to note that the performance of the diffuse reflectance decision algorithm is comparable to one derived from the corresponding Raman spectra, and the considerably higher intensity of the reflectance signal enables the detection of the targeted lesions in a fraction of the spectral acquisition time. Our findings create a unique landscape for spectroscopic validation of breast core needle biopsy for detection of microcalcifications that can substantially improve the likelihood of an adequate, diagnostic biopsy in the first attempt. PMID:23267090

  13. 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.

  14. 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

  15. 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.

  16. 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.

  17. 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

  18. 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...

  19. Thermodynamic and noise considerations for the detection of microscopic particles in a gas by Photoacoustic Raman spectroscopy

    CERN Document Server

    Das, K K; Lehmann, K; Scully, M O; Das, Kunal K.; Rostovtsev, Yuri V.; Lehmann, Kevin; Scully, Marlan O.

    2004-01-01

    We develop a simple thermodynamic model to describe the heat transfer mechanisms and generation of acoustic waves in photoacoustic Raman spectroscopy by small particulate suspensions in a gas. Using Langevin methods to describe the thermal noise we study the signal and noise properties, and from the noise equivalent power we determine the minimum number density of the suspended particles that can be detected. We find that for some relevant cases, as few as 100 particles per cubic meter can be detected.

  20. Symmetry-resolved spectroscopy by detection of a metastable hydrogen atom for investigating the doubly excited states of molecular hydrogen

    Energy Technology Data Exchange (ETDEWEB)

    Odagiri, Takeshi; Kumagai, Yoshiaki; Tanabe, Takehiko; Nakano, Motoyoshi; Kouchi, Noriyuki [Department of Chemistry, Tokyo Institute of Technology, Meguro-ku, Tokyo 152-8551 (Japan); Suzuki, Isao H, E-mail: joe@chem.titech.ac.j [Photon Factory, IMSS, KEK, Tsukuba, Ibaraki 305-0801 (Japan)

    2009-11-01

    Symmetry-resolved spectroscopy for investigating the doubly excited states of molecular hydrogen has been newly developed, where a metastable hydrogen atom dissociating in a direction parallel and perpendicular to the electric vector of the linearly polarized incident light is detected.

  1. Rapid and non-destructive detection and identification two strains of Wolbachia in Aedes aegypti by near-infrared spectroscopy

    Science.gov (United States)

    We investigated the potential of using near-infrared spectroscopy (NIRS) to detect the presence of Wolbachia pipientis (wMel) in male and female laboratory-reared Aedes aegypti mosquitoes. The release of Wolbachia transinfected mosquitoes is likely to form a key component of disease control strategi...

  2. Spectroscopy of JVI Himalia for detection and characterization of the 3 um water band

    Science.gov (United States)

    Schindler, Karsten

    2013-10-01

    We aim at securely detecting and characterizing the presence of the 3um band for the first time in the reflectance spectrum of a Jovian irregular satellite. Features in the 3um band can unambiguously reveal water ice or past aqueous alteration of the surface material that lead to bound water molecules and hydroxyl groups in minerals. Water ice and hydrated minerals are ubiquitous in the Jovian system and have been found on Europa, Ganymede, Callisto and the inner regular satellite JV Amalthea. In contrast to these neighboring satellites and to two irregular satellites that have been studied at Saturn and Neptune, a detection of water (previously or currently present) on a Jovian irregular satellite has not yet been succeeded due to constraints of ground-based observatories. No dedicated spacecraft mission to the Jovian system has allowed to study them close-up. Their very low albedos and small diameters only allow ground-based spectroscopy up to 2.5um for very few objects. The strong telluric absorption band of the atmosphere between 2.55-2.85um and the increasing IR-background beyond 2.85um makes ground-based spectroscopy for these very faint objects impossible. SOFIA has the unique capability to overcome these limits. Flitecam provides enough sensitivity to conduct spectroscopic investigations between 2.6-3.5um of the largest object of the Jovian irregular satellite population, JVI Himalia. Supplementary high quality spectral data from 0.65-2.55um has already been acquired by Schindler and Reddy using SpeX on NASA IRTF. Three indicators strongly suggest the presence of the 3um band: A shallow absorption feature around 1.1um attributed to magnetite, a weak feature around 0.7 um attributed to phyllosillicates and an average heliocentric distance of 5.2AU where water ice is thought to be stable throughout the history of the Solar System. The results of this study will greatly contribute to understand the origin and history of these objects.

  3. 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

  4. [Study on Ammonia Emission Rules in a Dairy Feedlot Based on Laser Spectroscopy Detection Method].

    Science.gov (United States)

    He, Ying; Zhang, Yu-jun; You, Kun; Wang, Li-ming; Gao, Yan-wei; Xu, Jin-feng; Gao, Zhi-ling; Ma, Wen-qi

    2016-03-01

    It needs on-line monitoring of ammonia concentration on dairy feedlot to disclose ammonia emissions characteristics accurately for reducing ammonia emissions and improving the ecological environment. The on-line monitoring system for ammonia concentration has been designed based on Tunable Diode Laser Absorption Spectroscopy (TDLAS) technology combining with long open-path technology, then the study has been carried out with inverse dispersion technique and the system. The ammonia concentration in-situ has been detected and ammonia emission rules have been analyzed on a dairy feedlot in Baoding in autumn and winter of 2013. The monitoring indicated that the peak of ammonia concentration was 6.11 x 10(-6) in autumn, and that was 6.56 x 10(-6) in winter. The concentration results show that the variation of ammonia concentration had an obvious diurnal periodicity, and the general characteristic of diurnal variation was that the concentration was low in the daytime and was high at night. The ammonia emissions characteristic was obtained with inverse dispersion model that the peak of ammonia emissions velocity appeared at noon. The emission velocity was from 1.48 kg/head/hr to 130.6 kg/head/hr in autumn, and it was from 0.004 5 kg/head/hr to 43.32 kg/head/hr in winter which was lower than that in autumn. The results demonstrated ammonia emissions had certain seasonal differences in dairy feedlot scale. In conclusion, the ammonia concentration was detected with optical technology, and the ammonia emissions results were acquired by inverse dispersion model analysis with large range, high sensitivity, quick response without gas sampling. Thus, it's an effective method for ammonia emissions monitoring in dairy feedlot that provides technical support for scientific breeding.

  5. 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).

  6. 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).

  7. Imaging via complete cantilever dynamic detection: general dynamic mode imaging and spectroscopy in scanning probe microscopy.

    Science.gov (United States)

    Somnath, Suhas; Collins, Liam; Matheson, Michael A; Sukumar, Sreenivas R; Kalinin, Sergei V; Jesse, Stephen

    2016-10-14

    We develop and implement a multifrequency spectroscopy and spectroscopic imaging mode, referred to as general dynamic mode (GDM), that captures the complete spatially- and stimulus dependent information on nonlinear cantilever dynamics in scanning probe microscopy (SPM). GDM acquires the cantilever response including harmonics and mode mixing products across the entire broadband cantilever spectrum as a function of excitation frequency. GDM spectra substitute the classical measurements in SPM, e.g. amplitude and phase in lock-in detection. Here, GDM is used to investigate the response of a purely capacitively driven cantilever. We use information theory techniques to mine the data and verify the findings with governing equations and classical lock-in based approaches. We explore the dependence of the cantilever dynamics on the tip-sample distance, AC and DC driving bias. This approach can be applied to investigate the dynamic behavior of other systems within and beyond dynamic SPM. GDM is expected to be useful for separating the contribution of different physical phenomena in the cantilever response and understanding the role of cantilever dynamics in dynamic AFM techniques. PMID:27607339

  8. 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.

  9. 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.

  10. 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.

  11. Detection and classification of live and dead Escherichia coli by laser-induced breakdown spectroscopy.

    Science.gov (United States)

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

    2015-02-01

    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) strain K12 cells as a model organism since its growth and death in the laboratory are well understood. Our goal is to determine whether LIBS, in its femto- and/or nanosecond forms, could ascertain the state of a living organism. E. coli strain K12 cells were grown, collected, and exposed to one of two types of inactivation treatments: autoclaving and sonication. Cells were also kept alive as a control. We found that LIBS yields key information that allows for the discrimination of live and dead E. coli bacteria based on ionic shifts reflective of cell membrane integrity.

  12. Imaging via complete cantilever dynamic detection: general dynamic mode imaging and spectroscopy in scanning probe microscopy

    Science.gov (United States)

    Somnath, Suhas; Collins, Liam; Matheson, Michael A.; Sukumar, Sreenivas R.; Kalinin, Sergei V.; Jesse, Stephen

    2016-10-01

    We develop and implement a multifrequency spectroscopy and spectroscopic imaging mode, referred to as general dynamic mode (GDM), that captures the complete spatially- and stimulus dependent information on nonlinear cantilever dynamics in scanning probe microscopy (SPM). GDM acquires the cantilever response including harmonics and mode mixing products across the entire broadband cantilever spectrum as a function of excitation frequency. GDM spectra substitute the classical measurements in SPM, e.g. amplitude and phase in lock-in detection. Here, GDM is used to investigate the response of a purely capacitively driven cantilever. We use information theory techniques to mine the data and verify the findings with governing equations and classical lock-in based approaches. We explore the dependence of the cantilever dynamics on the tip-sample distance, AC and DC driving bias. This approach can be applied to investigate the dynamic behavior of other systems within and beyond dynamic SPM. GDM is expected to be useful for separating the contribution of different physical phenomena in the cantilever response and understanding the role of cantilever dynamics in dynamic AFM techniques.

  13. 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.

  14. 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.

  15. Use of an endoscope-compatible probe to detect colonic dysplasia with Fourier transform infrared spectroscopy

    Science.gov (United States)

    Mackanos, Mark A.; Hargrove, John; Wolters, Rolf; Du, Christine B.; Friedland, Shai; Soetikno, Roy M.; Contag, Christopher H.; Arroyo, May R.; Crawford, James M.; Wang, Thomas D.

    2009-07-01

    Fourier transform infrared (FTIR) spectroscopy is sensitive to the molecular composition of tissue and has the potential to identify premalignant tissue (dysplasia) as an adjunct to endoscopy. We demonstrate collection of mid-infrared absorption spectra with a silver halide (AgCl0.4Br0.6) optical fiber and use spectral preprocessing to identify optimal subranges that classify colonic mucosa as normal, hyperplasia, or dysplasia. We collected spectra (n=83) in the 950 to 1800 cm-1 regime on biopsy specimens obtained from human subjects (n=37). Subtle differences in the magnitude of the absorbance peaks at specific wave numbers were observed. The best double binary algorithm for distinguishing normal-versus-dysplasia and hyperplasia-versus-dysplasia was determined from an exhaustive search of spectral intervals and preprocessing techniques. Partial least squares discriminant analysis was used to classify the spectra using a leave-one-subject-out cross-validation strategy. The results were compared with histology reviewed independently by two gastrointestinal pathologists. The optimal thresholds identified resulted in an overall sensitivity, specificity, accuracy, and positive predictive value of 96%, 92%, 93%, and 82%, respectively. These results indicated that mid-infrared absorption spectra collected remotely with an optical fiber can be used to identify colonic dysplasia with high accuracy, suggesting that continued development of this technique for the early detection of cancer is promising.

  16. 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.

  17. 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

  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. 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.

  20. 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.)

  1. 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.

  2. 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.

  3. 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

  4. In situ CF3 Detection in Low Pressure Inductive Discharges by Fourier Transform Infrared Spectroscopy

    Science.gov (United States)

    Kim, J. S.; Cappelli, M. A.; Sharma, S. P.; Arnold, J. O. (Technical Monitor)

    1998-01-01

    The detection of CF(x) (x=1-3) radicals in low pressure discharges using source gases such as CF4 and CHF3 is of importance to the understanding of their chemical structure and relevance in plasma based etching processes. These radicals are known to contribute to the formation of fluorocarbon polymer films, which affect the selectivity and anisotropy of etching. In this study, we present preliminary results of the quantitative measurement of trifluoromethyl radicals, CF3, in low pressure discharges. The discharge studied here is an inductively (transformer) coupled plasma (ICP) source in the GEC reference cell, operating on pure CF4 at pressures ranging from 10 - 100 mTorr, This plasma source generates higher electron number densities at lower operating pressures than obtainable with the parallel-plate capacitively coupled version of the GEC reference cell. Also, this expanded operating regime is more relevant to new generations of industrial plasma reactors being used by the microelectronics industry. Fourier transform infrared (FTIR) spectroscopy is employed to observe the absorption band of CF3 radicals in the electronic ground state X2Al in the region of 1233-1270/cm. The spectrometer is equipped with a high sensitivity HgCdTe (MCT) detector and has a fixed resolution of 0.125/cm. The CF3 concentrations are measured for a range of operating pressures and discharge power levels.

  5. Non-invasive optical detection of esophagus cancer based on urine surface-enhanced Raman spectroscopy

    Science.gov (United States)

    Huang, Shaohua; Wang, Lan; Chen, Weiwei; Lin, Duo; Huang, Lingling; Wu, Shanshan; Feng, Shangyuan; Chen, Rong

    2014-09-01

    A surface-enhanced Raman spectroscopy (SERS) approach was utilized for urine biochemical analysis with the aim to develop a label-free and non-invasive optical diagnostic method for esophagus cancer detection. SERS spectrums were acquired from 31 normal urine samples and 47 malignant esophagus cancer (EC) urine samples. Tentative assignments of urine SERS bands demonstrated esophagus cancer specific changes, including an increase in the relative amounts of urea and a decrease in the percentage of uric acid in the urine of normal compared with EC. The empirical algorithm integrated with linear discriminant analysis (LDA) were employed to identify some important urine SERS bands for differentiation between healthy subjects and EC urine. The empirical diagnostic approach based on the ratio of the SERS peak intensity at 527 to 1002 cm-1 and 725 to 1002 cm-1 coupled with LDA yielded a diagnostic sensitivity of 72.3% and specificity of 96.8%, respectively. The area under the receive operating characteristic (ROC) curve was 0.954, which further evaluate the performance of the diagnostic algorithm based on the ratio of the SERS peak intensity combined with LDA analysis. This work demonstrated that the urine SERS spectra associated with empirical algorithm has potential for noninvasive diagnosis of esophagus cancer.

  6. DNA Hybridization Sensors Based on Electrochemical Impedance Spectroscopy as a Detection Tool

    Directory of Open Access Journals (Sweden)

    Jin-Young Park

    2009-11-01

    Full Text Available Recent advances in label free DNA hybridization sensors employing electrochemical impedance spectroscopy (EIS as a detection tool are reviewed. These sensors are based on the modulation of the blocking ability of an electrode modified with a probe DNA by an analyte, i.e., target DNA. The probe DNA is immobilized on a self-assembled monolayer, a conducting polymer film, or a layer of nanostructures on the electrode such that desired probe DNA would selectively hybridize with target DNA. The rate of charge transfer from the electrode thus modified to a redox indicator, e.g., [Fe(CN6]3–/4–, which is measured by EIS in the form of charge transfer resistance (Rct, is modulated by whether or not, as well as how much, the intended target DNA is selectively hybridized. Efforts made to enhance the selectivity as well as the sensitivity of DNA sensors and to reduce the EIS measurement time are briefly described along with brief future perspectives in developing DNA sensors.

  7. DNA Hybridization Sensors Based on Electrochemical Impedance Spectroscopy as a Detection Tool

    Science.gov (United States)

    Park, Jin-Young; Park, Su-Moon

    2009-01-01

    Recent advances in label free DNA hybridization sensors employing electrochemical impedance spectroscopy (EIS) as a detection tool are reviewed. These sensors are based on the modulation of the blocking ability of an electrode modified with a probe DNA by an analyte, i.e., target DNA. The probe DNA is immobilized on a self-assembled monolayer, a conducting polymer film, or a layer of nanostructures on the electrode such that desired probe DNA would selectively hybridize with target DNA. The rate of charge transfer from the electrode thus modified to a redox indicator, e.g., [Fe(CN)6]3−/4−, which is measured by EIS in the form of charge transfer resistance (Rct), is modulated by whether or not, as well as how much, the intended target DNA is selectively hybridized. Efforts made to enhance the selectivity as well as the sensitivity of DNA sensors and to reduce the EIS measurement time are briefly described along with brief future perspectives in developing DNA sensors. PMID:22303136

  8. Detection of 2D phase transitions at the electrode/electrolyte interface using electrochemical impedance spectroscopy

    Science.gov (United States)

    Tymoczko, Jakub; Colic, Viktor; Bandarenka, Aliaksandr S.; Schuhmann, Wolfgang

    2015-01-01

    The capacitance of the electric double layer, CDL, formed at the electrode/electrolyte interface is generally determined by electrochemical impedance spectroscopy (EIS). However, CDL values obtained using EIS data often depend on the ac frequency of the potential perturbation used in EIS. The reasons for the observed frequency dispersions can be various, and hence extracting valuable information about the status of the electrified interface is not possible with the required certainty. In this work, using well-understood electrochemical systems, namely Pt(111) electrodes in contact with a series of acidic sulfate ions containing electrolytes, we provide strong evidence that 2D phase transitions in the adsorbate layers and, in general, structural effects at the electrode/electrolyte interface are in many cases responsible for the frequency dispersion of the double layer capacitance. These empirical findings open new opportunities for the detection and evaluation of 2D phase transition processes and other structural effects using EIS, even in presence of simultaneously occurring electrochemical processes. However, further theoretical elaboration of this effect is necessary.

  9. 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.

  10. Assembling a prototype resonance electrical impedance spectroscopy system for breast tissue signal detection: preliminary assessment

    Science.gov (United States)

    Sumkin, Jules; Zheng, Bin; Gruss, Michelle; Drescher, John; Leader, Joseph; Good, Walter; Lu, Amy; Cohen, Cathy; Shah, Ratan; Zuley, Margarita; Gur, David

    2008-03-01

    Using electrical impedance spectroscopy (EIS) technology to detect breast abnormalities in general and cancer in particular has been attracting research interests for decades. Large clinical tests suggest that current EIS systems can achieve high specificity (>= 90%) at a relatively low sensitivity ranging from 15% to 35%. In this study, we explore a new resonance frequency based electrical impedance spectroscopy (REIS) technology to measure breast tissue EIS signals in vivo, which aims to be more sensitive to small tissue changes. Through collaboration between our imaging research group and a commercial company, a unique prototype REIS system has been assembled and preliminary signal acquisition has commenced. This REIS system has two detection probes mounted in the two ends of a Y-shape support device with probe separation of 60 mm. During REIS measurement, one probe touches the nipple and the other touches to an outer point of the breast. The electronic system continuously generates sweeps of multi-frequency electrical pulses ranging from 100 to 4100 kHz. The maximum electric voltage and the current applied to the probes are 1.5V and 30mA, respectively. Once a "record" command is entered, multi-frequency sweeps are recorded every 12 seconds until the program receives a "stop recording" command. In our imaging center, we have collected REIS measurements from 150 women under an IRB approved protocol. The database includes 58 biopsy cases, 78 screening negative cases, and other "recalled" cases (for additional imaging procedures). We measured eight signal features from the effective REIS sweep of each breast. We applied a multi-feature based artificial neural network (ANN) to classify between "biopsy" and normal "non-biopsy" breasts. The ANN performance is evaluated using a leave-one-out validation method and ROC analysis. We conducted two experiments. The first experiment attempted to classify 58 "biopsy" breasts and 58 "non-biopsy" breasts acquired on 58 women

  11. 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

  12. Engineering and Characterization of Peptides and Proteins at Surfaces and Interfaces: A Case Study in Surface-Sensitive Vibrational Spectroscopy.

    Science.gov (United States)

    Ding, Bei; Jasensky, Joshua; Li, Yaoxin; Chen, Zhan

    2016-06-21

    Understanding molecular structures of interfacial peptides and proteins impacts many research fields by guiding the advancement of biocompatible materials, new and improved marine antifouling coatings, ultrasensitive and highly specific biosensors and biochips, therapies for diseases related to protein amyloid formation, and knowledge on mechanisms for various membrane proteins and their interactions with ligands. Developing methods for measuring such unique systems, as well as elucidating the structure and function relationship of such biomolecules, has been the goal of our lab at the University of Michigan. We have made substantial progress to develop sum frequency generation (SFG) vibrational spectroscopy into a powerful technique to study interfacial peptides and proteins, which lays a foundation to obtain unique and valuable insights when using SFG to probe various biologically relevant systems at the solid/liquid interface in situ in real time. One highlighting feature of this Account is the demonstration of the power of combining SFG with other techniques and methods such as ATR-FTIR, surface engineering, MD simulation, liquid crystal sensing, and isotope labeling in order to study peptides and proteins at interfaces. It is necessary to emphasize that SFG plays a major role in these studies, while other techniques and methods are supplemental. The central role of SFG is to provide critical information on interfacial peptide and protein structure (e.g., conformation and orientation) in order to elucidate how surface engineering (e.g., to vary the structure) can ultimately affect surface function (e.g., to optimize the activity). This Account focuses on the most significant recent progress in research on interfacial peptides and proteins carried out by our group including (1) the development of SFG analysis methods to determine orientations of regular as well as disrupted secondary structures, and the successful demonstration and application of an isotope

  13. 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...

  14. VLT FORS2 comparative transmission spectroscopy: Detection of Na in the atmosphere of WASP-39b from the ground

    CERN Document Server

    Nikolov, Nikolay; Gibson, Neale P; Fortney, J J; Evans, Thomas M; Barstow, Joanna K; Kataria, Tiffany; Wilson, Paul A

    2016-01-01

    We present transmission spectroscopy of the warm Saturn-mass exoplanet WASP-39b made with the Very Large Telescope (VLT) FOcal Reducer and Spectrograph (FORS2) across the wavelength range 411-810nm. The transit depth is measured with a typical precision of 240 parts per million (ppm) in wavelength bins of 10nm on a V = 12.1 magnitude star. We detect the sodium absorption feature (3.2-sigma) and find evidence for potassium. The ground-based transmission spectrum is consistent with Hubble Space Telescope (HST) optical spectroscopy, strengthening the interpretation of WASP-39b having a largely clear atmosphere. Our results demonstrate the great potential of the recently upgraded FORS2 spectrograph for optical transmission spectroscopy, obtaining HST-quality light curves from the ground.

  15. 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

  16. Diode Laser Detection of Greenhouse Gases in the Near-Infrared Region by Wavelength Modulation Spectroscopy: Pressure Dependence of the Detection Sensitivity

    Directory of Open Access Journals (Sweden)

    Takashi Asakawa

    2010-05-01

    Full Text Available We have investigated the pressure dependence of the detection sensitivity of CO2, N2O and CH4 using wavelength modulation spectroscopy (WMS with distributed feed-back diode lasers in the near infrared region. The spectral line shapes and the background noise of the second harmonics (2f detection of the WMS were analyzed theoretically. We determined the optimum pressure conditions in the detection of CO2, N2O and CH4, by taking into consideration the background noise in the WMS. At the optimum total pressure for the detection of CO2, N2O and CH4, the limits of detection in the present system were determined.

  17. The potential of vibrational spectroscopy in the early detection of cervical cancer: an exciting emerging field

    Science.gov (United States)

    O Faolain, Eoghan; Hunter, Mary B.; Byrne, Joe M.; Kelehan, Peter; Byrne, Hugh J.; Lyng, Fiona M.

    2005-06-01

    The application of vibrational spectroscopy to disease diagnosis is a relatively new, rapidly evolving scientific field. Techniques such as Raman and infrared spectroscopy have shown great promise in this regard over the past number of years. This study directly compared Raman spectroscopy and synchrotron infrared (SR-IR) spectroscopy on parallel cervical cancer samples. Both frozen and dewaxed formalin fixed paraffin preserved tissue sections were examined. Both tissue types produced good quality Raman and SR-IR spectra, although the lesser processed, frozen tissue sections displayed the most detailed spectra. Spectroscopy was shown capable of discriminating between different cell types in normal cervical tissue. Spectra recorded from invasive carcinoma showed a marked difference from those recorded from normal cervical epithelial cells. Spectral differences identified with the onset of carcinogenesis include increased nucleic acid contributions and decreased glycogen levels. These investigations pave the way for an enlarged study into this exciting new diagnostic field.

  18. 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.

  19. 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.

  20. 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.

  1. 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.

  2. 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

  3. Optimization of detection device geometry for NIR spectroscopy using a three-layered model of stone fruit

    Science.gov (United States)

    Tan, Zuojun; Xie, Jing; Chen, Jianjun; Ding, Chizhu

    2016-09-01

    The influences of detection device geometry and fiber optic parameters on near infrared spectroscopy measurements were assessed using stone fruit models based on Monte Carlo simulation. The stone fruit was modeled as concentric spherical layered tissues including the skin, the flesh and the core. The choices of the detection angle, the diameter of the detection fiber, the numerical aperture, and the height of the probe were discussed. Receiving diffuse reflectance signals at detection angles in the range of 35°-50° and normalizing the detection signals by the collection area and the solid acceptance angle prior to use are suggested. Fiber probes with diameters D = 0.06 cm or 0.1 cm, NA = 0.20 or 0.30, and height h ≤ 0.8 cm are preferred. The probe deflection angle should be limited to within ±5° to guarantee measurement accuracy.

  4. 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)

  5. 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

  6. Developing and testing a multi-probe resonance electrical impedance spectroscopy system for detecting breast abnormalities

    Science.gov (United States)

    Gur, David; Zheng, Bin; Dhurjaty, Sreeram; Wolfe, Gene; Fradin, Mary; Weil, Richard; Sumkin, Jules; Zuley, Margarita

    2009-02-01

    In our previous study, we reported on the development and preliminary testing of a prototype resonance electrical impedance spectroscopy (REIS) system with a pair of probes. Although our pilot study on 150 young women ranging from 30 to 50 years old indicated the feasibility of using REIS output sweep signals to classify between the women who had negative examinations and those who would ultimately be recommended for biopsy, the detection sensitivity was relatively low. To improve performance when using REIS technology, we recently developed a new multi-probe based REIS system. The system consists of a sensor module box that can be easily lifted along a vertical support device to fit women of different height. Two user selectable breast placement "cups" with different curvatures are included in the system. Seven probes are mounted on each of the cups on opposing sides of the sensor box. By rotating the sensor box, the technologist can select the detection sensor cup that better fits the breast size of the woman being examined. One probe is mounted in the cup center for direct contact with the nipple and the other six probes are uniformly distributed along an outside circle to enable contact with six points on the outer and inner breast skin surfaces. The outer probes are located at a distance of 60mm away from the center (nipple) probe. The system automatically monitors the quality of the contact between the breast surface and each of the seven probes and data acquisition can only be initiated when adequate contact is confirmed. The measurement time for each breast is approximately 15 seconds during which time the system records 121 REIS signal sweep outputs generated from 200 KHz to 800 KHz at 5 KHz increments for all preselected probe pairs. Currently we are measuring 6 pairs between the center probe and each of six probes located on the outer circle as well as two pairs between probe pairs on the outer circle. This new REIS system has been installed in our

  7. 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.

  8. Combined ATR-FTIR and DFT Study of Cyclohexanone Adsorption on Hydrated TiO2 Anatase Surfaces

    NARCIS (Netherlands)

    Almeida, Ana Rita; Calatayud, Monica; Tielens, Frederik; Moulijn, Jacob A.; Mul, Guido

    2011-01-01

    The adsorption of cyclohexanone on different planes ((100), (101), and (001)) of anatase TiO2, with variable level of hydration, was evaluated by density functional theory (DFT) calculations. Surface hydration was found to affect the cyclohexanone adsorption enthalpy and the calculated infrared abso

  9. Cyclohexane photo-catalytic oxidation on TiO2, an in situ ATR-FTIR mechanistic and kinetic study

    NARCIS (Netherlands)

    Almeida, A.R.

    2010-01-01

    Chemical processes are generally operated at elevated temperatures and pressures, and energy intensive separations are usually necessary. This thesis focuses on the production of cyclohexanone, which is an intermediate of high commercial importance as a result of its use in nylon-6 and nylon-6,6 pro

  10. 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

  11. 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.

  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. 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...

  14. 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.

  15. 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.

  16. 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

  17. 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.

  18. 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

  19. 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

  20. 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

  1. Detection of cyanobacteria and methanogens embedded in Mars analogue minerals by the use of Raman spectroscopy

    Science.gov (United States)

    de Vera, J.-P. P.; Böttger, U.; Fritz, J.; Weber, I.; Malaszkiewicz, J.; Serrano, P.; Meessen, J.; Ott, S.; Wagner, D.; Hübers, H.-W.

    2012-04-01

    RLS (Raman Laser Spectrometer - one of the Pasteur Payload Instruments onboard ExoMars 2018) will perform Raman measurements on Mars to identify organic compounds and mineral products as an indication of biological activity. The measurements will be performed on crushed powdered samples inside the Rover's ALD (Analytical Laboratory Drawer). Raman analytics with the same specifications as those onboard the future ExoMars mission are conducted to test their potential of identifying biological material on martian analogue material. Appropriate measurement parameters for the detection of biological material as well as for the determination of the mineral composition will be derived. In addition, we report on problems using Raman spectroscopy to discriminate cells of microorganisms from the mineral background. Two organisms are chosen as test candidates for potential life on Mars: cyanobacteria and methane producing archaea. Prokaryotes like archaea and bacteria appeared on early Earth at least 3.8 to 3.5 billion years ago (Gya). At this time on Mars the climate was more temperate and wet compared to the present day as inferred from geological evidence for liquid water on the ancient martian surface. Thus life might have developed under similar conditions as on Earth or might have been transferred from Earth (or vice versa). Methane is known to be present on Mars, although the origin (if geothermal or biological activity) is still unknown. Cyanobacteria and prokaryotes using photosystem I belong to the oldest microbes on Earth. These organisms use pigments such as scytonemin and β-carotene as UV protection. Especially β-carotene emits a strong Raman signal. Raman analytics are used for detection of biofilm forming cyanobacteria Nostoc commune strain on the below described Mars analogue mineral mixtures. N. commune is known to be resistant to desiccation, UV B radiation and low temperatures, and thus suitable as a candidate for a potential life form on Mars

  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. 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.

  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. 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.

  6. 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.

  7. 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

  8. 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...

  9. Location and detection of explosive-contaminated human fingerprints on distant targets using standoff laser-induced breakdown spectroscopy

    Science.gov (United States)

    Lucena, P.; Gaona, I.; Moros, J.; Laserna, J. J.

    2013-07-01

    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.

  10. 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.)

  11. 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.

  12. 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.)

  13. 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

  14. 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.

  15. 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...

  16. Quantitative 19F MR spectroscopy at 3 T to detect heterogeneous capecitabine metabolism in human liver.

    NARCIS (Netherlands)

    Klomp, D.W.J.; Laarhoven, H.W.M. van; Scheenen, T.W.J.; Kamm, Y.J.L.; Heerschap, A.

    2007-01-01

    Chemotherapy in non-responding cancer patients leads to unnecessary toxicity. A marker is therefore required that can predict the sensitivity of a specific tumour to chemotherapy, which would enable individualisation of therapy. 19F MR spectroscopy (19F MRS) can be used to monitor the metabolism of

  17. MR spectroscopy detection of lactate and lipid signals in the brains of healthy elderly people

    NARCIS (Netherlands)

    Sijens, PE; den Heijer, T; de Leeuw, FE; de Groot, JC; Achten, E; Heijboer, RJJ; Hofman, A; Breteler, MMB; Oudkerk, M

    2001-01-01

    Magnetic resonance spectroscopy was used to assess the presence of brain lactate and lipid signals, frequently associated with the presence of pathology, in healthy persons of 60-90 years old (n = 540). Lactate and lipid signals were observed in, respectively, 25 and 6% of women, and 18 and 2% of me

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

    DEFF Research Database (Denmark)

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

    2015-01-01

    INTRODUCTION: Continuous non-invasive monitoring of cerebral blood flow (CBF) may be important during anaesthesia and several options are available. We evaluated the CerOx monitor that employs ultrasound tagged near infrared spectroscopy to estimate changes in a CBF index (CFI). METHODS: Seven...

  19. Early detection of dental fluorosis using Raman spectroscopy and principal component analysis.

    Science.gov (United States)

    González-Solís, José Luis; Martínez-Cano, Evelia; Magaña-López, Yolanda

    2015-08-01

    Raman spectroscopic technique has the potential to provide vibrational spectra of minerals by analyzing scattered light caused by monochromatic laser excitation. In this paper, recent applications of Raman spectroscopy in the study of dental hard tissues are reported. Special attention is given to mineral components in enamel and to calcium fluoride formed in/on enamel. The criteria used to classify the dental hard samples were according to the Dean Index (DI), which consists into healthy or control, mild, moderate, and severe, indicating the amount of dental fluorosis observed on enamel. A total of 39 dental samples (9 control, 9 mild, 10 moderate, and 11 severe) were analyzed in the study. Dental samples were positioned under an Olympus microscope, and around 10 points were chosen for Raman measurement. All spectra were collected by a Horiba Jobin-Yvon LabRAM HR800 Raman Spectrometer with a laser of 830-nm and 17-mW power irradiation. Raw spectra were processed by carrying out baseline correction, smoothing, and normalization to remove noise, florescence, and shot noise and then analyzed using principal component analysis (PCA). In the spectra of dental samples, we observed the main bands as the broad band due to CO[Formula: see text] (240-300 cm (-1)), CaF 2 (322 cm (-1)), PO[Formula: see text] vibrations (437 and 450 cm (-1)), PO[Formula: see text] vibrations (582, 598, and 609 cm (-1)), PO[Formula: see text] vibrations (960 cm (-1)), PO[Formula: see text] vibrations (1,045 cm (-1)), and CO[Formula: see text] vibration (1,073 cm (-1)). Nevertheless, the intensity of the band at 960 cm (-1) associated to symmetric stretch of phosphate, PO[Formula: see text], decreases as the amount of dental fluorosis increases, suggesting that the intensity of this band could be used to quantitatively measure the level of fluorosis on a dental sample. On the other hand, PCA allowed to identify two large clusters discriminating between control, and severe and moderate samples

  20. 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...

  1. Salmonella detection from chicken rinsate with surface enhanced Raman spectroscopy and RT-PCR validation

    Science.gov (United States)

    Optical detection of bacteria has been approached in recent years as a bacteria detection method that can counter time restraints of traditional plating or the high reoccurring cost of real-time polymerase chain reaction (RT-PCR). The goal of optical detection is to identify bacteria with spectral s...

  2. 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

  3. 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).

  4. 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.

  5. 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

  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. 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.

  8. 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...

  9. Structure and orientation of two voltage-dependent anion-selective channel isoforms. An attenuated total reflection fourier-transform infrared spectroscopy study.

    Science.gov (United States)

    Abrecht, H; Goormaghtigh, E; Ruysschaert, J M; Homble, F

    2000-12-29

    Two VDAC (voltage-dependent anion-selective channel) isoforms were purified from seed cotyledons of Phaseolus vulgaris by chromatofocusing chromatography. Attenuated total reflection Fourier-transform infrared (ATR-FTIR) spectroscopy was used to study the structural properties of the two isoforms reconstituted in a mixture of asolectin and 5% stigmasterol. The IR spectra of the two VDAC isoforms were highly similar indicating 50 to 53% anti-parallel beta-sheet. The orientation of the beta-strands relative to the barrel axis was calculated from the experimentally obtained dichroic ratios of the amide I beta-sheet component and the amide II band. Comparing the IR spectra of the reconstituted VDAC isoforms with the IR spectra of the bacterial porin OmpF, for which a high resolution structure is available, provided evidence for a general structural organization of the VDAC isoforms similar to that of bacterial porins. Hydrogen-deuterium exchange measurements indicated that the exchange of the amide protons occurs to a higher extent in the two VDAC isoforms than in the OmpF porin.

  10. Detecting salt deposition on a wind turbine blade using laser induced breakdown spectroscopy technique

    Science.gov (United States)

    Sathiesh Kumar, V.; Vasa, Nilesh J.; Sarathi, R.

    2013-07-01

    The study of pollution performance on a wind turbine blade due to lightning is important, as it can cause major damage to wind turbine blades. In the present work, optical emission spectroscopy (OES) technique is used to understand the influence of pollutant deposited on a wind turbine blade in an off-shore environment. A methodical experimental study was carried out by adopting IEC 60507 standards, and it was observed that the lightning discharge propagates at the interface between the pollutant and the glass fiber reinforced plastic (Material used in manufacturing of wind turbine blades). In addition, as a diagnostic condition monitoring technique, laser-induced breakdown spectroscopy (LIBS) is proposed and demonstrated to rank the severity of pollutant on the wind turbine blades from a remote area. Optical emission spectra observed during surface discharge process induced by lightning impulse voltage is in agreement with the spectra observed during LIBS.

  11. 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...

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

    Science.gov (United States)

    Irudayaraj, Joseph; Yang, Hong; Sakhamuri, Sivakesava

    2002-03-01

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

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

    Science.gov (United States)

    Zhang, Eric; Westberg, Jonas; Wysocki, Gerard

    2016-06-01

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

  14. 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

  15. 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...

  16. 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...

  17. 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.

  18. Novel method to detect nonexponential transients in deep level transient spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Thurber, W.R.; Forman, R.A.; Phillips, W.E.

    1982-11-01

    In conventional Deep Level Transient Spectroscopy (DLTS) measurements, the analysis of the results is based upon the assumption of an exponential current or capacitance transient. We present experimental and computational results on a novel experimental method for determining when the assumption of exponentiality is not satisfied by the sample under study. The measurement may be performed without any changes in the conventional double-boxcar DLTS system.

  19. 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...

  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. 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.

  2. 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.

  3. 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.

  4. All-Optical Detection of Acoustic Pressure Waves with applications in Photo-Acoustic Spectroscopy

    CERN Document Server

    Westergaard, Philip G

    2016-01-01

    An all-optical detection method for the detection of acoustic pressure waves is demonstrated. The detection system is based on a stripped (bare) single-mode fiber. The fiber vibrates as a standard cantilever and the optical output from the fiber is imaged to a displacement-sensitive optical detector. The absence of a conventional microphone makes the demonstrated system less susceptible to the effects that a hazardous environment might have on the sensor. The sensor is also useful for measurements in high temperature (above $200^{\\circ}$C) environments where conventional microphones will not operate. The proof-of-concept of the all-optical detection method is demonstrated by detecting sound waves generated by the photo-acoustic effect of NO$_2$ excited by a 455 nm LED, where a detection sensitivity of approximately 50 ppm was achieved.

  5. Detection of methemoglobin in whole blood based on confocal micro-Raman spectroscopy and multivariate statistical techniques.

    Science.gov (United States)

    Zhu, M F; Ye, X P; Huang, Y Y; Guo, Z Y; Zhuang, Z F; Liu, S H

    2014-01-01

    Raman spectroscopy has been shown to have the potential for revealing oxygenated and spin ability of hemoglobin. In this study, confocal micro-Raman spectroscopy is developed to monitor the effect of sodium nitrite on oxyhemoglobin (HbO2 ) in whole blood. We observe that the band at 1,638 cm(-1) which is sensitive to the oxidation state decreases dramatically, while the 1,586 cm(-1) (low-spin state band) reduces both in methemoglobin (MetHb) and poisoning blood. Our results show that adding in sodium nitrite lead to the transition from HbO2 (Fe(2+) ) to MetHb (Fe(3+) ) in whole blood, and the iron atom converts from the low spin state to the high spin state with a delocalization from porphyrin plane. Moreover, multivariate statistical techniques, including principal components analysis (PCA) and linear discriminant analysis (LDA) are employed to develop effective diagnostic algorithms for classification of spectra between pure blood and poisoning blood. The diagnostic algorithms based on PCA-LDA yield a diagnostic sensitivity of 100% and specificity of 100% for separating poisoning blood from normal blood. Receiver operating characteristic (ROC) curve further confirms the effectiveness of the diagnostic algorithm based on PCA-LDA technique. The results from this study demonstrate that Raman spectroscopy combined with PCA-LDA algorithms has tremendous potential for the non-invasive detection of nitrite poisoning blood. PMID:24729434

  6. Highly Sensitive Detection of Clenbuterol in Animal Urine Using Immunomagnetic Bead Treatment and Surface-Enhanced Raman Spectroscopy

    Science.gov (United States)

    Cheng, Jie; Su, Xiao-Ou; Wang, Shi; Zhao, Yiping

    2016-09-01

    Combining surface-enhanced Raman spectroscopy (SERS) of aggregated graphene oxide/gold nanoparticle hybrids with immunomagnetic bead sample preparation method, a highly sensitive strategy to determine the clenbuterol content in animal urine was developed. Based on a linear calibration curve of the SERS characteristic peak intensity of clenbuterol at Δv = 1474 cm-1 versus the spiked clenbuterol concentration in the range of 0.5-20 ng·mL-1, the quantity of clenbuterol in real animal urine samples can be determined and matches well with those determined by LC-MS/MS, while the detection time is significantly reduced to 15 min/sample. The limits of detection and quantification in the urine are 0.5 ng·mL-1 and 1 ng·mL-1, respectively, and the recovery clenbuterol rates are 82.8-92.4% with coefficients of variation animal farming.

  7. Single gold nanoparticles to enhance the detection of single fluorescent molecules at micromolar concentration using fluorescence correlation spectroscopy

    Science.gov (United States)

    Punj, Deep; Rigneault, Hervé; Wenger, Jérôme

    2014-05-01

    Single nanoparticles made of noble metals are strongly appealing to develop practical applications to detect fluorescent molecules in solution. Here, we detail the use of a single gold nanoparticle of 100 nm diameter to enhance the detection of single Alex Fluor 647 fluorescent molecules at high concentrations of several micromolar. We discuss the implementation of fluorescence correlation spectroscopy, and provide a new method to reliably extract the enhanced fluorescence signal stemming from the nanoparticle near-field from the background generated in the confocal volume. The applicability of our method is checked by reporting the invariance of the single molecule results as function of the molecular concentration, and the experimental data is found in good agreement with numerical simulations.

  8. Feasibility Study for Detection of Turnip yellow mosaic virus (TYMV Infection of Chinese Cabbage Plants Using Raman Spectroscopy

    Directory of Open Access Journals (Sweden)

    Saetbyeol Kim

    2013-03-01

    Full Text Available Raman spectroscopy provides many advantages compared to other common analytical techniques due to its ability of rapid and accurate identification of unknown specimens as well as simple sample preparation. Here, we described potential of Raman spectroscopic technique as an efficient and high throughput method to detect plants infected by economically important viruses. To enhance the detection sensitivity of Raman measurement, surface enhanced Raman scattering (SERS was employed. Spectra of extracts from healthy and Turnip yellow mosaic virus (TYMV infected Chinese cabbage leaves were collected by mixing with gold (Au nanoparticles. Our result showed that TYMV infected plants could be discriminated from non-infected healthy plants, suggesting the current method described here would be an alternative potential tool to screen virus-infection of plants in fields although it needs more studies to generalize the technique.

  9. 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.

  10. 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.

  11. The detection of carbon dioxide leaks using quasi-tomographic laser absorption spectroscopy measurements in variable wind

    Directory of Open Access Journals (Sweden)

    Z. H. Levine

    2015-11-01

    Full Text Available Laser Absorption Spectroscopy (LAS has been used over the last several decades for the measurement of trace gasses in the atmosphere. For over a decade, LAS measurements from multiple sources and tens of retroreflectors have been combined with sparse-sample tomography methods to estimate the 2-D distribution of trace gas concentrations and underlying fluxes from pointlike sources. In this work, we consider the ability of such a system to detect and estimate the position and rate of a single point leak which may arise as a failure mode for carbon dioxide storage. The leak is assumed to be at a constant rate giving rise to a plume with a concentration and distribution that depend on the wind velocity. We demonstrate the ability of our approach to detect a leak using numerical simulation and a preliminary measurement.

  12. 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.

  13. 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...

  14. Comparison between visible/ NIR spectroscopy and hyperspectral imaging for detecting surface contaminants on poultry carcasses

    Science.gov (United States)

    The U. S. Department of Agriculture, Agricultural Research Service has been developing a method and system to detect fecal contamination on processed poultry carcasses with hyperspectral and multispectral imaging systems. The patented method utilizes a three step approach to contaminant detection. S...

  15. 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

  16. 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.

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

    Science.gov (United States)

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

    2016-02-01

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

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

    Science.gov (United States)

    Gayo, Javier; Hale, Scott A

    2007-02-01

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

  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. 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.

  1. Detection of a large valley-orbit splitting in silicon with two-donor spectroscopy.

    Science.gov (United States)

    Roche, B; Dupont-Ferrier, E; Voisin, B; Cobian, M; Jehl, X; Wacquez, R; Vinet, M; Niquet, Y-M; Sanquer, M

    2012-05-18

    We measure a large valley-orbit splitting for shallow isolated phosphorus donors in a silicon gated nanowire. This splitting is close to the bulk value and well above previous reports in silicon nanostructures. It was determined using a double dopant transport spectroscopy which eliminates artifacts induced by the environment. Quantitative simulations taking into account the position of the donors with respect to the Si/SiO2 interface and electric field in the wire show that the values found are consistent with the device geometry.

  2. 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.

  3. 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

    2009-11-26

    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.

  4. Detection of deoxyribonucleic acid (DNA) targets using polymerase chain reaction (PCR) and paper surface-enhanced Raman spectroscopy (SERS) chromatography.

    Science.gov (United States)

    Hoppmann, Eric P; Yu, Wei W; White, Ian M

    2014-01-01

    Surface-enhanced Raman spectroscopy (SERS) enables multiplex detection of analytes using simple, portable equipment consisting of a single excitation source and detector. Thus, in theory, SERS is ideally suited to replace fluorescence in assays that screen for numerous deoxyribonucleic acid (DNA) targets, but in practice, SERS-based assays have suffered from complexity and elaborate processing steps. Here, we report an assay in which a simple inkjet-fabricated plasmonic paper device enables SERS-based detection of multiple DNA targets within a single polymerase chain reaction (PCR). In prior work, we demonstrated the principles of chromatographic separation and SERS-based detection on inkjet-fabricated plasmonic paper. The present work extends that capability for post-PCR gene sequence detection. In this design, hydrolysis DNA probes with 5' Raman labels are utilized; if the target is present, the probe is hydrolyzed during PCR, freeing the reporter. After applying the PCR sample to a paper SERS device, an on-device chromatographic separation and concentration is conducted to discriminate between hydrolyzed and intact probes. SERS is then used to detect the reporter released by the hydrolyzed probes. This simple separation and detection on paper eliminates the need for complex sample processing steps. In this work, we simultaneously detect the methicillin-resistant Staphylococcus aureus genes mecA and femB to illustrate the concept. We envision that this approach could contribute to the development of multiplex DNA diagnostic tests enabling screening for several target sequences within a single reaction, which is necessary for cases in which sample volume and resources are limited.

  5. 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.

  6. 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.

  7. 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)

  8. 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.

  9. 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.

  10. 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

  11. 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.

  12. 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

  13. Single molecule detection of 4-dimethylaminoazobenzene by surface-enhanced Raman spectroscopy

    Science.gov (United States)

    Zhang, Z. L.; Yin, Y. F.; Jiang, J. W.; Mo, Y. J.

    2009-02-01

    4-Dimethylaminoazobenzene (DAB) is anticipated to be a human carcinogen based on sufficient evidence of carcinogenicity in experimental animals. The trace detection of DAB is of great significance in environmental protection and safe life of the people. To test the availability of DAB trace detection using surface-enhanced Raman scattering (SERS), the SERS spectra of DAB single molecules adsorbed on the silver particle aggregates in colloid were investigated. The phenomena of blinking, spectral diffusion, and intensity fluctuations of the vibrational lines in the SERS spectra were observed. Statistical analysis of spectral intensity fluctuations indicates a multimodal distribution of some specific Raman bands, which are consistent with the identification of single molecule detection. Our results demonstrated that SERS can be applied to the trace detection of DAB molecules and other azo dyes.

  14. 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.

  15. 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 ...

  16. 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.

  17. Detection of trace amount of arsenic in groundwater by laser-induced breakdown spectroscopy and adsorption

    Science.gov (United States)

    Haider, A. F. M. Y.; Hedayet Ullah, M.; Khan, Z. H.; Kabir, Firoza; Abedin, K. M.

    2014-03-01

    LIBS technique coupled with adsorption has been applied for the efficient detection of arsenic in liquid. Several adsorbents like tea leaves, bamboo slice, charcoal and zinc oxide have been used to enable sensitive detection of arsenic presence in water using LIBS. Among these, zinc oxide and charcoal show the better results. The detection limits for arsenic in water were 1 ppm and 8 ppm, respectively, when ZnO and charcoal were used as adsorbents of arsenic. To date, the determination of 1 ppm of As in water is the lowest concentration of detected arsenic in water by the LIBS technique. The detection limit of As was lowered to even less than 100 ppb by a combination of LIBS technique, adsorption by ZnO and concentration enhancement technique. Using the combination of these three techniques the ultimate concentration of arsenic was found to be 0.083 ppm (83 ppb) for arsenic polluted water collected from a tube-well of Farajikandi union (longitude 90.64°, latitude 23.338° north) of Matlab Upozila of Chandpur district in Bangladesh. This result compares fairly well with the finding of arsenic concentration of 0.078 ppm in the sample by the AAS technique at the Bangladesh Council of Scientific and Industrial Research (BCSIR) lab. Such a low detection limit (1 ppm) of trace elements in liquid matrix has significantly enhanced the scope of LIBS as an analytical tool.

  18. 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.

  19. Standoff Detection of Geological Samples of Metal, Rock, and Soil at Low Pressures Using Laser-Induced Breakdown Spectroscopy.

    Science.gov (United States)

    Choi, Jae-Jun; Choi, Soo-Jin; Yoh, Jack J

    2016-09-01

    Categorized certified reference materials simulating metal, rock, soils, or dusts are used to demonstrate the standoff detection capability of laser-induced breakdown spectroscopy (LIBS) at severely low pressure conditions. A Q-switched Nd:YAG laser operating at 1064 nm with 17.2-50 mJ energy per pulse was used to obtain sample signals from a distance of 5.5 m; the detection sensitivity at pressures down to 0.01 torr was also analyzed. The signal intensity response to pressure changes is explained by the ionization energy and electronegativity of elements, and from the estimated full width half-maximum (FWHM) and electron density, the decrease in both background noise and line broadening makes it suitable for low pressure detection using the current standoff LIBS configuration. The univariate analyses further showed high correlation coefficients for geological samples. Therefore, the present work has extended the current state-of-the-art of standoff LIBS aimed at harsh environment detection. PMID:27566256

  20. Detection of sulfonamide drug in urine using liquid-liquid extraction and surface-enhanced Raman spectroscopy

    Science.gov (United States)

    Markina, Natalia E.; Shalabay, Victoria V.; Zakharevich, Andrey M.; Markin, Alexey V.

    2016-04-01

    In this article we have applied liquid-liquid extraction (LLE) as a sample preparation technique for detection of sulfadimethoxine (one of sulfonamide drugs) in urine using surface-enhanced Raman spectroscopy (SERS). SERS substrate based on silver nanoparticles has been prepared by citrate reduction of silver nitrate. Obtained calibration curve (SERS intensity vs. sulfadimethoxine concentration) has been used for detection of sulfadimethoxine in human urine samples artificially contaminated by sulfadimethoxine. Three different solvents (ethyl acetate, diethyl ether, chloroform) have been used for LLE performance tests. Chloroform being found as the most effective one based on calculation of recoveries after SERS measurements. Thus we would like to propose fast (less than 20 minutes), simple and sensitive (detection limit up to 1 μg/ml) test for detecting sulfa drugs in urine using a combination of SERS with LLE with sample volume as low as 100 μL. Such test can be applied for evaluation of the degree of drug extraction from human body and half-life of such drug applied in the course of therapeutic treatments of certain diseases.