IR Cards: Inquiry-Based Introduction to Infrared Spectroscopy

Science.gov (United States)

Bennett, Jacqueline; Forster, Tabetha

2010-01-01

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

Phase-Sensitive Control Of Molecular Dissociation Through Attosecond Pump/Strong-Field Mid-IR Probe Spectroscopy

Science.gov (United States)

2016-04-15

splitter (consisting of a thin, uncoated, silicon plate at brewsters angle) and the beams were focused onto the OPA crystal. For this work two...experiments in the future. These technologies include • Two-color driven (EUV/mid-IR) ion spectroscopy: we designed an interferometer combining EUV...isolated single-femtosecond EUV pulse generation: combining the use of low ionization threshold gas, an annual near-IR drive beam , polarization

Visualizing Infrared (IR) Spectroscopy with Computer Animation

Science.gov (United States)

Abrams, Charles B.; Fine, Leonard W.

1996-01-01

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

Mid-IR and far-IR investigation of AgI-doped silver diborate glasses

International Nuclear Information System (INIS)

Hudgens, J.J.; Martin, S.W.

1996-01-01

The structures of xAgI+(1-x)Ag 2 O·2B 2 O 3 glasses, where 0.2≤x≤0.6, have been investigated using mid- and far-infrared spectroscopy. The mid-IR spectra revealed that in those glasses prepared using AgNO 3 as the starting material for Ag 2 O, the BO 4 - /BO 3 ratio is constant with increasing amounts of AgI as would be expected form the proposed behavior of AgI in these glasses. However, a survey of the literature revealed those glasses prepared from pure Ag 2 O show a strong linear dependence of the BO 4 - /BO 3 ratio on AgI content. Most probably, in those glasses prepared with Ag 2 O the Ag 2 O/B 2 O 3 ratio changes with AgI content due to the decomposition of Ag 2 O during melting. This different behavior is associated with AgNO 3 decomposing to Ag 2 O with heating followed by incorporation into the glassy network. For Ag 2 O used directly, it is proposed that it decomposes to Ag metal and O 2 (gas) with heating before it can be incorporated into the borate network. This latter behavior decreases with increasing AgI in the batch composition because AgI lowers the liquidus temperature of the melt considerably. The far-IR analysis of the AgI-doped silver diborate glasses suggests that there are three coordination environments for the Ag + ions; one with iodide anions and the other two with oxygen ions. It is proposed that the separate oxygen coordination environments for the Ag + ions arise from one with bridging oxygens of BO 4 - units, and the other with nonbridging oxygens on BO 3 - units. Furthermore, it is proposed that the Ag + ions in the iodide-ion environments progressively agglomerate into disordered regions of AgI, but do not form structures similar to α-AgI. (Abstract Truncated)

Metal-Mesh Optical Filter Technology for Mid IR, Far IR, and Submillimeter, Phase II

Data.gov (United States)

National Aeronautics and Space Administration — The innovative, high transmission band-pass filter technology proposed here is an improvement in multilayer metal-mesh filter design and manufacture for the far IR...

Isolated Gramicidin Peptides Probed by IR Spectroscopy

NARCIS (Netherlands)

Rijs, A. M.; Kabelac, M.; Abo-Riziq, A.; Hobza, P.; de Vries, M. S.

2011-01-01

We report double-resonant IR/UV ion-dip spectroscopy of neutral gramicidin peptides in the gas phase. The IR spectra of gramicidin A and C, recorded in both the 1000 cm(-1) to 1800 cm(-1) and the 2700 to 3750 cm(-1) region, allow structural analysis. By studying this broad IR range, various local

Enhancing the sensitivity of mid-IR quantum cascade laser-based cavity-enhanced absorption spectroscopy using RF current perturbation.

Science.gov (United States)

Manfred, Katherine M; Kirkbride, James M R; Ciaffoni, Luca; Peverall, Robert; Ritchie, Grant A D

2014-12-15

The sensitivity of mid-IR quantum cascade laser (QCL) off-axis cavity-enhanced absorption spectroscopy (CEAS), often limited by cavity mode structure and diffraction losses, was enhanced by applying a broadband RF noise to the laser current. A pump-probe measurement demonstrated that the addition of bandwidth-limited white noise effectively increased the laser linewidth, thereby reducing mode structure associated with CEAS. The broadband noise source offers a more sensitive, more robust alternative to applying single-frequency noise to the laser. Analysis of CEAS measurements of a CO(2) absorption feature at 1890  cm(-1) averaged over 100 ms yielded a minimum detectable absorption of 5.5×10(-3)  Hz(-1/2) in the presence of broadband RF perturbation, nearly a tenfold improvement over the unperturbed regime. The short acquisition time makes this technique suitable for breath applications requiring breath-by-breath gas concentration information.

IR Spectroscopy. An introduction

International Nuclear Information System (INIS)

Guenzler, H.; Gremlich, H.U.

2002-01-01

The following topics are dealt with: absorption and molecular design, spectrometers, sample preparation, qualitative spectral interpretation and assertions, near-infrared and far-infrared spectroscopy, reference spectra and expert systems

Recent Advances in Laboratory Infrared Spectroscopy of Polycyclic Aromatic Hydrocarbons: PAHs in the Far Infrared

Science.gov (United States)

Mattioda, Andrew L.; Ricca, Alessandra; Tucker, Jonathan; Boersma, Christiaan; Bauschlicher, Charles, Jr.; Allamandola, Louis J.

2010-01-01

Over 25 years of observations and laboratory work have shown that the mid-IR spectra of a majority of astronomical sources are dominated by emission features near 3.3, 6.2, 7.7, and 11.2 microns, which originate in free polycyclic aromatic hydrocarbon (PAH) molecules. PAHs dominate the mid-IR emission from many galactic and extragalactic objects. As such, this material tracks a wide variety of astronomical processes, making this spectrum a powerful probe of the cosmos Apart from bands in the mid-IR, PAHs have bands spanning the Far-IR (FIR) and emission from these FIR features should be present in astronomical sources showing the Mid-IR PAH bands. However, with one exception, the FIR spectral characteristics are known only for a few neutral small PAHs trapped in salt pellets or oils at room temperature, data which is not relevant to astrophysics. Furthermore, since most emitting PAHs responsible for the mid-IR astronomical features are ionized, the absence of any experimental or theoretical PAH ion FIR spectra will make it impossible to correctly interpret the FIR data from these objects. In view of the upcoming Herschel space telescope mission and SOFIA's FIR airborne instrumentation, which will pioneer the FIR region, it is now urgent to obtain PAH FIR spectra. This talk will present an overview recent advances in the laboratory spectroscopy of PAHs, Highlighting the FIR spectroscopy along with some quantum calculations.

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

Science.gov (United States)

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

2016-03-01

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

Differentiation of Leishmania species by FT-IR spectroscopy

Science.gov (United States)

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

2015-05-01

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

Application of FT-IR spectroscopy on breast cancer serum analysis

Science.gov (United States)

Elmi, Fatemeh; Movaghar, Afshin Fayyaz; Elmi, Maryam Mitra; Alinezhad, Heshmatollah; Nikbakhsh, Novin

2017-12-01

Breast cancer is regarded as the most malignant tumor among women throughout the world. Therefore, early detection and proper diagnostic methods have been known to help save women's lives. Fourier Transform Infrared (FT-IR) spectroscopy, coupled with PCA-LDA analysis, is a new technique to investigate the characteristics of serum in breast cancer. In this study, 43 breast cancer and 43 healthy serum samples were collected, and the FT-IR spectra were recorded for each one. Then, PCA analysis and linear discriminant analysis (LDA) were used to analyze the spectral data. The results showed that there were differences between the spectra of the two groups. Discriminating wavenumbers were associated with several spectral differences over the 950-1200 cm- 1(sugar), 1190-1350 cm- 1 (collagen), 1475-1710 cm- 1 (protein), 1710-1760 cm- 1 (ester), 2800-3000 cm- 1 (stretching motions of -CH2 & -CH3), and 3090-3700 cm- 1 (NH stretching) regions. PCA-LDA performance on serum IR could recognize changes between the control and the breast cancer cases. The diagnostic accuracy, sensitivity, and specificity of PCA-LDA analysis for 3000-3600 cm- 1 (NH stretching) were found to be 83%, 84%, 74% for the control and 80%, 76%, 72% for the breast cancer cases, respectively. The results showed that the major spectral differences between the two groups were related to the differences in protein conformation in serum samples. It can be concluded that FT-IR spectroscopy, together with multivariate data analysis, is able to discriminate between breast cancer and healthy serum samples.

Coherent atomic and molecular spectroscopy in the far infrared

International Nuclear Information System (INIS)

Inguscio, M.

1988-01-01

Recent advances in far infrared spectroscopy of atoms (fine structure transitions) and molecules (rotational transitions) are reviewed. Results obtained by means of Laser Magnetic Resonance, using fixed frequency lasers, and Tunable Far Infrared spectrometers are illustrated. The importance of far infrared spectroscopy for several fields, including astrophysics, atmospheric physics, atomic structure and metology, is discussed. (orig.)

Detecting infrared luminescence and non-chemical signaling of living cells: single cell mid-IR spectroscopy in cryogenic environments

Science.gov (United States)

Pereverzev, Sergey

2017-02-01

Many life-relevant interaction energies are in IR range, and it is reasonable to believe that some biochemical reactions inside cells can results in emission of IR photons. Cells can use this emission for non-chemical and non-electrical signaling. Detecting weak infrared radiation from live cells is complicated because of strong thermal radiation background and absorption of radiation by tissues. A microfluidic device with live cells inside a vacuum cryogenic environment should suppress this background, and thereby permit observation of live cell auto-luminescence or signaling in the IR regime. One can make IR-transparent windows not emitting in this range, so only the cell and a small amount of liquid around it will emit infrared radiation. Currently mid-IR spectroscopy of single cells requires the use of a synchrotron source to measure absorption or reflection spectra. Decreasing of thermal radiation background will allow absorption and reflection spectroscopy of cells without using synchrotron light. Moreover, cell auto-luminescence can be directly measured. The complete absence of thermal background radiation for cryogenically cooled samples allows the use IR photon-sensitive detectors and obtaining single molecule sensitivity in IR photo-luminescence measurements. Due to low photon energies, photo-luminescence measurements will be non-distractive for pressures samples. The technique described here is based upon US patent 9366574.

Generation of pulsed far-infrared radiation and its application for far-infrared time-resolved spectroscopy

Energy Technology Data Exchange (ETDEWEB)

Kondo, Yasuhiro [Tohoku Univ., Sendai (Japan). Faculty of Engineering

1996-07-01

So-called time-resolved spectroscopy technique has been used from old time as the means for studying the dynamic optical property, light-induced reaction and so on of matters. As an example, there is the method called pump and probe, and here, the wavelength of this probe light is the problem. If the object energy region is limited to about 0.1 eV, fast time-resolved spectroscopy is feasible relatively easily. However, energy region is extended to low energy region, the light source which is available as the pulsed probe light having sufficient intensity is limited. In this paper, the attempt of time-resolved spectroscopy utilizing coherent radiation, which has ended in failure, and the laser pulse-induced far-infrared radiation which can be utilized as new far-infrared probe light are reported. The reason why far-infrared radiation is used is explained. The attempt of time-resolved spectroscopy using NaCl crystals is reported on the equipment, the method of measuring absorption spectra and the results. Laser pulse-induced far-infrared radiation and the method of generating it are described. The multi-channel detector for far-infrared radiation which was made for trial is shown. (K.I.)

Linearly Polarized IR Spectroscopy Theory and Applications for Structural Analysis

CERN Document Server

Kolev, Tsonko

2011-01-01

A technique that is useful in the study of pharmaceutical products and biological molecules, polarization IR spectroscopy has undergone continuous development since it first emerged almost 100 years ago. Capturing the state of the science as it exists today, "Linearly Polarized IR Spectroscopy: Theory and Applications for Structural Analysis" demonstrates how the technique can be properly utilized to obtain important information about the structure and spectral properties of oriented compounds. The book starts with the theoretical basis of linear-dichroic infrared (IR-LD) spectroscop

Progress in far-infrared spectroscopy: Approximately 1890 to 1970

Science.gov (United States)

Mitsuishi, Akiyoshi

2014-03-01

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

Development of Silicon-substrate Based Fabry-Perot Etalons for far-IR Astrophysics

Science.gov (United States)

Stacey, Gordon

We propose to design, construct and test silicon-substrate-based (SSB) mirrors necessary for high performance Fabry-Perot interferometers (FPIs) to be used in the 25-40 um mid-IR band. These mirrors will be fabricated from silicon wafers that are anti-reflection coated (ARC) by micromachining an artificial dielectric meta-material on one side, and depositing optimized gold-metalized patterns on the other. Two mirrors with the metalized surfaces facing one-another form the Fabry-Perot cavity, also known as the FPI etalon. The exterior surfaces of the silicon mirrors are anti-reflection coated for both good transmission in the science band, and to prevent unwanted parasitic FPI cavities from forming between the four surfaces (one anti-reflection coated, one metalized for each mirror) of the FPI etalon. The mirrors will be tested within a Miniature Cryogenic Scanning Fabry-Perot (MCSF) that we have designed through support of a previous NASA grant (NNX09AB95G). This design is based on our long experience in constructing and using scanning FPI in the mid-IR to submm range, and fits within test-beds we have on hand that are suitable for both warm and cold tests. The key technologies are the ARC and tuned mirrors that are enabled by silicon nano-machining techniques. The creation of these SSB mirrors promises greatly improved performance over previous versions of mid-IR to submm-band FPIs that are based on mirrors made from free-standing metal mesh stretched over support rings. Performance is improved both structurally and in terms of sensitivity, and is measured as the product of the cavity finesse times transmission. Our electromagnetic modeling suggests that SSB mirrors will improve this product by a factor of 2 over the best free standing mesh etalons available. This translates into a factor of sqrt(2) improvement in sensitivity per etalon, or a full factor of 2 when used in a tandem (dual etalon) FPI spectrometer. The SSB improvements are due to both the stiff (~ 0

Hydrogen Bonding in Proteins and Water Studied by Far-IR and Low-Wavenumber Raman Spectroscopy

International Nuclear Information System (INIS)

Greve, Tanja Maria; Birklund Andersen, Kristine; Engdahl, Anders; Nelander, Bengt; Faurskov Nielsen, Ole

2008-01-01

Far-IR spectra with a synchrotron radiation source were for the first time recorded through a microscope coupled to an FTIR-spectrometer. A comparison with spectra recorded with an ordinary globar source revealed that no artifacts occurred with synchrotron radiation. A comparison of ATR (Si-prism) and transmission spectra of a tetrapeptide showed that the ATR-microscope technique could be applied. ATR- and transmission spectra were recorded of polyglycine and compared to the low wavenumber Raman spectrum in the R(v)-representation. A protein band at 115-125 cm -1 was assigned to hydrogen bond modes. Collectively these modes might drive conformational changes in proteins. Based mainly on previously published results the determination of water with a structure like that in bulk liquid water was performed for human and animal skin samples. Changes in water content were reported for freezing and thawing of human skin biopsies and for human skin with benign or malignant skin diseases.

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

Science.gov (United States)

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

2006-05-01

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

Photon-Counting Kinetic Inductance Detectors (KID) for Far/Mid-Infrared Space Spectroscopy with the Origins Space Telescope (OST)

Science.gov (United States)

Noroozian, Omid; Barrentine, Emily M.; Stevenson, Thomas R.; Brown, Ari D.; Moseley, Samuel Harvey; Wollack, Edward; Pontoppidan, Klaus Martin; U-Yen, Konpop; Mikula, Vilem

2018-01-01

Photon-counting detectors are highly desirable for reaching the ~ 10-20 W/√Hz power sensitivity permitted by the Origins Space Telescope (OST). We are developing unique Kinetic Inductance Detectors (KIDs) with photon counting capability in the far/mid-IR. Combined with an on-chip far-IR spectrometer onboard OST these detectors will enable a new data set for exploring galaxy evolution and the growth of structure in the Universe. Mid-IR spectroscopic surveys using these detectors will enable mapping the composition of key volatiles in planet-forming material around protoplanetary disks and their evolution into solar systems. While these OST science objectives represent a well-organized community agreement they are impossible to reach without a significant leap forward in detector technology, and the OST is likely not to be recommended if a path to suitable detectors does not exist.To reach the required sensitivity we are experimenting with superconducting resonators made from thin aluminum films on single-crystal silicon substrates. Under the right conditions, small-volume inductors made from these films can become ultra-sensitive to single photons >90 GHz. Understanding the physics of these superconductor-dielectric systems is critical to performance. We achieved a very high quality factor of 0.5 x 106 for a 10-nm Al resonator at n ~ 1 microwave photon drive power, by far the highest value for such thin films in the literature. We measured a residual electron density of detector when illuminated with randomly arriving photon events. Our results show that photon counting with >95% efficiency at 0.5 - 1.0 THz is achievable.We report on these developments and discuss plans to test in our facility through funding from our recently awarded ROSES-APRA grant and Roman Technology Fellowship award.

Development of optics and microwave multiplexers for far-IR and millimeter detector arrays

Data.gov (United States)

National Aeronautics and Space Administration — The future of experimental cosmology and astrophysics is intimately tied to the progress of remote sensing technology of millimeter and far-IR instruments. I will...

Isolated Gramicidin Peptides Probed by IR Spectroscopy

Czech Academy of Sciences Publication Activity Database

Rijs, A. M.; Kabeláč, Martin; Abo-Riziq, A.; Hobza, Pavel; de Vries, M. S.

2011-01-01

Roč. 12, č. 10 (2011), s. 1816-1821 ISSN 1439-4235 R&D Projects: GA MŠk LC512; GA AV ČR IAA400550808 Institutional research plan: CEZ:AV0Z40550506 Keywords : density functional calculations * gramicidin * IR spectroscopy * protein folding Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 3.412, year: 2011

Photodissociation Spectroscopy of Cold Protonated Synephrine: Surprising Differences between IR-UV Hole-Burning and IR Photodissociation Spectroscopy of the O-H and N-H Modes.

Science.gov (United States)

Nieuwjaer, N; Desfrançois, C; Lecomte, F; Manil, B; Soorkia, S; Broquier, M; Grégoire, G

2018-04-19

We report the UV and IR photofragmentation spectroscopies of protonated synephrine in a cryogenically cooled Paul trap. Single (UV or IR) and double (UV-UV and IR-UV) resonance spectroscopies have been performed and compared to quantum chemistry calculations, allowing the assignment of the lowest-energy conformer with two rotamers depending on the orientation of the phenol hydroxyl (OH) group. The IR-UV hole burning spectrum exhibits the four expected vibrational modes in the 3 μm region, i.e., the phenol OH, C β -OH, and two NH 2 + stretches. The striking difference is that, among these modes, only the free phenol OH mode is active through IRPD. The protonated amino group acts as a proton donor in the internal hydrogen bond and displays large frequency shifts upon isomerization expected during the multiphoton absorption process, leading to the so-called IRMPD transparency. More interestingly, while the C β -OH is a proton acceptor group with moderate frequency shift for the different conformations, this mode is still inactive through IRPD.

Exploration of the Infrared Sensitivity for a ZnSe Electrode of an IR Image Converter

Science.gov (United States)

Kurt, H. Hilal

2018-05-01

Significant improvement has been carried out in the field of the II-VI group semiconductor device technology. Semiconductors based on the II-VI group are attractive due to their alternative uses for thermal imaging systems and photonic applications. This study focuses on experimental work on the optical, electrical and structural characterization of an infrared (IR) photodetector zinc selenide (ZnSe). In addition, the IR sensitivity of the ZnSe has primarily been investigated by exploiting the IR responses of the material for various gas pressures, p, and interelectrode distances, d, in the IR converter. The experimental findings include the results of plasma current and plasma discharge emission under various illumination conditions in the IR region. The electron density distributions inside the gas discharge gap have also been simulated in two-dimensional media. Experimentally, the current-voltage, current-time, and discharge light emission plots are produced for a wide experimental parameter range. Consequently, the structural and optical properties have been studied through atomic force microscopy and Fourier-transform infrared spectroscopy techniques to obtain a comprehensive knowledge of the material.

Far IR spectra of Th(IV) halide complexes of some heterocyclic bases

International Nuclear Information System (INIS)

Srivastava, A.K.; Agarwal, R.K.; Srivastava, M.; Kapoor, V.; Srivastava, T.N.

1981-01-01

The synthesis and IR spectra of Th(IV) perchlorato, nitrato and thiocyanato complexes of some heterocyclic bases have been reported. Halogens are common ligands in coordination chemistry forming coordinate bonds with metals readily. Metal halogen (M-X) stretching bands show a strong absorption in the far-IR region. Very little information is available on Th-X stretching frequencies. In the present communication, adducts of Th(IV) halide with certain nitrogen heterocyclic bases such as pyridine, α-picoline, 2-amino pyridine, 2:4-lutidine, 2:6-lutidine, quinoline, 2,2'-bipyridine and 1,10-phenanthroline were synthesised and characterised. Experimental details are given. Results are presented and discussed. (author)

Molecular orientation in aligned electrospun polyimide nanofibers by polarized FT-IR spectroscopy.

Science.gov (United States)

Yang, Haoqi; Jiang, Shaohua; Fang, Hong; Hu, Xiaowu; Duan, Gaigai; Hou, Haoqing

2018-07-05

Quantitative explanation on the improved mechanical properties of aligned electrospun polyimide (PI) nanofibers as the increased imidization temperatures is highly required. In this work, polarized FT-IR spectroscopy is applied to solve this problem. Based on the polarized FT-IR spectroscopy and the molecular model in the fibers, the length of the repeat unit of PI molecule, the angle between the fiber axis and the symmetric stretching direction of carbonyl group on the imide ring, and the angle between the PI molecular axis and fiber axis are all investigated. The Mark-Howink equation is used to calculate the number-average molar mass of PI molecules. The orientation states of PI molecules in the electrospun nanofibers are studied from the number-average molar mass of PI molecules and the average fiber diameter. Quantitative analysis of the orientation factor of PI molecules in the electrospun nanofibers is performed by polarized FT-IR spectroscopy. Copyright © 2018 Elsevier B.V. All rights reserved.

Monolayer Graphene Bolometer as a Sensitive Far-IR Detector

Science.gov (United States)

Karasik, Boris S.; McKitterick, Christopher B.; Prober, Daniel E.

2014-01-01

In this paper we give a detailed analysis of the expected sensitivity and operating conditions in the power detection mode of a hot-electron bolometer (HEB) made from a few micro m(sup 2) of monolayer graphene (MLG) flake which can be embedded into either a planar antenna or waveguide circuit via NbN (or NbTiN) superconducting contacts with critical temperature approx. 14 K. Recent data on the strength of the electron-phonon coupling are used in the present analysis and the contribution of the readout noise to the Noise Equivalent Power (NEP) is explicitly computed. The readout scheme utilizes Johnson Noise Thermometry (JNT) allowing for Frequency-Domain Multiplexing (FDM) using narrowband filter coupling of the HEBs. In general, the filter bandwidth and the summing amplifier noise have a significant effect on the overall system sensitivity.

Highly sensitive room temperature ammonia gas sensor based on Ir-doped Pt porous ceramic electrodes

Energy Technology Data Exchange (ETDEWEB)

Liu, Wenlong [College of pharmacy and biological engineering, Chengdu University, Chengdu, 610106 (China); Department of chemical and materials engineering, National Chin-Yi University of Technology, Taichung 411, Taiwan (China); Liu, Yen-Yu [Department of chemical and materials engineering, Tunghai University, Taichung 407, Taiwan (China); Do, Jing-Shan, E-mail: jsdo@ncut.edu.tw [Department of chemical and materials engineering, National Chin-Yi University of Technology, Taichung 411, Taiwan (China); Li, Jing, E-mail: lijing@cdu.edu.cn [College of pharmacy and biological engineering, Chengdu University, Chengdu, 610106 (China)

2016-12-30

Highlights: • Water vapors seem to hugely improve the electrochemical activity of the Pt and Pt-Ir porous ceramic electrodes. • The gas sensors based on the Pt and Pt-Ir alloy electrodes possess good sensing performances. • The reaction path of the ammonia on platinum has been discussed. - Abstract: Room temperature NH{sub 3} gas sensors based on Pt and Pt-Ir (Ir doping Pt) porous ceramic electrodes have been fabricated by both electroplating and sputtering methods. The properties of the gaseous ammonia sensors have been examined by polarization and chronoamperometry techniques. The influence of humidity on the features of the resulting sensors in the system has also been discussed, and the working potential was optimized. Water vapors seem to hugely improve the electrochemical activity of the electrode. With increasing the relative humidity, the response of the Pt-Ir(E)/Pt(S)/PCP sensor to NH{sub 3} gas could be enhanced remarkably, and the sensitivity increases from 1.14 to 12.06 μA ppm{sup −1} cm{sup −2} .Then we have also discussed the sensing mechanism of the Pt-Ir sensor and the result has been confirmed by X-ray photoelectron spectroscopy of the electrode surface before and after reaction in the end.

Discrimination of edible oils and fats by combination of multivariate pattern recognition and FT-IR spectroscopy: A comparative study between different modeling methods

Science.gov (United States)

Javidnia, Katayoun; Parish, Maryam; Karimi, Sadegh; Hemmateenejad, Bahram

2013-03-01

By using FT-IR spectroscopy, many researchers from different disciplines enrich the experimental complexity of their research for obtaining more precise information. Moreover chemometrics techniques have boosted the use of IR instruments. In the present study we aimed to emphasize on the power of FT-IR spectroscopy for discrimination between different oil samples (especially fat from vegetable oils). Also our data were used to compare the performance of different classification methods. FT-IR transmittance spectra of oil samples (Corn, Colona, Sunflower, Soya, Olive, and Butter) were measured in the wave-number interval of 450-4000 cm-1. Classification analysis was performed utilizing PLS-DA, interval PLS-DA, extended canonical variate analysis (ECVA) and interval ECVA methods. The effect of data preprocessing by extended multiplicative signal correction was investigated. Whilst all employed method could distinguish butter from vegetable oils, iECVA resulted in the best performances for calibration and external test set with 100% sensitivity and specificity.

Far-IR transparency and dynamic infrared signature control with novel conducting polymer systems

Science.gov (United States)

Chandrasekhar, Prasanna; Dooley, T. J.

1995-09-01

Materials which possess transparency, coupled with active controllability of this transparency in the infrared (IR), are today an increasingly important requirement, for varied applications. These applications include windows for IR sensors, IR-region flat panel displays used in camouflage as well as in communication and sight through night-vision goggles, coatings with dynamically controllable IR-emissivity, and thermal conservation coatings. Among stringent requirements for these applications are large dynamic ranges (color contrast), 'multi-color' or broad-band characteristics, extended cyclability, long memory retention, matrix addressability, small area fabricability, low power consumption, and environmental stability. Among materials possessing the requirements for variation of IR signature, conducting polymers (CPs) appear to be the only materials with dynamic, actively controllable signature and acceptable dynamic range. Conventional CPs such as poly(alkyl thiophene), poly(pyrrole) or poly(aniline) show very limited dynamic range, especially in the far-IR, while also showing poor transparency. We have developed a number of novel CP systems ('system' implying the CP, the selected dopant, the synthesis method, and the electrolyte) with very wide dynamic range (up to 90% in both important IR regions, 3 - 5 (mu) and 8 - 12 (mu) ), high cyclability (to 105 cycles with less than 10% optical degradation), nearly indefinite optical memory retention, matrix addressability of multi-pixel displays, very wide operating temperature and excellent environmental stability, low charge capacity, and processability into areas from less than 1 mm2 to more than 100 cm2. The criteria used to design and arrive at these CP systems, together with representative IR signature data, are presented in this paper.

Synchrotron-based far-infrared spectroscopy of nickel tungstate

International Nuclear Information System (INIS)

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

2016-01-01

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

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.

Far-infrared spectroscopy of neutral interstellar clouds

International Nuclear Information System (INIS)

Watson, D.M.

1984-01-01

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

Mid IR-fiber spectroscopy in the 2-17μm range

Science.gov (United States)

Artyushenko, Viatcheslav G.; Bocharnikov, A.; Colquhoun, Gary; Leach, Clive A.; Lobachov, Vladimir; Pirogova, Lyudmila; Sakharova, Tatjana; Savitskij, Dmitrij; Ezhevskaya, Tatjana; Bublikov, Alexandr

2007-10-01

The latest development in IR-fibre optics enables us to expand the spectral range of process spectroscopy from 2μm out to 17μm (5000 to 600cm-1) i.e. into the most informative "finger-print" part of the spectrum. Mid-IR wavelength ranges from 2 to 6-10μm may be covered by Chalcogenide IR-glass CIR-fibres while Polycrystalline PIR-fibres made of Silver Halides solid solutions transmit 4-17 μm wavelength radiation. PIR-fibre immersion ATR probes and Transmission/Reflection probes had been manufactured and successfully tested with different FTIR spectrometers in the field of remote spectroscopy for forensic substances identification, chemical reaction control, and monitoring of exhaust or exhalation gases. Using these techniques no sample preparation is necessary for fibre probes to measure evanescent, reflection and transmission spectra, in situ and in real time. QCL spectrometer may be used as a portable device for multispectral gas analysis at 1ppb level of detectivity for various applications in environmental pollution monitoring.

Raman and IR-ATR spectroscopy studies of heteroepitaxial structures with a GaN:C top layer

Science.gov (United States)

Cerqueira, M. F.; Vieira, L. G.; Alves, A.; Correia, R.; Huber, M.; Andreev, A.; Bonanni, A.; Vasilevskiy, M. I.

2017-09-01

This work, motivated by the technologically important task of determination of carbon dopant location in the GaN crystal lattice, employed Raman spectroscopy, with both resonant and non-resonant excitation, and infrared (IR) spectroscopy, in the attenuated total reflection (ATR) configuration, to study lattice vibration modes in a set of carbon-doped GaN (GaN:C) epilayers grown by metalorganic vapour phase epitaxy. We analyse Raman and IR-ATR spectra from the point of view of possible effects of the carbon doping, namely: (i) local vibration mode of C atoms in the nitrogen sublattice (whose frequency we theoretically estimate as 768 cm-1 using an isotope defect model), and (ii) shift in the positions of longitudinal modes owing to the phonon-plasmon coupling. We find only indirect hints of the doping effect on the resonant Raman spectra. However, we show theoretically and confirm experimentally that the IR-ATR spectroscopy can be a much more sensitive tool for this purpose, at least for the considered structures. A weak perturbation of the dielectric function of GaN:C, caused by the substitutional carbon impurity, is shown to produce a measurable dip in the ATR reflectivity spectra at  ≈770 cm-1 for both p- and s-polarizations. Moreover, it influences a specific (guided-wave type) mode observed at  ≈737 cm-1, originating from the GaN layer, which appears in the narrow frequency window where the real parts of the two components of the dielectric tensor of the hexagonal crystal have opposite signs. This interpretation is supported by our modelling of the whole multilayer structure, using a transfer matrix formalism.

Time-domain SFG spectroscopy using mid-IR pulse shaping: practical and intrinsic advantages.

Science.gov (United States)

Laaser, Jennifer E; Xiong, Wei; Zanni, Martin T

2011-03-24

Sum-frequency generation (SFG) spectroscopy is a ubiquitous tool in the surface sciences. It provides infrared transition frequencies and line shapes that probe the structure and environment of molecules at interfaces. In this article, we apply techniques learned from the multidimensional spectroscopy community to SFG spectroscopy. We implement balanced heterodyne detection to remove scatter and the local oscillator background. Heterodyning also separates the resonant and nonresonant signals by acquiring both the real and imaginary parts of the spectrum. We utilize mid-IR pulse shaping to control the phase and delay of the mid-IR pump pulse. Pulse shaping allows phase cycling for data collection in the rotating frame and additional background subtraction. We also demonstrate time-domain data collection, which is a Fourier transform technique, and has many advantages in signal throughput, frequency resolution, and line shape accuracy over existing frequency domain methods. To demonstrate time-domain SFG spectroscopy, we study an aryl isocyanide on gold, and find that the system has an inhomogeneous structural distribution, in agreement with computational results, but which was not resolved by previous frequency-domain SFG studies. The ability to rapidly and actively manipulate the mid-IR pulse in an SFG pules sequence makes possible new experiments and more accurate spectra. © 2011 American Chemical Society

Evaluation of Turmeric Powder Adulterated with Metanil Yellow Using FT-Raman and FT-IR Spectroscopy

Directory of Open Access Journals (Sweden)

Sagar Dhakal

2016-05-01

Full Text Available Turmeric powder (Curcuma longa L. is valued both for its medicinal properties and for its popular culinary use, such as being a component in curry powder. Due to its high demand in international trade, turmeric powder has been subject to economically driven, hazardous chemical adulteration. This study utilized Fourier Transform-Raman (FT-Raman and Fourier Transform-Infra Red (FT-IR spectroscopy as separate but complementary methods for detecting metanil yellow adulteration of turmeric powder. Sample mixtures of turmeric powder and metanil yellow were prepared at concentrations of 30%, 25%, 20%, 15%, 10%, 5%, 1%, and 0.01% (w/w. FT-Raman and FT-IR spectra were acquired for these mixture samples as well as for pure samples of turmeric powder and metanil yellow. Spectral analysis showed that the FT-IR method in this study could detect the metanil yellow at the 5% concentration, while the FT-Raman method appeared to be more sensitive and could detect the metanil yellow at the 1% concentration. Relationships between metanil yellow spectral peak intensities and metanil yellow concentration were established using representative peaks at FT-Raman 1406 cm−1 and FT-IR 1140 cm−1 with correlation coefficients of 0.93 and 0.95, respectively.

Far-infrared spectroscopy of lanthanide-based molecular magnetic materials

Energy Technology Data Exchange (ETDEWEB)

Haas, Sabrina

2015-05-13

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

The structure of salt bridges between Arg(+) and Glu(-) in peptides investigated with 2D-IR spectroscopy: Evidence for two distinct hydrogen-bond geometries.

Science.gov (United States)

Huerta-Viga, Adriana; Amirjalayer, Saeed; Domingos, Sérgio R; Meuzelaar, Heleen; Rupenyan, Alisa; Woutersen, Sander

2015-06-07

Salt bridges play an important role in protein folding and in supramolecular chemistry, but they are difficult to detect and characterize in solution. Here, we investigate salt bridges between glutamate (Glu(-)) and arginine (Arg(+)) using two-dimensional infrared (2D-IR) spectroscopy. The 2D-IR spectrum of a salt-bridged dimer shows cross peaks between the vibrational modes of Glu(-) and Arg(+), which provide a sensitive structural probe of Glu(-)⋯Arg(+) salt bridges. We use this probe to investigate a β-turn locked by a salt bridge, an α-helical peptide whose structure is stabilized by salt bridges, and a coiled coil that is stabilized by intra- and intermolecular salt bridges. We detect a bidentate salt bridge in the β-turn, a monodentate one in the α-helical peptide, and both salt-bridge geometries in the coiled coil. To our knowledge, this is the first time 2D-IR has been used to probe tertiary side chain interactions in peptides, and our results show that 2D-IR spectroscopy is a powerful method for investigating salt bridges in solution.

Far-infrared vibrational modes of DNA components studied by terahertz time-domain spectroscopy

International Nuclear Information System (INIS)

Fischer, B M; Walther, M; Jepsen, P Uhd

2002-01-01

The far-infrared dielectric function of a wide range of organic molecules is dominated by vibrations involving a substantial fraction of the atoms forming the molecule and motion associated with intermolecular hydrogen bond vibrations. Due to their collective nature such modes are highly sensitive to the intra- and intermolecular structure and thus provide a unique fingerprint of the conformational state of the molecule and effects of its environment. We demonstrate the use of terahertz time-domain spectroscopy (THz-TDS) for recording the far-infrared (0.5-4.0 THz) dielectric function of the four nucleobases and corresponding nucleosides forming the building blocks of deoxyribose nucleic acid (DNA). We observe numerous distinct spectral features with large differences between the molecules in both frequency-dependent absorption coefficient and index of refraction. Assisted by results from density-functional calculations we interpret the origin of the observed resonances as vibrations of hydrogen bonds between the molecules

Laser Spark Formamide Decomposition Studied by FT-IR Spectroscopy

Czech Academy of Sciences Publication Activity Database

Ferus, Martin; Kubelík, Petr; Civiš, Svatopluk

2011-01-01

Roč. 115, č. 44 (2011), s. 12132-12141 ISSN 1089-5639 R&D Projects: GA AV ČR IAA400400705; GA AV ČR IAAX00100903; GA ČR GAP208/10/2302 Institutional research plan: CEZ:AV0Z40400503 Keywords : FT-IR spectroscopy * high-power laser * induced dielectric-breakdown Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 2.946, year: 2011

The discrimination of 72 nitrate, chlorate and perchlorate salts using IR and Raman spectroscopy

Science.gov (United States)

Zapata, Félix; García-Ruiz, Carmen

2018-01-01

Inorganic oxidizing energetic salts including nitrates, chlorates and perchlorates are widely used in the manufacture of not only licit pyrotechnic compositions, but also illicit homemade explosive mixtures. Their identification in forensic laboratories is usually accomplished by either capillary electrophoresis or ion chromatography, with the disadvantage of dissociating the salt into its ions. On the contrary, vibrational spectroscopy, including IR and Raman, enables the non-invasive identification of the salt, i.e. avoiding its dissociation. This study focuses on the discrimination of all nitrate, chlorate and perchlorate salts that are commercially available, using both Raman and IR spectroscopy, with the aim of testing whether every salt can be unequivocally identified. Besides the visual spectra comparison by assigning every band with the corresponding molecular vibrational mode, a statistical analysis based on Pearson correlation was performed to ensure an objective identification, either using Raman, IR or both. Positively, 25 salts (out of 72) were unequivocally identified using Raman, 30 salts when using IR and 44 when combining both techniques. Negatively, some salts were undistinguishable even using both techniques demonstrating there are some salts that provide very similar Raman and IR spectra.

Combined IR-Raman vs vibrational sum-frequency heterospectral correlation spectroscopy

Science.gov (United States)

Roy, Sandra; Beutier, Clémentine; Hore, Dennis K.

2018-06-01

Vibrational sum-frequency generation spectroscopy is a valuable probe of surface structure, particularly when the same molecules are present in one of the adjacent bulk solid or solution phases. As a result of the non-centrosymmetric requirement of SFG, the signal generated is a marker of the extent to which the molecules are ordered in an arrangement that breaks the up-down symmetry at the surface. In cases where the accompanying changes in the bulk are of interest in understanding and interpreting the surface structure, simultaneous analysis of the bulk IR absorption or bulk Raman scattering is helpful, and may be used in heterospectral surface-bulk two-dimensional correlation. We demonstrate that, in such cases, generating a new type of bulk spectrum that combines the IR and Raman amplitudes is a better candidate than the individual IR and Raman spectra for the purpose of correlation with the SFG signal.

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

Directory of Open Access Journals (Sweden)

Muhammad Ali Mallah

2011-12-01

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

Far Infrared High Resolution Synchrotron FTIR Spectroscopy of the Low Frequency Bending Modes of Dmso

Science.gov (United States)

Cuisset, Arnaud; Smirnova, Irina; Bocquet, Robin; Hindle, Francis; Mouret, Gael; Sadovskii, Dmitrii A.; Pirali, Olivier; Roy, Pascale

2010-06-01

In addition to its importance for industrial and environmental studies, the monitoring of DiMethylSulfOxyde (DMSO, (CH_3)_2SO) concentrations is of considerable interest for civil protection. The existing high resolution gas phase spectroscopic data of DMSO only concerned the pure rotational transitions in the ground state. In the Far-IR domain, the low-frequency rovibrational transitions have never previously resolved. The high brightness of the AILES beamline of the synchrotron SOLEIL and the instrumental sensitivity provided by the multipass cell allowed to measure for the first time these transitions. 1581 A-type and C-type transitions in the ν11 band have been assigned and 25 molecular constants of Watson's s-form hamiltonian developed to degree 8 have been fitted within the experimental accuracy. The use of then synchrotron radiation has opened many possibilities for new spectroscopic studies. Together with several other recent studies, our successful measurement and analysis of DMSO convincingly demonstrates the potential of the AILES beamline for high resolution FIR spectroscopy. Thus our present work is just at the beginning of unraveling the rovibrational structure of low frequency bending and torsional vibrational states of DMSO and yielding important comprehensive structural and spectroscopic information on this molecule. L. Margules, R. A. Motienko, E. A. Alekseev, J. Demaison, J. Molec. Spectrosc., 260(23),2009 V. Typke, M. Dakkouri, J. Molec. Struct., 599(177),2001 A. Cuisset, L. Nanobashvili, I. Smirnova, R. Bocquet, F. Hindle, G. Mouret, O. Pirali, P. Roy, D. Sadovskii, Chem. Phys. Lett., accepted for publication

Probing Gas Adsorption in Zeolites by Variable-Temperature IR Spectroscopy: An Overview of Current Research.

Science.gov (United States)

Garrone, Edoardo; Delgado, Montserrat R; Bonelli, Barbara; Arean, Carlos O

2017-09-15

The current state of the art in the application of variable-temperature IR (VTIR) spectroscopy to the study of (i) adsorption sites in zeolites, including dual cation sites; (ii) the structure of adsorption complexes and (iii) gas-solid interaction energy is reviewed. The main focus is placed on the potential use of zeolites for gas separation, purification and transport, but possible extension to the field of heterogeneous catalysis is also envisaged. A critical comparison with classical IR spectroscopy and adsorption calorimetry shows that the main merits of VTIR spectroscopy are (i) its ability to provide simultaneously the spectroscopic signature of the adsorption complex and the standard enthalpy change involved in the adsorption process; and (ii) the enhanced potential of VTIR to be site specific in favorable cases.

Conceptual thermal design and analysis of a far-infrared/mid-infrared remote sensing instrument

Science.gov (United States)

Roettker, William A.

1992-07-01

This paper presents the conceptual thermal design and analysis results for the Spectroscopy of the Atmosphere using Far-Infrared Emission (SAFIRE) instrument. SAFIRE has been proposed for Mission to Planet Earth to study ozone chemistry in the middle atmosphere using remote sensing of the atmosphere in the far-infrared (21-87 microns) and mid-infrared (9-16 microns) spectra. SAFIRE requires that far-IR detectors be cooled to 3-4 K and mid-IR detectors to 80 K for the expected mission lifetime of five years. A superfluid helium dewar and Stirling-cycle cryocoolers provide the cryogenic temperatures required by the infrared detectors. The proposed instrument thermal design uses passive thermal control techniques to reject 465 watts of waste heat from the instrument.

Solid Acid-Catalyzed Cellulose Hydrolysis Monitored by In Situ ATR-IR Spectroscopy

NARCIS (Netherlands)

Zakzeski, J.; Grisel, R.J.H.; Smit, A.T.; Weckhuysen, B.M.

2012-01-01

The solid acid-catalyzed hydrolysis of cellulose was studied under elevated temperatures and autogenous pressures using in situ ATR-IR spectroscopy. Standards of cellulose and pure reaction products, which include glucose, fructose, hydroxymethylfurfural (HMF), levulinic acid (LA), formic acid, and

Dual time-resolved temperature-jump fluorescence and infrared spectroscopy for the study of fast protein dynamics.

Science.gov (United States)

Davis, Caitlin M; Reddish, Michael J; Dyer, R Brian

2017-05-05

Time-resolved temperature-jump (T-jump) coupled with fluorescence and infrared (IR) spectroscopy is a powerful technique for monitoring protein dynamics. Although IR spectroscopy of the polypeptide amide I mode is more technically challenging, it offers complementary information because it directly probes changes in the protein backbone, whereas, fluorescence spectroscopy is sensitive to the environment of specific side chains. With the advent of widely tunable quantum cascade lasers (QCL) it is possible to efficiently probe multiple IR frequencies with high sensitivity and reproducibility. Here we describe a dual time-resolved T-jump fluorescence and IR spectrometer and its application to study protein folding dynamics. A Q-switched Ho:YAG laser provides the T-jump source for both time-resolved IR and fluorescence spectroscopy, which are probed by a QCL and Ti:Sapphire laser, respectively. The Ho:YAG laser simultaneously pumps the time-resolved IR and fluorescence spectrometers. The instrument has high sensitivity, with an IR absorbance detection limit of jump induced difference spectrum from 50ns to 0.5ms. This study demonstrates the power of the dual time-resolved T-jump fluorescence and IR spectroscopy to resolve complex folding mechanisms by complementary IR absorbance and fluorescence measurements of protein dynamics. Copyright © 2017 Elsevier B.V. All rights reserved.

Perforated SiN membrane resonators for nanomechanical IR spectroscopy poster

DEFF Research Database (Denmark)

Kurek, Maksymilian; Carnoy, Matthias; Boisen, Anja

Constant progress in micro- and nanofabrication provides a great opportunity in development of micro- and nanomechanical resonatorsthat can be used for sensing purposes. These sensors usually consist of singly-clamped cantilever beams, doubly-clamped bridges ormembranes that exhibit resonant......, lateral dimension of1×1 mm2 and 2 µm perforation grid pitch were used instead of strings which makes the IR beam alignment significantly simpler whilemaintaining similar sampling efficiency and photothermal IR absorption sensitivity....

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.

IV-VI mid-IR tunable lasers and detectors with external resonant cavities

Science.gov (United States)

Zogg, H.; Rahim, M.; Khiar, A.; Fill, M.; Felder, F.; Quack, N.; Blunier, S.; Dual, J.

2009-08-01

Wavelength tunable emitters and detectors in the mid-IR wavelength region allow applications including thermal imaging and spectroscopy. Such devices may be realized using a resonant cavity. By mechanically changing the cavity length with MEMS mirror techniques, the wavelengths may be tuned over a considerable range. Vertical external cavity surface emitting lasers (VECSEL) may be applied for gas spectroscopy. Resonant cavity enhanced detectors (RCED) are sensitive at the cavity resonance only. They may be applied for low resolution spectroscopy, and, when arrays of such detectors are realized, as multicolor IR-FPA or IR-AFPA (IR-adaptive focal plane arrays). We review mid-infrared RCEDs and VECSELs using narrow gap IV-VI (lead chalcogenide) materials like PbTe and PbSe as the active medium. IV-VIs are fault tolerant and allow easy wavelength tuning. The VECSELs operate up to above room temperature and emit in the 4 - 5 μm range with a PbSe active layer. RCEDs with PbTe absorbing layers above 200 K operating temperature have higher sensitivities than the theoretical limit for a similar broad-band detector coupled with a passive tunable band-filter.

High resolution spectroscopy in the microwave and far infrared

Science.gov (United States)

Pickett, Herbert M.

1990-01-01

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

Far-infrared ferroelectric soft mode spectroscopy on thin films

Czech Academy of Sciences Publication Activity Database

Petzelt, Jan; Ostapchuk, Tetyana

2001-01-01

Roč. 249, 1-2 (2001), s. 81-88 ISSN 0015-0193 R&D Projects: GA ČR GA202/98/1282; GA AV ČR IAA1010918; GA MŠk OC 514.10 Institutional research plan: CEZ:AV0Z1010914 Keywords : far-infrared spectroscopy * soft mode * dielectric spectra * permitivity Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 0.471, year: 2001

Drift and transmission FT-IR spectroscopy of forest soils: an approach to determine decomposition processes of forest litter

International Nuclear Information System (INIS)

Haberhauer, G.; Gerzabek, M.H.

1999-06-01

A method is described to characterize organic soil layers using Fourier transformed infrared spectroscopy. The applicability of FT-IR, either dispersive or transmission, to investigate decomposition processes of spruce litter in soil originating from three different forest sites in two climatic regions was studied. Spectral information of transmission and diffuse reflection FT-IR spectra was analyzed and compared. For data evaluation Kubelka Munk (KM) transformation was applied to the DRIFT spectra. Sample preparation for DRIFT is simpler and less time consuming in comparison to transmission FT-IR, which uses KBr pellets. A variety of bands characteristics of molecular structures and functional groups has been identified for these complex samples. Analysis of both transmission FT-IR and DRIFT, showed that the intensity of distinct bands is a measure of the decomposition of forest litter. Interferences due to water adsorption spectra were reduced by DRIFT measurement in comparison to transmission FT-IR spectroscopy. However, data analysis revealed that intensity changes of several bands of DRIFT and transmission FT-IR were significantly correlated with soil horizons. The application of regression models enables identification and differentiation of organic forest soil horizons and allows to determine the decomposition status of soil organic matter in distinct layers. On the basis of the data presented in this study, it may be concluded that FT-IR spectroscopy is a powerful tool for the investigation of decomposition dynamics in forest soils. (author)

IR-IR Conformation Specific Spectroscopy of Na+(Glucose) Adducts

Science.gov (United States)

Voss, Jonathan M.; Kregel, Steven J.; Fischer, Kaitlyn C.; Garand, Etienne

2018-01-01

We report an IR-IR double resonance study of the structural landscape present in the Na+(glucose) complex. Our experimental approach involves minimal modifications to a typical IR predissociation setup, and can be carried out via ion-dip or isomer-burning methods, providing additional flexibility to suit different experimental needs. In the current study, the single-laser IR predissociation spectrum of Na+(glucose), which clearly indicates contributions from multiple structures, was experimentally disentangled to reveal the presence of three α-conformers and five β-conformers. Comparisons with calculations show that these eight conformations correspond to the lowest energy gas-phase structures with distinctive Na+ coordination. [Figure not available: see fulltext.

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

Science.gov (United States)

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

2014-01-01

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

The TApIR experiment. IR absorption spectra of liquid hydrogen isotopologues; Das TApIR Experiment IR-Absorptionsspektren fluessiger Wasserstoffisotopologe

Energy Technology Data Exchange (ETDEWEB)

Groessle, Robin

2015-11-27

The scope of the thesis is the infrared absorption spectroscopy of liquid hydrogen isotopologues with the tritium absorption infrared spectroscopy (TApIR) experiment at the tritium laboratory Karlsruhe (TLK). The calibration process from the sample preparation to the reference measurements are described. A further issue is the classical evaluation of FTIR absorption spectra and the extension using the rolling circle filter (RCF) including the effects on statistical and systematical errors. The impact of thermal and nuclear spin temperature on the IR absorption spectra is discussed. An empirical based modeling for the IR absorption spectra of liquid hydrogen isotopologues is performed.

Effect of Water on HEMA Conversion by FT-IR Spectroscopy

Directory of Open Access Journals (Sweden)

TS. Jafarzadeh Kashi

2007-09-01

Full Text Available Objective: The use of HEMA as a biocompatible material in dentin bonding systems and its potential for clinical applications has been well established. Excess water can affect conversion of bonding resins. The aim of this study was to survey the effect of water on the degree of conversion of HEMA by Fourier Transform Infra-red Spectroscopy (FT-IR.Materials and Methods: In this experimental study, distilled water was added in amounts of 0, 0.05, 0.1, 0.2, and 0.4 ml to 1 ml of curable HEMA solution. Six repetitions per wa-ter ratio were made and investigated. Each sample was polymerized for 60 seconds. De-gree of conversion was obtained from the absorbance IR-Spectrum of the materials before and after polymerization by FT-IR spectroscopy. One way ANOVA and Tukey-HSD were carried out to compare and detect any differences among groups.Results: Statistical analysis indicates highly significant difference between pairs of groups at level (P<0.001. The results showed a trend of decreasing in HEMA conversion with increasing water. Degree of conversion changes significantly within the 0.05 ml to 0.2 ml water range. However, degree of conversion did not change after reaching 0.02 ml and before 0.05.Conclusion: Degree of conversion of HEMA decreased by increasing water. The most dramatic effect of water on the polymerization process occurs within a range which exists under clinical conditions. The reason that the degree of conversion did not show signifi-cant result before 0.05 ml may be related to the hydrophilic nature of HEMA.

β-Isocyanoalanine as an IR probe: comparison of vibrational dynamics between isonitrile and nitrile-derivatized IR probes.

Science.gov (United States)

Maj, Michał; Ahn, Changwoo; Kossowska, Dorota; Park, Kwanghee; Kwak, Kyungwon; Han, Hogyu; Cho, Minhaeng

2015-05-07

An infrared (IR) probe based on isonitrile (NC)-derivatized alanine 1 was synthesized and the vibrational properties of its NC stretching mode were investigated using FTIR and femtosecond IR pump-probe spectroscopy. It is found that the NC stretching mode is very sensitive to the hydrogen-bonding ability of solvent molecules. Moreover, its transition dipole strength is larger than that of nitrile (CN) in nitrile-derivatized IR probe 2. The vibrational lifetime of the NC stretching mode is found to be 5.5 ± 0.2 ps in both D2O and DMF solvents, which is several times longer than that of the azido (N3) stretching mode in azido-derivatized IR probe 3. Altogether these properties suggest that the NC group can be a very promising sensing moiety of IR probes for studying the solvation structure and dynamics of biomolecules.

Multi-pollutants sensors based on near-IR telecom lasers and mid-IR difference frequency generation: development and applications; Instruments de mesure multi-polluants par spectroscopie infrarouge bases sur des lasers fibres et par generation de difference de frequences: developpement et applications

Energy Technology Data Exchange (ETDEWEB)

Cousin, J

2006-12-15

At present the detection of VOC and other anthropic trace pollutants is an important challenge in the measurement of air quality. Infrared spectroscopy, allowing spectral regions rich in molecular absorption to be probed, is a suitable technique for in-situ monitoring of the air pollution. Thus the aim of this work was to develop instruments capable of detecting multiple pollutants for in-situ monitoring by IR spectroscopy. A first project benefited from the availability of the telecommunications lasers emitting in near-IR. This instrument was based on an external cavity diode laser (1500 - 1640 nm) in conjunction with a multipass cell (100 m). The detection sensitivity was optimised by employing a balanced detection and a sweep integration procedure. The instrument developed is deployable for in-situ measurements with a sensitivity of < 10{sup -8} cm{sup -1} Hz{sup -1/2} and allowed the quantification of chemical species such as CO{sub 2}, CO, C{sub 2}H{sub 2}, CH{sub 4} and the determination of the isotopic ratio {sup 13}CO{sub 2}/{sup 12}CO{sub 2} in combustion environment The second project consisted in mixing two near-IR fiber lasers in a non-linear crystal (PPLN) in order to produce a laser radiation by difference frequency generation in the middle-IR (3.15 - 3.43 {mu}m), where the absorption bands of the molecules are the most intense. The first studies with this source were carried out on detection of ethylene (C{sub 2}H{sub 4}) and benzene (C{sub 6}H{sub 6}). Developments, characterizations and applications of these instruments in the near and middle IR are detailed and the advantages of the 2 spectral ranges is highlighted. (author)

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

Energy Technology Data Exchange (ETDEWEB)

Steill, Jeffrey D. [Sandia National Lab. (SNL-CA), Livermore, CA (United States); Huang, Haifeng [Sandia National Lab. (SNL-CA), Livermore, CA (United States); Hoops, Alexandra A. [Sandia National Lab. (SNL-CA), Livermore, CA (United States); Patterson, Brian D. [Sandia National Lab. (SNL-CA), Livermore, CA (United States); Birtola, Salvatore R. [Sandia National Lab. (SNL-CA), Livermore, CA (United States); Jaska, Mark [Sandia National Lab. (SNL-CA), Livermore, CA (United States); Strecker, Kevin E. [Sandia National Lab. (SNL-CA), Livermore, CA (United States); Chandler, David W. [Sandia National Lab. (SNL-CA), Livermore, CA (United States); Bisson, Soott [Sandia National Lab. (SNL-CA), Livermore, CA (United States)

2014-09-01

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

Rapid identification of Pterocarpus santalinus and Dalbergia louvelii by FTIR and 2D correlation IR spectroscopy

Science.gov (United States)

Zhang, Fang-Da; Xu, Chang-Hua; Li, Ming-Yu; Huang, An-Min; Sun, Su-Qin

2014-07-01

Since Pterocarpus santalinus and Dalbergia louvelii, which are of precious Rosewood, are very similar in their appearance and anatomy characteristics, cheaper Hongmu D. louvelii is often illegally used to impersonate valuable P. santalinus, especially in Chinese furniture manufacture. In order to develop a rapid and effective method for easy confused wood furniture differentiation, we applied tri-step identification method, i.e., conventional infrared spectroscopy (FT-IR), second derivative infrared (SD-IR) spectroscopy and two-dimensional correlation infrared (2DCOS-IR) spectroscopy to investigate P. santalinus and D. louvelii furniture. According to FT-IR and SD-IR spectra, it has been found two unconditional stable difference at 848 cm-1 and 700 cm-1 and relative stable differences at 1735 cm-1, 1623 cm-1, 1614 cm-1, 1602 cm-1, 1509 cm-1, 1456 cm-1, 1200 cm-1, 1158 cm-1, 1055 cm-1, 1034 cm-1 and 895 cm-1 between D. louvelii and P. santalinus IR spectra. The stable discrepancy indicates that the category of extractives is different between the two species. Besides, the relative stable differences imply that the content of holocellulose in P. santalinus is more than that of D. louvelii, whereas the quantity of extractives in D. louvelii is higher. Furthermore, evident differences have been observed in their 2DCOS-IR spectra of 1550-1415 cm-1 and 1325-1030 cm-1. P. santalinus has two strong auto-peaks at 1459 cm-1 and 1467 cm-1, three mid-strong auto-peaks at 1518 cm-1, 1089 cm-1 and 1100 cm-1 and five weak auto-peaks at 1432 cm-1, 1437 cm-1, 1046 cm-1, 1056 cm-1 and 1307 cm-1 while D. louvelii has four strong auto-peaks at 1465 cm-1, 1523 cm-1, 1084 cm-1 and 1100 cm-1, four mid-strong auto-peaks at 1430 cm-1, 1499 cm-1, 1505 cm-1 and 1056 cm-1 and two auto-peaks at 1540 cm-1 and 1284 cm-1. This study has proved that FT-IR integrated with 2DCOS-IR could be applicable for precious wood furniture authentication in a direct, rapid and holistic manner.

High Purity GaAs Far IR Photoconductor With Enhanced Quantum Efficieny, Phase I

Data.gov (United States)

National Aeronautics and Space Administration — This proposal introduces an innovative concept aimed to significantly enhance the quantum efficiency of a far-infrared GaAs photoconductor and achieve sensitivity...

Sensitivity Calibration of Far-Ultraviolet Imaging Spectrograph

Directory of Open Access Journals (Sweden)

I. -J. Kim

2004-12-01

Full Text Available We describe the in-flight sensitivity calibration of the Far ultraviolet Imaging Spectrograph (FIMS, also known as SPEAR onboard the first Korean science satellite, STSAT-1, which was launched in September 2003. The sensitivity calibration is based on a comparison of the FIMS observations of the hot white dwarf G191B2B, and two O-type stars Alpha-Cam, HD93521 with the HUT (Hopkins Ultraviolet Telescope observations. The FIMS observations for the calibration targets have been conducted from November 2003 through May 2004. The effective areas calculated from the targets are compared with each other.

Collaborative Student Laboratory Exercise Using FT-IR Spectroscopy for the Kinetics Study of a Biotin Analogue

Science.gov (United States)

Leong, Jhaque; Ackroyd, Nathan C.; Ho, Karen

2014-01-01

The synthesis of N-methoxycarbonyl-2-imidazolidone, an analogue of biotin, was conducted by organic chemistry students and confirmed using FT-IR and H NMR. Spectroscopy students used FT-IR to measure the rate of hydrolysis of the product and determined the rate constant for the reaction using the integrated rate law. From the magnitude of the rate…

METS-IR, a novel score to evaluate insulin sensitivity, is predictive of visceral adiposity and incident type 2 diabetes.

Science.gov (United States)

Bello-Chavolla, Omar Yaxmehen; Almeda-Valdes, Paloma; Gomez-Velasco, Donaji; Viveros-Ruiz, Tannia; Cruz-Bautista, Ivette; Romo-Romo, Alonso; Sánchez-Lázaro, Daniel; Meza-Oviedo, Dushan; Vargas-Vázquez, Arsenio; Campos, Olimpia Arellano; Sevilla-González, Magdalena Del Rocío; Martagón, Alexandro J; Hernández, Liliana Muñoz; Mehta, Roopa; Caballeros-Barragán, César Rodolfo; Aguilar-Salinas, Carlos A

2018-05-01

We developed a novel non-insulin-based fasting score to evaluate insulin sensitivity validated against the euglycemic-hyperinsulinemic clamp (EHC). We also evaluated its correlation with ectopic fact accumulation and its capacity to predict incident type 2 diabetes mellitus (T2D). The discovery sample was composed by 125 subjects (57 without and 68 with T2D) that underwent an EHC. We defined METS-IR as Ln((2*G 0 )+TG 0 )*BMI)/(Ln(HDL-c)) (G 0 : fasting glucose, TG 0 : fasting triglycerides, BMI: body mass index, HDL-c: high-density lipoprotein cholesterol), and compared its diagnostic performance against the M-value adjusted by fat-free mass (MFFM) obtained by an EHC. METS-IR was validated in a sample with EHC data, a sample with modified frequently sampled intravenous glucose tolerance test (FSIVGTT) data and a large cohort against HOMA-IR. We evaluated the correlation of the score with intrahepatic and intrapancreatic fat measured using magnetic resonance spectroscopy. Subsequently, we evaluated its ability to predict incident T2D cases in a prospective validation cohort of 6144 subjects. METS-IR demonstrated the better correlation with the MFFM ( ρ  = -0.622, P  index obtained from the FSIVGTT (AUC: 0.67, 95% CI: 0.53-0.81). METS-IR significantly correlated with intravisceral, intrahepatic and intrapancreatic fat and fasting insulin levels ( P  50.39) had the highest adjusted risk to develop T2D (HR: 3.91, 95% CI: 2.25-6.81). Furthermore, subjects with incident T2D had higher baseline METS-IR compared to healthy controls (50.2 ± 10.2 vs 44.7 ± 9.2, P  < 0.001). METS-IR is a novel score to evaluate cardiometabolic risk in healthy and at-risk subjects and a promising tool for screening of insulin sensitivity. © 2018 European Society of Endocrinology.

Controlling THz and far-IR waves with chiral and bianisotropic metamaterials

Directory of Open Access Journals (Sweden)

Kenanakis George

2015-01-01

Full Text Available Chiral and bianisotropic metamaterials, where coupling of magnetic and electric phenomena plays an important role, offer advanced possibilities for the control and manipulation of electromagnetic waves. Such a control is particularly useful in the THz and far-IR region where natural materials do not show strong response and thus they are not offered as components for a direct realization of electromagnetic wave manipulation. Among the most useful and important capabilities of chiral and bianisotropic metamaterials is the advanced control of the wave polarization that they offer, including giant polarization rotation, conversion, filtering, absorption, etc. In this paper we review our recent work demonstrating some of those capabilities, in a variety of structures, both planar and 3D-bulk ones. The structures presented show, among others, large optical activity, tunable/switchable wave ellipticity, and polarization-dependent asymmetric transmission.

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

Data.gov (United States)

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

Preliminary study of corrosion mechanisms of actinides alloys: calibration of FT-IR spectroscopy

International Nuclear Information System (INIS)

Magnien, Veronique; Cadignan, Marx; Faivret, Olivier; Rosa, Gaelle

2008-01-01

In situ analyzes of gaseous atmospheres could be performed by FT-IR spectroscopy in order to study the corrosion reactions of actinides. Nevertheless experimental conditions and the nature of studied species have a strong effect on IR absorption laws. Thus a prior calibration of our set-up is required to obtain an accurate estimation of gas concentration. For this purpose, the behavior of several air pure gases has been investigated according to their concentration from IR spectra. Reproducible results revealed subsequent increases of the most significant peak areas with gas pressure and small deviations from Beer Lambert's law. This preliminary work allowed to determine precise absorption laws for each studied pure gas in our in situ experimental conditions. Besides our FT-IR set-up was well suitable to quantitative analysis of gaseous atmosphere during corrosion reactions. Finally the effect of foreign gas will be investigated through more complex air mixtures to obtain a complete calibration network. (authors)

Application of Fourier-transform infrared (FT-IR) spectroscopy for simple and easy determination of chylomicron-triglyceride and very low density lipoprotein-triglyceride.

Science.gov (United States)

Sato, Kenichi; Seimiya, Masanori; Kodera, Yoshio; Kitamura, Akihide; Nomura, Fumio

2010-02-01

Fourier-transform infrared (FT-IR) spectroscopy is a simple and reagent-free physicochemical analysis method, and is a potential alternative to more time-consuming and labor-intensive procedures. In this study, we aimed to use FT-IR spectroscopy to determine serum concentrations of chylomicron-triglyceride (TG) and very low density lipoprotein (VLDL)-TG. We analyzed a chylomicron fraction and VLDL fraction, which had been obtained by ultracentrifugation, to search for wavelengths to designate to each fraction. Then, partial least square (PLS) calibrations were developed using a training set of samples, for which TG concentrations had been determined by conventional procedures. Validation was conducted with another set of samples using the PLS model to predict serum TG concentrations on the basis of the samples' IR spectra. We analyzed a total of 150 samples. Serum concentrations of chylomicron-TG and VLDL-TG estimated by FT-IR spectroscopy agreed well with those obtained by the reference method (r=0.97 for both lipoprotein fractions). FT-IR spectrometric analysis required 15mul of serum and was completed within 1min. Serum chylomicron-TG and VLDL-TG concentrations can be determined with FT-IR spectroscopy. This rapid and simple test may have a great impact on the management of patients with dyslipidemia. Copyright 2009. Published by Elsevier B.V.

Adding a dimension to the infrared spectra of interfaces: 2D SFG spectroscopy via mid-IR pulse shaping

Science.gov (United States)

Zanni, Martin

2012-02-01

Sum-frequency generation spectroscopy provides an infrared spectrum of interfaces and thus has widespread use in the materials and chemical sciences. In this presentation, I will present our recent work in developing a 2D pulse sequence to generate 2D SFG spectra of interfaces, in analogy to 2D infrared spectra used to measure bulk species. To develop this spectroscopy, we have utilized many of the tricks-of-the-trade developed in the 2D IR and 2D Vis communities in the last decade, including mid-IR pulse shaping. With mid-IR pulse shaping, the 2D pulse sequence is manipulated by computer programming in the desired frequency resolution, rotating frame, and signal pathway. We believe that 2D SFG will become an important tool in the interfacial sciences in an analogous way that 2D IR is now being used in many disciplines.

Multi-pollutants sensors based on near-IR telecom lasers and mid-IR difference frequency generation: development and applications

International Nuclear Information System (INIS)

Cousin, J.

2006-12-01

At present the detection of VOC and other anthropic trace pollutants is an important challenge in the measurement of air quality. Infrared spectroscopy, allowing spectral regions rich in molecular absorption to be probed, is a suitable technique for in-situ monitoring of the air pollution. Thus the aim of this work was to develop instruments capable of detecting multiple pollutants for in-situ monitoring by IR spectroscopy. A first project benefited from the availability of the telecommunications lasers emitting in near-IR. This instrument was based on an external cavity diode laser (1500 - 1640 nm) in conjunction with a multipass cell (100 m). The detection sensitivity was optimised by employing a balanced detection and a sweep integration procedure. The instrument developed is deployable for in-situ measurements with a sensitivity of -8 cm -1 Hz -1/2 and allowed the quantification of chemical species such as CO 2 , CO, C 2 H 2 , CH 4 and the determination of the isotopic ratio 13 CO 2 / 12 CO 2 in combustion environment The second project consisted in mixing two near-IR fiber lasers in a non-linear crystal (PPLN) in order to produce a laser radiation by difference frequency generation in the middle-IR (3.15 - 3.43 μm), where the absorption bands of the molecules are the most intense. The first studies with this source were carried out on detection of ethylene (C 2 H 4 ) and benzene (C 6 H 6 ). Developments, characterizations and applications of these instruments in the near and middle IR are detailed and the advantages of the 2 spectral ranges is highlighted. (author)

Natural and artificial radioactivity distribution In soil of Fars province (IR)

International Nuclear Information System (INIS)

Faghihi, R.; Mehdizadeh, S.; Sina, S.

2011-01-01

Fars province is a large populated large province located in the southwest of Iran. This work presents a study of natural and radioactivity levels in soil samples of this province. For this purpose, 126 samples were gathered from different regions of the province and analysed by gamma spectroscopy to quantify radioactivity concentrations of radionuclides using a high-purity germanium detector and spectroscopy system. The results of this investigation show the average concentrations of 271 ± 28 Bq kg -1 , 6.37 ± 0.5 Bq kg -1 , 14.9 ± 0.9 Bq kg -1 and 26.3 ± 1.9 Bq kg -1 for 40 K, 137 Cs, 232 Th and 238 U in soil, respectively. Finally, baseline maps were established for the concentrations of each of the radionuclides in different regions. The absorbed dose rate and the annual effective dose (AED) were also calculated for the radionuclides according to the guidelines of UNSCEAR 2000. The average AED from the radioactivity content of soil in this province was found to be 39.9 ± 1.8 μSv. (authors)

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

Czech Academy of Sciences Publication Activity Database

Petzelt, Jan; Kamba, Stanislav

2016-01-01

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

Monitoring lipase-catalyzed interesterification for bulky fats modification with FT-IR/NIR spectroscopy

DEFF Research Database (Denmark)

Chang, Tinghong; Lai, Xuxin; Zhang, Hong

2005-01-01

This work demonstrates the application of FT-IR and FT-NIR spectroscopy to monitor the enzymatic interesterification process for bulky fat modification. The reaction was conducted between palm stearin and coconut oil (70/30, w/w) with the catalysis of Lipozyme TL IM at 70°C in a batch reactor...

Terahertz spectroscopy

DEFF Research Database (Denmark)

Jepsen, Peter Uhd

2009-01-01

In this presentation I will review methods for spectroscopy in the THz range, with special emphasis on the practical implementation of the technique known ad THz time-domain spectroscopy (THz-TDS). THz-TDS has revived the old field of far-infrared spectroscopy, and enabled a wealth of new...... activities that promise commercial potential for spectroscopic applications in the THz range. This will be illustrated with examples of spectroscopy of liquids inside their bottles as well as sensitive, quantitative spectroscopy in waveguides....

THE FAR-INFRARED SPECTROSCOPY OF VERY LARGE NEUTRAL POLYCYCLIC AROMATIC HYDROCARBONS

International Nuclear Information System (INIS)

Ricca, Alessandra; Bauschlicher, Charles W.; Mattioda, Andrew L.; Boersma, Christiaan; Allamandola, Louis J.

2010-01-01

Here we report the computed far-infrared (FIR) spectra of neutral polycyclic aromatic hydrocarbon (PAH) molecules containing at least 82 carbons up to 130 carbons and with shapes going from compact round and oval-type structures to rectangular and to trapezoidal. The effects of size and shape on the FIR band positions and intensities are discussed. Using FIR data from the NASA Ames PAH IR Spectroscopic Database Version 1.1, we generate synthetic spectra that support the suggestion that the 16.4, 17.4, and 17.8 μm bands arise from PAHs.

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

Science.gov (United States)

Gorzsás, András; Sundberg, Björn

2014-01-01

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

High resolution spectroscopy of six SOCl2 isotopologues from the microwave to the far-infrared

Science.gov (United States)

Martin-Drumel, M. A.; Roucou, A.; Brown, G. G.; Thorwirth, S.; Pirali, O.; Mouret, G.; Hindle, F.; McCarthy, M. C.; Cuisset, A.

2016-02-01

Despite its potential role as an atmospheric pollutant, thionyl chloride, SOCl2, remains poorly characterized in the gas phase. In this study, the pure rotational and ro-vibrational spectra of six isotopologues of this molecule, all detected in natural abundance, have been extensively studied from the cm-wave band to the far-infrared region by means of three complementary techniques: chirped-pulse Fourier transform microwave spectroscopy, sub-millimeter-wave spectroscopy using frequency multiplier chain, and synchrotron-based far-infrared spectroscopy. Owing to the complex line pattern which results from two nuclei with non-zero spins, new, high-level quantum-chemical calculations of the hyperfine structure played a crucial role in the spectroscopic analysis. From the combined experimental and theoretical work, an accurate semi-experimental equilibrium structure (reSE) of SOCl2 has been derived. With the present data, spectroscopy-based methods can now be applied with confidence to detect and monitor this species, either by remote sensing or in situ.

Characterization by Fourier transform infrared spectroscopy (FT-IR) and 2D IR correlation spectroscopy of a carbosilane dendrimer with peripheral ammonium groups

Energy Technology Data Exchange (ETDEWEB)

Popescu, Maria-Cristina, E-mail: cpopescu@icmpp.ro [' Petru Poni' Institute of Macromolecular Chemistry (Romania); Gomez, Rafael; Mata, Fco Javier de la; Rasines, Beatriz [Universidad de Alcala, Departamento de Quimica Inorganica (Spain); Simionescu, Bogdan C. [' Petru Poni' Institute of Macromolecular Chemistry (Romania)

2013-06-15

Fourier transform infrared spectroscopy and 2D correlation spectroscopy were used to study the microstructural changes occurring on heating of a new carbosilane dendrimer with peripheral ammonium groups. Temperature-dependent spectral variations in the 3,010-2,710, 1,530-1,170, and 1,170-625 cm{sup -1} regions were monitored during the heating process. The dependence, on temperature, of integral absorptions and position of spectral bands was established and the spectral modifications associated with molecular conformation rearrangements, allowing molecular shape changes, were found. Before 180 Degree-Sign C, the studied carbosilane dendrimer proved to be stable, while at higher temperatures it oxidizes and Si-O groups appear. 2D IR correlation spectroscopy gives new information about the effect of temperature on the structure and dynamics of the system. Synchronous and asynchronous spectra indicate that, at low temperature, conformational changes of CH{sub 3} and CH{sub 3}-N{sup +} groups take place first. With increasing temperature, the intensity variation of the CH{sub 2}, C-N, Si-C and C-C groups from the dendritic core is faster than that of the terminal units. This indicates that, with increasing temperature, the segments of the dendritic core obtain enough energy to change their conformation more easily as compared to the terminal units, due to their internal flexibility.

Characterization by Fourier transform infrared spectroscopy (FT-IR) and 2D IR correlation spectroscopy of a carbosilane dendrimer with peripheral ammonium groups

International Nuclear Information System (INIS)

Popescu, Maria-Cristina; Gómez, Rafael; Mata, Fco Javier de la; Rasines, Beatriz; Simionescu, Bogdan C.

2013-01-01

Fourier transform infrared spectroscopy and 2D correlation spectroscopy were used to study the microstructural changes occurring on heating of a new carbosilane dendrimer with peripheral ammonium groups. Temperature-dependent spectral variations in the 3,010–2,710, 1,530–1,170, and 1,170–625 cm −1 regions were monitored during the heating process. The dependence, on temperature, of integral absorptions and position of spectral bands was established and the spectral modifications associated with molecular conformation rearrangements, allowing molecular shape changes, were found. Before 180 °C, the studied carbosilane dendrimer proved to be stable, while at higher temperatures it oxidizes and Si–O groups appear. 2D IR correlation spectroscopy gives new information about the effect of temperature on the structure and dynamics of the system. Synchronous and asynchronous spectra indicate that, at low temperature, conformational changes of CH 3 and CH 3 –N + groups take place first. With increasing temperature, the intensity variation of the CH 2 , C–N, Si–C and C–C groups from the dendritic core is faster than that of the terminal units. This indicates that, with increasing temperature, the segments of the dendritic core obtain enough energy to change their conformation more easily as compared to the terminal units, due to their internal flexibility.

Chapter 1.1 Crystallinity of Nanocellulose Materials by Near-IR FT-Raman Spectroscopy

Science.gov (United States)

Umesh P. Agarwal; Richard S. Reiner; Sally A. Ralph

2013-01-01

Considering that crystallinity is one of the important properties that influence the end use of cellulose nanomaterials, it is important that the former be measured accurately. Recently, a new method based on near-IR FTRaman spectroscopy was proposed to determine cellulose I crystallinity. It was reported that in the Raman spectrum of cellulose materials, the...

Widely-tunable and sensitive optical sensor for multi-species detection in the mid-IR

KAUST Repository

Alquaity, Awad

2017-10-05

Pulsed cavity ringdown spectroscopy (CRDS) technique was used to develop a novel widely-tunable laser-based sensor for sensitive measurements of ethylene, propene, 1-butene and allene in the mid-IR. The use of an external-cavity quantum cascade laser (EC-QCL) enabled the sensor to cover a wide wavelength range from 10 to 11.1 µm (900 – 1000 cm-1) to detect multiple gases relevant to combustion and environment. The sensor operation was validated in a room-temperature static cell using well-characterized absorption lines of carbon dioxide near 938.69 cm-1 and 974.62 cm-1. Detection limits for ethylene, propene, 1-butene, and allene were measured to be 17, 134, 754 and 378 ppb, respectively, at 296 K and 760 Torr for a single-pass path-length of 70 cm. The excellent sensitivity of the optical sensor enabled it to measure the aforementioned gases at levels smaller than 1% of their recommended exposure limits. To the best of our knowledge, this is one of the first successful applications of the pulsed CRDS technique to measure trace levels of multiple gases in the 10 – 11 µm wavelength region.

Widely-tunable and sensitive optical sensor for multi-species detection in the mid-IR

KAUST Repository

Alquaity, Awad; Alsaif, Bidoor; Farooq, Aamir

2017-01-01

Pulsed cavity ringdown spectroscopy (CRDS) technique was used to develop a novel widely-tunable laser-based sensor for sensitive measurements of ethylene, propene, 1-butene and allene in the mid-IR. The use of an external-cavity quantum cascade laser (EC-QCL) enabled the sensor to cover a wide wavelength range from 10 to 11.1 µm (900 – 1000 cm-1) to detect multiple gases relevant to combustion and environment. The sensor operation was validated in a room-temperature static cell using well-characterized absorption lines of carbon dioxide near 938.69 cm-1 and 974.62 cm-1. Detection limits for ethylene, propene, 1-butene, and allene were measured to be 17, 134, 754 and 378 ppb, respectively, at 296 K and 760 Torr for a single-pass path-length of 70 cm. The excellent sensitivity of the optical sensor enabled it to measure the aforementioned gases at levels smaller than 1% of their recommended exposure limits. To the best of our knowledge, this is one of the first successful applications of the pulsed CRDS technique to measure trace levels of multiple gases in the 10 – 11 µm wavelength region.

APPL1 potentiates insulin sensitivity by facilitating the binding of IRS1/2 to the insulin receptor.

Science.gov (United States)

Ryu, Jiyoon; Galan, Amanda K; Xin, Xiaoban; Dong, Feng; Abdul-Ghani, Muhammad A; Zhou, Lijun; Wang, Changhua; Li, Cuiling; Holmes, Bekke M; Sloane, Lauren B; Austad, Steven N; Guo, Shaodong; Musi, Nicolas; DeFronzo, Ralph A; Deng, Chuxia; White, Morris F; Liu, Feng; Dong, Lily Q

2014-05-22

Binding of insulin receptor substrate proteins 1 and 2 (IRS1/2) to the insulin receptor (IR) is essential for the regulation of insulin sensitivity and energy homeostasis. However, the mechanism of IRS1/2 recruitment to the IR remains elusive. Here, we identify adaptor protein APPL1 as a critical molecule that promotes IRS1/2-IR interaction. APPL1 forms a complex with IRS1/2 under basal conditions, and this complex is then recruited to the IR in response to insulin or adiponectin stimulation. The interaction between APPL1 and IR depends on insulin- or adiponectin-stimulated APPL1 phosphorylation, which is greatly reduced in insulin target tissues in obese mice. appl1 deletion in mice consistently leads to systemic insulin resistance and a significant reduction in insulin-stimulated IRS1/2, but not IR, tyrosine phosphorylation, indicating that APPL1 sensitizes insulin signaling by acting at a site downstream of the IR. Our study uncovers a mechanism regulating insulin signaling and crosstalk between the insulin and adiponectin pathways. Copyright © 2014 The Authors. Published by Elsevier Inc. All rights reserved.

IR Spectroscopy of Ethylene Glycol Solutions of Dimethylsulfoxide

Science.gov (United States)

Kononova, E. G.; Rodnikova, M. N.; Solonina, I. A.; Sirotkin, D. A.

2018-07-01

Features of ethylene glycol (EG) solutions of dimethylsulfoxide (DMSO) with low and moderate concentrations (from 2 to 50 mol % of DMSO) are studied by IR spectroscopy on a Bruker Tensor 37 FT-IR spectrometer in the wavenumber range of 400 to 4000 cm-1. The main monitored bands are the S=O stretching vibration band of DMSO (1057 cm-1) and the C-O (1086 and 1041 cm-1) and O-H (3350 cm-1) stretching vibration bands of EG. The obtained data show complex DMSO · 2EG to be present in all solutions with the studied concentrations due to formation of H-bonds between the S=O group of DMSO and the OH group of EG. In the concentration range of 6 to 25 mol % DMSO, the OH stretching vibration of EG is found to be broadened (by up to 70 cm-1), suggesting the strengthening of hydrogen bonds in the spatial network of the system due to the solvophobic effect of DMSO molecules and the formation of DMSO · 2EG. Starting from 25 mol % DMSO, narrowing of the OH stretching vibration is noted, and the bands of free DMSO appear along with the DMSO · 2EG complex, suggesting microseparation in the investigated system. At 50 mol % DMSO, the amounts of free and bound species in the system became comparable.

Using Fourier transform IR spectroscopy to analyze biological materials

Science.gov (United States)

Baker, Matthew J; Trevisan, Júlio; Bassan, Paul; Bhargava, Rohit; Butler, Holly J; Dorling, Konrad M; Fielden, Peter R; Fogarty, Simon W; Fullwood, Nigel J; Heys, Kelly A; Hughes, Caryn; Lasch, Peter; Martin-Hirsch, Pierre L; Obinaju, Blessing; Sockalingum, Ganesh D; Sulé-Suso, Josep; Strong, Rebecca J; Walsh, Michael J; Wood, Bayden R; Gardner, Peter; Martin, Francis L

2015-01-01

IR spectroscopy is an excellent method for biological analyses. It enables the nonperturbative, label-free extraction of biochemical information and images toward diagnosis and the assessment of cell functionality. Although not strictly microscopy in the conventional sense, it allows the construction of images of tissue or cell architecture by the passing of spectral data through a variety of computational algorithms. Because such images are constructed from fingerprint spectra, the notion is that they can be an objective reflection of the underlying health status of the analyzed sample. One of the major difficulties in the field has been determining a consensus on spectral pre-processing and data analysis. This manuscript brings together as coauthors some of the leaders in this field to allow the standardization of methods and procedures for adapting a multistage approach to a methodology that can be applied to a variety of cell biological questions or used within a clinical setting for disease screening or diagnosis. We describe a protocol for collecting IR spectra and images from biological samples (e.g., fixed cytology and tissue sections, live cells or biofluids) that assesses the instrumental options available, appropriate sample preparation, different sampling modes as well as important advances in spectral data acquisition. After acquisition, data processing consists of a sequence of steps including quality control, spectral pre-processing, feature extraction and classification of the supervised or unsupervised type. A typical experiment can be completed and analyzed within hours. Example results are presented on the use of IR spectra combined with multivariate data processing. PMID:24992094

Study of the Pyrrol/Diphenylamine Copolymer by FT-IR spectroscopy and conductivity

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Carlos Alberto Perez

2004-01-01

Full Text Available The main goal of this study was to analyze the physical properties of the copolymer formed by the electrochemical deposition of the polydiphenylamine (PDPA on polypyrrole (Ppy and Ppy on PDPA, in different conditions, through the characterization of the materials formed by the resonant Raman, FT-IR and conductivity techniques. The interactions among the species which are present in the new copolymer structure and the changes in electronic conductivity, were verified. The copolymer was also synthesized electrochemically in the presence of iodide species and the material was characterized by FT-IR spectroscopy and conductivity. The role of the dopant was studied in the process of charge transfer between the copolymer-dopant, acting in the stabilization of the species in the polymer backbone and the increase of the electronic conductivity.

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

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Basalekou Marianthi

2015-01-01

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

The TApIR experiment. IR absorption spectra of liquid hydrogen isotopologues

International Nuclear Information System (INIS)

Groessle, Robin

2015-01-01

The scope of the thesis is the infrared absorption spectroscopy of liquid hydrogen isotopologues with the tritium absorption infrared spectroscopy (TApIR) experiment at the tritium laboratory Karlsruhe (TLK). The calibration process from the sample preparation to the reference measurements are described. A further issue is the classical evaluation of FTIR absorption spectra and the extension using the rolling circle filter (RCF) including the effects on statistical and systematical errors. The impact of thermal and nuclear spin temperature on the IR absorption spectra is discussed. An empirical based modeling for the IR absorption spectra of liquid hydrogen isotopologues is performed.

An IR and XPS spectroscopy assessment of the physico-chemical surface properties of alumina–YAG nanopowders

Energy Technology Data Exchange (ETDEWEB)

Spina, Giulia; Bonelli, Barbara, E-mail: barbara.bonelli@polito.it; Palmero, Paola, E-mail: paola.palmero@polito.it; Montanaro, Laura

2013-12-16

Well-dispersed nano-crystalline transition alumina suspensions were mixed with yttrium chloride aqueous solutions, with the aim of producing by spray-drying Al{sub 2}O{sub 3}–Y{sub 3}Al{sub 5}O{sub 12} (YAG) composite powders of increasing YAG vol.%. Two samples were prepared, with different Y content, corresponding to 5 and 20 YAG vol.%, respectively. Both samples were then treated at either 600 or 1150 °C. The obtained powders were characterized by X-Ray Diffraction (XRD), X-ray Photoelectron Spectroscopy (XPS), Fourier Transform Infra Red (FT-IR) spectroscopy and compared to three reference samples: commercial nano-crystalline transition alumina, YAG and Y{sub 2}O{sub 3}. YAG powders were obtained by co-precipitation route whereas Y{sub 2}O{sub 3} powders were yielded by spray-drying of a yttrium chloride aqueous solution. Modification of physico-chemical properties of the surface of alumina nanoparticles were assessed by combining XPS and FT-IR spectroscopies. On the basis of the results obtained, a possible model is proposed for the structure of the obtained composites, in which Y basically reacts with more acidic hydroxyls of alumina, by forming Y-rich surface grains, the extension of which depends on the thermal treatment. - Highlights: • Al{sub 2}O{sub 3}–Y{sub 3}Al{sub 5}O{sub 12} (YAG) composite nanopowders were prepared by spray drying. • Combined XPS and IR spectroscopy: effective tools to study surface modifications. • Y reacts with more acidic hydroxyls at alumina surface. • Y-rich surface grains form: their extension depends on the thermal treatment.

Gaz Phase IR and UV Spectroscopy of Neutral Contact Ion Pairs

Science.gov (United States)

Habka, Sana; Brenner, Valerie; Mons, Michel; Gloaguen, Eric

2016-06-01

Cations and anions, in solution, tend to pair up forming ion pairs. They play a crucial role in many fundamental processes in ion-concentrated solutions and living organisms. Despite their importance and vast applications in physics, chemistry and biochemistry, they remain difficult to characterize namely because of the coexistence of several types of pairing in solution. However, an interesting alternative consists in applying highly selective gas phase spectroscopy which can offer new insights on these neutral ion pairs. Our study consists in characterizing contact ion pairs (CIPs) in isolated model systems (M+, Ph-(CH2)n-COO- with M=Li, Na, K, Rb, Cs, and n=1-3), to determine their spectral signatures and compare them to ion pairs in solution. We have used laser desorption to vaporize a solid tablet containing the desired salt. Structural information for each system was obtained by mass-selective, UV and IR laser spectroscopy combined with high level quantum chemistry calculations1. Evidence of the presence of neutral CIPs was found by scanning the π-π* transition of the phenyl ring using resonant two-photon ionization (R2PI). Then, conformational selective IR/UV double resonance spectra were recorded in the CO2- stretch region for each conformation detected. The good agreement between theoretical data obtained at the BSSE-corrected-fullCCSD(T)/dhf-TZVPP//B97-D3/dhf-TZVPP level and experimental IR spectra led us to assign the 3D structure for each ion pair formed. Spectral signatures of (M+, Ph-CH2-COO-) pairs, were assigned to a bidentate CIPs between the alkali cation and the carboxylate group. In the case of (Li+, Ph-(CH2)3-COO-) pairs, the presence of a flexible side chain promotes a cation-π interaction leading to a tridentate O-O-π structure with its unique IR and UV signatures. IR spectra obtained on isolated CIPs were found very much alike the ones published on lithium and sodium acetate in solution2. However, in the case of sodium acetate, solution

Impact of Humidity on Quartz-Enhanced Photoacoustic Spectroscopy Based CO Detection Using a Near-IR Telecommunication Diode Laser

Directory of Open Access Journals (Sweden)

Xukun Yin

2016-01-01

Full Text Available A near-IR CO trace gas sensor based on quartz-enhanced photoacoustic spectroscopy (QEPAS is evaluated using humidified nitrogen samples. Relaxation processes in the CO-N2-H2O system are investigated. A simple kinetic model is used to predict the sensor performance at different gas pressures. The results show that CO has a ~3 and ~5 times slower relaxation time constant than CH4 and HCN, respectively, under dry conditions. However, with the presence of water, its relaxation time constant can be improved by three orders of magnitude. The experimentally determined normalized detection sensitivity for CO in humid gas is 1.556 × 10 − 8   W ⋅ cm − 1 / Hz 1 / 2 .

Early insulin sensitivity after restrictive bariatric surgery, inconsistency between HOMA-IR and steady-state plasma glucose levels.

Science.gov (United States)

van Dielen, Francois M H; Nijhuis, Jeroen; Rensen, Sander S M; Schaper, Nicolaas C; Wiebolt, Janneke; Koks, Afra; Prakken, Fred J; Buurman, Wim A; Greve, Jan Willem M

2010-01-01

The low-grade inflammatory condition present in morbid obesity is thought to play a causative role in the pathophysiology of insulin resistance (IR). Bariatric surgery fails to improve this inflammatory condition during the first months after surgery. Considering the close relation between inflammation and IR, we conducted a study in which insulin sensitivity was measured during the first months after bariatric surgery. Different methods to measure IR shortly after bariatric surgery have given inconsistent data. For example, the Homeostatic Model Assessment of Insulin Resistance (HOMA-IR) levels have been reported to decrease rapidly after bariatric surgery, although clamp techniques have shown sustained insulin resistance. In the present study, we evaluated the use of steady-state plasma glucose (SSPG) levels to assess insulin sensitivity 2 months after bariatric surgery. Insulin sensitivity was measured using HOMA-IR and SSPG levels in 11 subjects before surgery and at 26% excess weight loss (approximately 2 months after restrictive bariatric surgery). The SSPG levels after 26% excess weight loss did not differ from the SSPG levels before surgery (14.3 +/- 5.4 versus 14.4 +/- 2.7 mmol/L). In contrast, the HOMA-IR values had decreased significantly (3.59 +/- 1.99 versus 2.09 +/- 1.02). During the first months after restrictive bariatric surgery, we observed a discrepancy between the HOMA-IR and SSPG levels. In contrast to the HOMA-IR values, the SSPG levels had not improved, which could be explained by the ongoing inflammatory state after bariatric surgery. These results suggest that during the first months after restrictive bariatric surgery, HOMA-IR might not be an adequate marker of insulin sensitivity. Copyright 2010 American Society for Metabolic and Bariatric Surgery. Published by Elsevier Inc. All rights reserved.

Rapid identification of Chinese Sauce liquor from different fermentation positions with FT-IR spectroscopy

Science.gov (United States)

Li, Changwen; Wei, Jiping; Zhou, Qun; Sun, Suqin

2008-07-01

FT-IR and two-dimensional correlation spectroscopy (2D-IR) technology were applied to discriminate Chinese Sauce liquor from different fermentation positions (top, middle and bottom of fermentation cellar) for the first time. The liquors at top, middle and bottom of fermentation cellar, possessed the characteristic peaks at 1731 cm -1, 1733 cm -1 and 1602 cm -1, respectively. In the 2D correlation infrared spectra, the differences were amplified. A strong auto-peak at 1725 cm -1 showed in the 2D spectra of the Top Liquor, which indicated that the liquor might contain some ester compounds. Different from Top Liquor, three auto-peaks at 1695, 1590 and 1480 cm -1 were identified in 2D spectra of Middle Liquor, which were the characteristic absorption of acid, lactate. In 2D spectra of Bottom Liquor, two auto-peaks at 1570 and 1485 cm -1 indicated that lactate was the major component. As a result, FT-IR and 2D-IR correlation spectra technology provided a rapid and effective method for the quality analysis of the Sauce liquor.

Attenuated total reflectance-FT-IR spectroscopy for gunshot residue analysis: potential for ammunition determination.

Science.gov (United States)

Bueno, Justin; Sikirzhytski, Vitali; Lednev, Igor K

2013-08-06

The ability to link a suspect to a particular shooting incident is a principal task for many forensic investigators. Here, we attempt to achieve this goal by analysis of gunshot residue (GSR) through the use of attenuated total reflectance (ATR) Fourier transform infrared spectroscopy (FT-IR) combined with statistical analysis. The firearm discharge process is analogous to a complex chemical process. Therefore, the products of this process (GSR) will vary based upon numerous factors, including the specific combination of the firearm and ammunition which was discharged. Differentiation of FT-IR data, collected from GSR particles originating from three different firearm-ammunition combinations (0.38 in., 0.40 in., and 9 mm calibers), was achieved using projection to latent structures discriminant analysis (PLS-DA). The technique was cross (leave-one-out), both internally and externally, validated. External validation was achieved via assignment (caliber identification) of unknown FT-IR spectra from unknown GSR particles. The results demonstrate great potential for ATR-FT-IR spectroscopic analysis of GSR for forensic purposes.

The study of the curing of the polyurethane coating by method of IR spectroscopy

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N. A. Korshunova

2016-12-01

Full Text Available The results of the study of the curing process of polyurethane compositions with participation of two different catalysts by the method of IR spectroscopy are given. The time dependences of curing of polyurethane coatings from concentrations of catalysts were determined, on the basis of which the most effective catalyst was selected.

Tunable Microcavity-Stabilized Quantum Cascade Laser for Mid-IR High-Resolution Spectroscopy and Sensing.

Science.gov (United States)

Borri, Simone; Siciliani de Cumis, Mario; Insero, Giacomo; Bartalini, Saverio; Cancio Pastor, Pablo; Mazzotti, Davide; Galli, Iacopo; Giusfredi, Giovanni; Santambrogio, Gabriele; Savchenkov, Anatoliy; Eliyahu, Danny; Ilchenko, Vladimir; Akikusa, Naota; Matsko, Andrey; Maleki, Lute; De Natale, Paolo

2016-02-17

The need for highly performing and stable methods for mid-IR molecular sensing and metrology pushes towards the development of more and more compact and robust systems. Among the innovative solutions aimed at answering the need for stable mid-IR references are crystalline microresonators, which have recently shown excellent capabilities for frequency stabilization and linewidth narrowing of quantum cascade lasers with compact setups. In this work, we report on the first system for mid-IR high-resolution spectroscopy based on a quantum cascade laser locked to a CaF₂ microresonator. Electronic locking narrows the laser linewidth by one order of magnitude and guarantees good stability over long timescales, allowing, at the same time, an easy way for finely tuning the laser frequency over the molecular absorption line. Improvements in terms of resolution and frequency stability of the source are demonstrated by direct sub-Doppler recording of a molecular line.

Structure Determination of Unknown Organic Liquids Using NMR and IR Spectroscopy: A General Chemistry Laboratory

Science.gov (United States)

Pavel, John T.; Hyde, Erin C.; Bruch, Martha D.

2012-01-01

This experiment introduced general chemistry students to the basic concepts of organic structures and to the power of spectroscopic methods for structure determination. Students employed a combination of IR and NMR spectroscopy to perform de novo structure determination of unknown alcohols, without being provided with a list of possible…

Efficient red organic light-emitting diode sensitized by a phosphorescent Ir compound

Energy Technology Data Exchange (ETDEWEB)

Wang, X.R. [School of Material Science and Engineering, Shanghai University, Jiading, Shanghai 201800 (China); You, H. [State Key Laboratory of Polymer Physics and Chemistry, Changchun Institute of Applied Chemistry, Chinese Academy of Sciences, Graduate School of the Chinese Academy of Sciences, Changchun, Jilin 130022 (China); Tang, H. [School of Material Science and Engineering, Shanghai University, Jiading, Shanghai 201800 (China); Ding, G.H. [Institute of Advanced Materials and Fine Chemicals, East China University of Science and Technology, Shanghai 200237 (China); Ma, D.G. [State Key Laboratory of Polymer Physics and Chemistry, Changchun Institute of Applied Chemistry, Chinese Academy of Sciences, Graduate School of the Chinese Academy of Sciences, Changchun, Jilin 130022 (China); Tian, H. [Institute of Advanced Materials and Fine Chemicals, East China University of Science and Technology, Shanghai 200237 (China); Sun, R.G. [School of Material Science and Engineering, Shanghai University, Jiading, Shanghai 201800 (China)], E-mail: runguangsun@126.com

2008-01-15

The efficiencies of red organic light-emitting diode (OLED) using tris-(8-hydroxy-quinoline)aluminum (Alq{sub 3}) as host and 4-(dicyanomethylene)-2-t-butyl-6-(1,1,7,7-tetramethyljulolidyl-9-enyl) -4H-pyra n (DCJTB) as dopant were greatly increased by adding a small amount (0.3 wt%) of Ir compound, iridium(III) bis(3-(2-benzothiazolyl)-7-(diethylamino)-2H-1-benzopyran-2-onato-N',C{sup 4}) (acetyl acetonate) (Ir(C6){sub 2}(acac)), as a sensitizer. The device has a sandwiched structure of indium tin oxide (ITO)/4,4',4''-tris(N-(2-naphthyl)-N-phenyl-amino)triphenylamine (T-NATA) (40 nm)/N,N'-bis(1-naphthyl)-N,N'-diphenyl-1,1'-biphenyl-4,4' diamine (NPB) (40 nm)/Alq{sub 3}:DCJTB (0.7 wt%):Ir(C6){sub 2}(acac) (0.3 wt%) (40 nm)/Alq{sub 3} (40 nm)/LiF (1 nm)/Al (120 nm). It can be seen that the current efficiencies of this device remained almost (13.8{+-}1) cd/A from 0.1 to 20,000 cd/m{sup 2} and the Commission International d'Eclairage (CIE) coordinates at (0.60, 0.37) in the range of wide brightness. The significant improvement was attributed to the sensitization effect of the doped Ir(C6){sub 2}(acac), thus the energy of singlet and triplet excitons is simultaneously transferred to the DCJTB.

Tunable Microcavity-Stabilized Quantum Cascade Laser for Mid-IR High-Resolution Spectroscopy and Sensing

Directory of Open Access Journals (Sweden)

Simone Borri

2016-02-01

Full Text Available The need for highly performing and stable methods for mid-IR molecular sensing and metrology pushes towards the development of more and more compact and robust systems. Among the innovative solutions aimed at answering the need for stable mid-IR references are crystalline microresonators, which have recently shown excellent capabilities for frequency stabilization and linewidth narrowing of quantum cascade lasers with compact setups. In this work, we report on the first system for mid-IR high-resolution spectroscopy based on a quantum cascade laser locked to a CaF2 microresonator. Electronic locking narrows the laser linewidth by one order of magnitude and guarantees good stability over long timescales, allowing, at the same time, an easy way for finely tuning the laser frequency over the molecular absorption line. Improvements in terms of resolution and frequency stability of the source are demonstrated by direct sub-Doppler recording of a molecular line.

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

Science.gov (United States)

Analysis of DNA samples of Salmonella serotypes (Salmonella Typhimurium, Salmonella Enteritidis, Salmonella Infantis, Salmonella Heidelberg and Salmonella Kentucky) were performed using Fourier transform infrared spectroscopy (FT-IR) spectrometer by placing directly in contact with a diamond attenua...

Ultra-Broadband Infrared Pulses from a Potassium-Titanyl Phosphate Optical Parametric Amplifier for VIS-IR-SFG Spectroscopy

Science.gov (United States)

Isaienko, Oleksandr; Borguet, Eric

A non-collinear KTP-OPA to provide ultra-broadband mid-infrared pulses was designed and characterized. With proper pulse-front and phase correction, the system has a potential for high-time resolution vibrational VIS-IR-SFG spectroscopy.

Sum frequency generation for surface vibrational spectroscopy

International Nuclear Information System (INIS)

Hunt, J.H.; Guyot-Sionnest, P.; Shen, Y.R.

1987-01-01

Surface vibrational spectroscopy is one of the best means for characterizing molecular adsorbates. For this reason, many techniques have been developed in the past. However, most of them suffer from poor sensitivity, low spectral and temporal resolution, and applications limited to vacuum solid interfaces. Recently, the second harmonic generation (SHG) technique was proved repeatedly to be a simple but versatile surface probe. It is highly sensitive and surface specific; it is also capable of achieving high temporal, spatial, and spectral resolution. Being an optical technique, it can be applied to any interface accessible by light. The only serious drawback is its lack of molecular selectivity. An obvious remedy is the extension of the technique to IR-visible sum frequency generation (SFG). Surface vibrational spectroscopy with submonolayer sensitivity is then possible using SFG with the help of a tunable IR laser. The authors report here an SFG measurement of the C-H stretch vibration of monolayers of molecules at air-solid and air-liquid interfaces

On the separation of enantiomers of 1,1,1,2-tetrafluoroiodoethane by IR multiphoton excitation

International Nuclear Information System (INIS)

Pochert, J.; Quack, M.; Seyfang, G.

2002-01-01

The first attempt to separate enantiomers of chiral molecules using IR-multiphoton excitation with circularly polarized light is reported. 1,1,1,2-Tetrafuoroiodoethane CF 3 CHFI has been chosen as its IR-spectroscopy and its IR-photochemistry is well characterized by our previous work. A theoretical model based on a master equation is presented to predict the enrichment factor. The experimental results show that the experimental sensitivity must be improved to reach the limit of the theoretical prediction. (author)

Study on high-silicon boron-containing zeolite by thermogravimetric and IR-spectroscopy techniques

International Nuclear Information System (INIS)

Chukin, G.D.; Nefedov, B.K.; Surin, S.A.; Polinina, E.V.; Khusid, B.L.; Sidel'kovskaya, V.G.

1985-01-01

The structure identity of initial Na-forms of boron-containing and aluminosilicate high-silicon zeolites is established by thermogravimetric and IR-spectroscopy methods. The presence of boron in Na-forms of high-silicon zeolites is shown to lead to reduction of structure thermal stability. It is noted that thermal stability of the H-form of both high-silicon boron-containing and boron-free zeolites is practically equal and considerably higher than that of Na-forms

Solid state spectroscopy by using of far-infrared synchrotron radiation

Energy Technology Data Exchange (ETDEWEB)

Nanba, Takao [Kobe Univ. (Japan). Faculty of Science

1996-07-01

If the spectroscopic system corresponding to the wavelength region required for experiment is installed, the light source with continuous wavelength is to be obtainable by synchrotron radiation. This report is that of the research on solid state spectroscopy using the ordinary incoherent synchrotron radiation which is obtained from the deflection electromagnet parts of electron storage ring. At present in the world, the facilities which can be utilized in far-infrared spectroscopy region are five, including the UVSOR of Molecular Science Research Institute in Japan. The optical arrangement of the measuring system of the UVSOR is shown. The spectrum distribution of the light passing through the pinholes with different diameter in the place of setting samples was compared in case of the UVSOR and a high pressure mercury lamp, and it was shown that synchrotron radiation has high luminance. The researches on solid state spectroscopy carried out in the above mentioned five facilities are enumerated. In this paper, the high pressure spectroscopic experiment which has been carried out at the UVSOR is reported. The observation of the phase transition of fine particles and the surface phonons of fine particles are described. As fine particle size became smaller, the critical pressure at which phase transition occurred was high. (K.I.)

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

Science.gov (United States)

Spectral signatures of Salmonella serotypes namely Salmonella Typhimurium, Salmonella Enteritidis, Salmonella Infantis, Salmonella Heidelberg and Salmonella Kentucky were collected using Fourier transform infrared spectroscopy (FT-IR). About 5-10 µL of Salmonella suspensions with concentrations of 1...

Long-slit optical spectroscopy of powerful far-infrared galaxies - The nature of the nuclear energy source

Science.gov (United States)

Armus, Lee; Heckman, Timothy M.; Miley, George K.

1989-01-01

Optical spectroscopic data are presented for a sample of 47 powerful far-IR galaxies chosen for IR spectral shape, and for six other IR-bright galaxies. The stellar absorption lines expected from a population of old stars are generally very weak in the nuclei of the galaxies. Very weak Mg I absorption is found in regions well off the nucleus, implying that the visible spectrum is dominated by young stars and not by an AGN. At least one, and probably five, of the galaxies have detectable WR emission features, providing additional evidence for a young stellar population. About 20 percent of the galaxies have strong Balmer absorption lines, indicating the presence of a substantial intermediate-age stellar population. The equivalent width of the H-alpha emission line can be modeled as arising from a mixture of a large young population and an intermediate-age population of stars.

CdS-Sensitized ZnO Nanorod Photoelectrodes: Photoelectrochemistry and Photoinduced Absorption Spectroscopy

Directory of Open Access Journals (Sweden)

Idriss Bedja

2011-01-01

Full Text Available Thin films of ZnO semiconductor nanorods (ZnO-nr of 6 μm length and thin ZnO nanoparticulate films (ZnO-np have been prepared and modified with Q-dots CdS for comparison study. PIA (photoinduced absorption spectroscopy, a multipurpose tool in the study of dye-sensitized solar cells, is used to study a quantum-dot-modified metal-oxide nanostrucutred electrode. Q-dot CdS-sensitized ZnO-nr (1D network sensitized photoelectrode has demonstrated best performances in both photoelectrical response (IPCE max = 92% and broadening response into far visible comparing to ZnO-np-based CdS solar cell. Preadsorbing ZnO-nr with ZnO-np does not bring further improvement. Time constant for electron injection into ZnO-nr conduction band was relatively fast decay of 6.5 ms, similar to TiO2-coated CdS, and proves at least a well pore filling of ZnO-nr film by ultrafine CdS particles. Unidirectional electron transfer mechanistic in ZnO-nr has played a major role in these performances.

ATR and transmission analysis of pigments by means of far infrared spectroscopy.

Science.gov (United States)

Kendix, Elsebeth L; Prati, Silvia; Joseph, Edith; Sciutto, Giorgia; Mazzeo, Rocco

2009-06-01

In the field of FTIR spectroscopy, the far infrared (FIR) spectral region has been so far less investigated than the mid-infrared (MIR), even though it presents great advantages in the characterization of those inorganic compounds, which are inactive in the MIR, such as some art pigments, corrosion products, etc. Furthermore, FIR spectroscopy is complementary to Raman spectroscopy if the fluorescence effects caused by the latter analytical technique are considered. In this paper, ATR in the FIR region is proposed as an alternative method to transmission for the analyses of pigments. This methodology was selected in order to reduce the sample amount needed for analysis, which is a must when examining cultural heritage materials. A selection of pigments have been analyzed in both ATR and transmission mode, and the resulting spectra were compared with each other. To better perform this comparison, an evaluation of the possible effect induced by the thermal treatment needed for the preparation of the polyethylene pellets on the transmission spectra of the samples has been carried out. Therefore, pigments have been analyzed in ATR mode before and after heating them at the same temperature employed for the polyethylene pellet preparation. The results showed that while the heating treatment causes only small changes in the intensity of some bands, the ATR spectra were characterized by differences in both intensity and band shifts towards lower frequencies if compared with those recorded in transmission mode. All pigments' transmission and ATR spectra are presented and discussed, and the ATR method was validated on a real case study.

IR sensitivity enhancement of CMOS Image Sensor with diffractive light trapping pixels.

Science.gov (United States)

Yokogawa, Sozo; Oshiyama, Itaru; Ikeda, Harumi; Ebiko, Yoshiki; Hirano, Tomoyuki; Saito, Suguru; Oinoue, Takashi; Hagimoto, Yoshiya; Iwamoto, Hayato

2017-06-19

We report on the IR sensitivity enhancement of back-illuminated CMOS Image Sensor (BI-CIS) with 2-dimensional diffractive inverted pyramid array structure (IPA) on crystalline silicon (c-Si) and deep trench isolation (DTI). FDTD simulations of semi-infinite thick c-Si having 2D IPAs on its surface whose pitches over 400 nm shows more than 30% improvement of light absorption at λ = 850 nm and the maximum enhancement of 43% with the 540 nm pitch at the wavelength is confirmed. A prototype BI-CIS sample with pixel size of 1.2 μm square containing 400 nm pitch IPAs shows 80% sensitivity enhancement at λ = 850 nm compared to the reference sample with flat surface. This is due to diffraction with the IPA and total reflection at the pixel boundary. The NIR images taken by the demo camera equip with a C-mount lens show 75% sensitivity enhancement in the λ = 700-1200 nm wavelength range with negligible spatial resolution degradation. Light trapping CIS pixel technology promises to improve NIR sensitivity and appears to be applicable to many different image sensor applications including security camera, personal authentication, and range finding Time-of-Flight camera with IR illuminations.

Advancing toward far-infrared interferometry in space through coordinated international efforts

NARCIS (Netherlands)

Leisawitz, D.; Baryshev, A.; Griffin, M. J.; Helmich, F. P.; Ivison, R. J.; Rinehart, S. A.; Savini, G.; Shibai, H.

2013-01-01

The international far-infrared astrophysics community is eager to follow up Spitzer and Herschel observations with sensitive, high-resolution imaging and spectroscopy, for such measurements are needed to understand merger-driven star formation, Active Galactic Nuclei, chemical enrichment in

Using FT-IR Spectroscopy to Elucidate the Structures of Ablative Polymers

Science.gov (United States)

Fan, Wendy

2011-01-01

The composition and structure of an ablative polymer has a multifaceted influence on its thermal, mechanical and ablative properties. Understanding the molecular level information is critical to the optimization of material performance because it helps to establish correlations with the macroscopic properties of the material, the so-called structure-property relationship. Moreover, accurate information of molecular structures is also essential to predict the thermal decomposition pathways as well as to identify decomposition species that are fundamentally important to modeling work. In this presentation, I will describe the use of infrared transmission spectroscopy (FT-IR) as a convenient tool to aid the discovery and development of thermal protection system materials.

The Far Infrared Lines of OH as Molecular Cloud Diagnostics

Science.gov (United States)

Smith, Howard A.

2004-01-01

Future IR missions should give some priority to high resolution spectroscopic observations of the set of far-IR transitions of OH. There are 15 far-IR lines arising between the lowest eight rotational levels of OH, and ISO detected nine of them. Furthermore, ISO found the OH lines, sometimes in emission and sometimes in absorption, in a wide variety of galactic and extragalactic objects ranging from AGB stars to molecular clouds to active galactic nuclei and ultra-luminous IR galaxies. The ISO/LWS Fabry-Perot resolved the 119 m doublet line in a few of the strong sources. This set of OH lines provides a uniquely important diagnostic for many reasons: the lines span a wide wavelength range (28.9 m to 163.2 m); the transitions have fast radiative rates; the abundance of the species is relatively high; the IR continuum plays an important role as a pump; the contribution from shocks is relatively minor; and, not least, the powerful centimeter-wave radiation from OH allows comparison with radio and VLBI datasets. The problem is that the large number of sensitive free parameters, and the large optical depths of the strongest lines, make modeling the full set a difficult job. The SWAS montecarlo radiative transfer code has been used to analyze the ISO/LWS spectra of a number of objects with good success, including in both the lines and the FIR continuum; the DUSTY radiative transfer code was used to insure a self-consistent continuum. Other far IR lines including those from H2O, CO, and [OI] are also in the code. The OH lines all show features which future FIR spectrometers should be able to resolve, and which will enable further refinements in the details of each cloud's structure. Some examples are given, including the case of S140, for which independent SWAS data found evidence for bulk flows.

IR spectroscopy at the ITO-organic interface

Energy Technology Data Exchange (ETDEWEB)

Alt, Milan [Karlsruher Institut fuer Technologie, Karlsruhe (Germany); Shazada, Ahmad [Max-Planck Institut fuer Polymerforschung, Mainz (Germany); Tamanai, Akemi; Trollmann, Jens; Glaser, Tobias; Beck, Sebastian; Tengeler, Sven; Pucci, Annemarie [Kirchhoff-Institut fuer Physik, Heidelberg (Germany)

2012-07-01

Thin films of P3HT have been prepared by spin coating and electrooxidative polymerization on platinum- and ITO-coated substrates. Additionally, P3HT-films on silicon substrates have been prepared by spin coating only. The measured IR spectra of the spin coated films allowed for an elaboration of a detailed optical model for P3HT, which has been used to simulate IR reflection-absorption spectra on ITO and Pt substrates. Comparison of simulated spectra with measurements revealed no substrate influence on the IR spectra for the spincoated films. In case of spincoated P3HT-films on ITO-substrate, the obtained IR spectra correspond to simulation data very well up to 6000 wavenumbers. In the electropolymerized P3HT films we have identified residuals of the electrolyte ionic liquid, acting as dopand for P3HT. While IR spectra of the electropolymerized P3HT films on Pt substrate could be explained reasonably well as a superposition of chemically doped P3HT and the ionic electrolyte, the IR spectra of electropolymerized P3HT films on ITO substrates showed strongly deposition-time dependent deviations. These were most likely related to varying properties of the ITO surface between reference and sample measurement due to an interaction of ITO and the electrolyte at the film-substrate interface.

Synthesis, structural, X-ray photoelectron spectroscopy (XPS) studies and IR induced anisotropy of Tl{sub 4}HgI{sub 6} single crystals

Energy Technology Data Exchange (ETDEWEB)

Parasyuk, O.V. [Department of Inorganic and Physical Chemistry, Lesya Ukrainka Eastern European National University, Voli Ave. 13, Lutsk, 43025 (Ukraine); Khyzhun, O.Y. [Frantsevych Institute for Problems of Materials Science, National Academy of Sciences of Ukraine, 3 Krzhyzhanivsky St., 03142, Kyiv (Ukraine); Piasecki, M. [Institute of Physics, J. Dlugosz University Częstochowa, Armii Krajowej 13/15, Częstochowa (Poland); Kityk, I.V., E-mail: iwank74@gmail.com [Electrical Engineering Department, Czestochowa University Technology, Armii Krajowej 17, PL-42-217, Czestochowa (Poland); Lakshminarayana, G. [Wireless and Photonic Networks Research Centre, Faculty of Engineering, Universiti Putra Malaysia, 43400, Serdang, Selangor (Malaysia); Luzhnyi, I. [Frantsevych Institute for Problems of Materials Science, National Academy of Sciences of Ukraine, 3 Krzhyzhanivsky St., 03142, Kyiv (Ukraine); Fochuk, P.M. [Yuriy Fed’kovych Chernivtsi National University, 2 Kotziubynskoho Str., 58012, Chernivtsi (Ukraine); Fedorchuk, A.O. [Department of Inorganic and Organic Chemistry, Lviv National University of Veterinary Medicine and Biotechnologies, Pekarska Street 50, 79010, Lviv (Ukraine); Levkovets, S.I.; Yurchenko, O.M.; Piskach, L.V. [Department of Inorganic and Physical Chemistry, Lesya Ukrainka Eastern European National University, Voli Ave. 13, Lutsk, 43025 (Ukraine)

2017-02-01

In the present work, we report on the synthesis and structural properties including X-ray protoelectron spectroscopy (XPS) analysis of Tl{sub 4}HgI{sub 6} crystals that were grown by Bridgman-Stockbarger method up to 80 mm in length and 18 mm in diameter. The existence of the ternary compound Tl{sub 4}HgI{sub 6} that melts incongruently at 641 K was confirmed. Phase equilibria and structural properties for the TlI–HgI{sub 2} system were investigated by differential thermal analysis (DTA) and X-ray diffraction (XRD) methods. X-ray photoelectron spectra were measured for both pristine and Ar{sup +} ion-bombarded Tl{sub 4}HgI{sub 6} single crystal surfaces. The data reveal that the Tl{sub 4}HgI{sub 6} single crystal is sensitive with respect to Ar{sup +} ion-bombardment as 3.0 keV Ar{sup +} irradiation over 5 min at an ion current density 14 μA/cm{sup 2} induces changes to the elemental stoichiometry of the Tl{sub 4}HgI{sub 6} surface, leading to a decrease of the mercury content in the topmost surface layers. X-ray photoelectron spectroscopy (XPS) measurements indicate very low hygroscopic nature of the Tl{sub 4}HgI{sub 6} single crystal surface. The IR coherent bicolor laser treatment at wavelengths 10.6/5.3 μm has shown an occurrence of anisotropy at wavelengths 1540 nm of Er:glass laser. This may open the applications of Tl{sub 4}HgI{sub 6} as a material for IR laser triggering. - Highlights: • Phase diagram of the HgI{sub 2}–TlI system was built. • Tl{sub 4}HgI{sub 6} single crystals were grown by Bridgman Stockbarger method. • XRD, XPS analysis was done. • Ir induced anisotropy was established. • The compounds may be proposed as Ir laser operated polarizers.

Mutation induction by 365-nm radiation and far-ultraviolet light in Escherichia coli differing in near- and far-ultraviolet light sensitivity

International Nuclear Information System (INIS)

Leonardo, J.M.; Reynolds, P.R.; Tuveson, R.W.

1984-01-01

The his-4 locus derived from Escherichia coli strain AB1157 has been transduced into 4 E. coli strains that exhibit all 4 possible combinations of genes controlling sensitivity to near-ultraviolet light (nur versus nur + ) and far-ultraviolet light (uvrA6 versus uvrA + ). The 4 strains exhibited the predicted sensitivity to 254-nm radiation based on the sensitivity of the parent strains from which they were derived and the frequency of his + mutations predicted from experiments with AB1157 from which the his-4 locus was derived. When the 4 strains were treated with 365-nm radiation, they exhibited the predicted sensitivity based on the near-ultraviolet light sensitivity of the strains from which they were derived while his + mutations were undetectable with the 4 strains as well as with strain AB1157. When treated with 365-nm radiation, cells of a WP2sub(s) strain (a derivative of B/r transduced to his-4) plated on semi-enriched medium prepared with casamino acids did not yield induced mutations, whereas plating on semi-enriched medium prepared with nutrient broth did yield mutants at both the his-4 and trp loci at frequencies at least an order of magnitude lower than that observed with far-ultraviolet light. The induction of nutritionally independent mutants by 365-nm radiation is strongly dependent on the supplement used for semi-enrichment. When compared at equivalent survival levels, mutant frequencies are significantly less following 365-nm radiation when compared with far-ultraviolet radiation. (Auth.)

Combining FT-IR spectroscopy and multivariate analysis for qualitative and quantitative analysis of the cell wall composition changes during apples development.

Science.gov (United States)

Szymanska-Chargot, M; Chylinska, M; Kruk, B; Zdunek, A

2015-01-22

The aim of this work was to quantitatively and qualitatively determine the composition of the cell wall material from apples during development by means of Fourier transform infrared (FT-IR) spectroscopy. The FT-IR region of 1500-800 cm(-1), containing characteristic bands for galacturonic acid, hemicellulose and cellulose, was examined using principal component analysis (PCA), k-means clustering and partial least squares (PLS). The samples were differentiated by development stage and cultivar using PCA and k-means clustering. PLS calibration models for galacturonic acid, hemicellulose and cellulose content from FT-IR spectra were developed and validated with the reference data. PLS models were tested using the root-mean-square errors of cross-validation for contents of galacturonic acid, hemicellulose and cellulose which was 8.30 mg/g, 4.08% and 1.74%, respectively. It was proven that FT-IR spectroscopy combined with chemometric methods has potential for fast and reliable determination of the main constituents of fruit cell walls. Copyright © 2014 Elsevier Ltd. All rights reserved.

The characterization of natural gemstones using non-invasive FT-IR spectroscopy: New data on tourmalines.

Science.gov (United States)

Mercurio, Mariano; Rossi, Manuela; Izzo, Francesco; Cappelletti, Piergiulio; Germinario, Chiara; Grifa, Celestino; Petrelli, Maurizio; Vergara, Alessandro; Langella, Alessio

2018-02-01

Fourteen samples of tourmaline from the Real Museo Mineralogico of Federico II University (Naples) have been characterized through multi-methodological investigations (EMPA-WDS, SEM-EDS, LA-ICP-MS, and FT-IR spectroscopy). The samples show different size, morphology and color, and are often associated with other minerals. Data on major and minor elements allowed to identify and classify tourmalines as follows: elbaites, tsilaisite, schorl, dravites, uvites and rossmanite. Non-invasive, non-destructive FT-IR and in-situ analyses were carried out on the same samples to validate this chemically-based identification and classification. The results of this research show that a complete characterization of this mineral species, usually time-consuming and expensive, can be successfully achieved through non-destructive FT-IR technique, thus representing a reliable tool for a fast classification extremely useful to plan further analytical strategies, as well as to support gemological appraisals. Copyright © 2017 Elsevier B.V. All rights reserved.

Fourier Transform Infrared Spectroscopy (FT-IR) and Simple Algorithm Analysis for Rapid and Non-Destructive Assessment of Developmental Cotton Fibers.

Science.gov (United States)

Liu, Yongliang; Kim, Hee-Jin

2017-06-22

With cotton fiber growth or maturation, cellulose content in cotton fibers markedly increases. Traditional chemical methods have been developed to determine cellulose content, but it is time-consuming and labor-intensive, mostly owing to the slow hydrolysis process of fiber cellulose components. As one approach, the attenuated total reflection Fourier transform infrared (ATR FT-IR) spectroscopy technique has also been utilized to monitor cotton cellulose formation, by implementing various spectral interpretation strategies of both multivariate principal component analysis (PCA) and 1-, 2- or 3-band/-variable intensity or intensity ratios. The main objective of this study was to compare the correlations between cellulose content determined by chemical analysis and ATR FT-IR spectral indices acquired by the reported procedures, among developmental Texas Marker-1 (TM-1) and immature fiber ( im ) mutant cotton fibers. It was observed that the R value, CI IR , and the integrated intensity of the 895 cm -1 band exhibited strong and linear relationships with cellulose content. The results have demonstrated the suitability and utility of ATR FT-IR spectroscopy, combined with a simple algorithm analysis, in assessing cotton fiber cellulose content, maturity, and crystallinity in a manner which is rapid, routine, and non-destructive.

Weak carbonyl-methyl intermolecular interactions in acetone clusters explored by IR plus VUV spectroscopy

International Nuclear Information System (INIS)

Guan, Jiwen; Hu, Yongjun; Xie, Min; Bernstein, Elliot R.

2012-01-01

Highlights: ► The carbonyl overtone of acetone clusters is observed by IR-VUV spectroscopy. ► Acetone molecules in the dimer are stacked with an antiparallel way. ► The structure of the acetone trimer and the tetramer are the cyclic structures. ► The carbonyl groups would interact with the methyl groups in acetone clusters. ► These weak interactions are further confirmed by H/D substitution experiment. -- Abstract: Size-selected IR–VUV spectroscopy is employed to detect vibrational characteristics in the region 2850 ∼ 3550 cm −1 of neutral acetone and its clusters (CH 3 COCH 3 ) n (n = 1–4). Features around 3440 cm −1 in the spectra of acetone monomer and its clusters are assigned to the carbonyl stretch (CO) overtone. These features red-shift from 3455 to 3433 cm −1 as the size of the clusters increases from the monomer to the tetramer. Based on calculations, the experimental IR spectra in the C=O overtone region suggest that the dominant structures for the acetone trimer and tetramer should be cyclic in the supersonic expansion sample. This study also suggests that the carbonyl groups interact with the methyl groups in the acetone clusters. These weak interactions are further confirmed by the use of deuterium substitution.

Wide-field Spatio-Spectral Interferometry: Bringing High Resolution to the Far- Infrared

Science.gov (United States)

Leisawitx, David

Wide-field spatio-spectral interferometry combines spatial and spectral interferometric data to provide integral field spectroscopic information over a wide field of view. This technology breaks through a mission cost barrier that stands in the way of resolving spatially and measuring spectroscopically at far-infrared wavelengths objects that will lead to a deep understanding of planetary system and galaxy formation processes. A space-based far-IR interferometer will combine Spitzer s superb sensitivity with a two order of magnitude gain in angular resolution, and with spectral resolution in the thousands. With the possible exception of detector technology, which is advancing with support from other research programs, the greatest challenge for far-IR interferometry is to demonstrate that the interferometer will actually produce the images and spectra needed to satisfy mission science requirements. With past APRA support, our team has already developed the highly specialized hardware testbed, image projector, computational model, and image construction software required for the proposed effort, and we have access to an ideal test facility.

Matrix isolation FT-IR spectroscopy and molecular orbital study of sarcosine methyl ester

OpenAIRE

Gómez-Zavaglia, Andrea; Fausto, R.

2004-01-01

N-methylglycine methyl ester (sarcosine-Me) has been studied by matrix isolation FT-IR spectroscopy and molecular orbital calculations undertaken at the DFT/B3LYP and MP2 levels of theory with the 6-311++G(d,p) and 6-31++G(d,p) basis set, respectively. Twelve different conformers were located in the potential energy surface of the studied compound, with the ASC conformer being the ground conformational state. This form is analogous to the dimethylglycine methyl ester most stable conformer and...

FT-IR spectroscopic studies of protein secondary structures for breast cancer diagnosis

International Nuclear Information System (INIS)

Karamancheva, I; Simonova, D.; Milev, A.

2013-01-01

Full text: Roughly 14 million new cancer cases and 8 million cancer deaths have occurred worldwide in 2012. At least 30 % of all cancer cases and 40 % of the cancer deaths should be avoided by improving the early detection. Fourier transform infrared (FT-IR) spectroscopy has shown many advantages as a tool for the detection of cancer over the traditional methods such as histopathological analysis, X-ray transmission, ultrasonic and computer tomography techniques. With the aim to establish the FT-IR spectroscopy as an alternative method for the diagnosis of human cancers, we have made several studies to examine in details the spectroscopic properties of normal and carcinomatous tissues. Human breast tissues were obtained immediately after surgical breast resection with the informed patient's consent. In our studies we made extensive use of Fourier self-deconvolution, second-order derivatization, difference spectra, curve-fitting procedures and quantitative determinations according to Beer's law. Cancer is a multi-step process. Characteristic differences in both the frequencies and the intensity ratios of several bands have been revealed. Considerable differences have been found in the spectral patterns. The most important and informative region in the mid-IR for determination of protein secondary structure is the amide I and amide II region. The bands between 1730 and 1600 cm -1 are highly sensitive to conformational changes. Considerable changes were observed in the A1735/A1652 absorbance ratio, which provides a measure for the content of a- helix and P-sheet domains. Our investigations have shown that the major biomarker peaks are in the amide I and amide II regions. In the so called 'fingerprint region' many molecular constituents such as lipids, phospholipids, proteins, DNA and RNA, carbohydrates and metabolites may overlap and the quantitative interpretation is impossible. The spectrum may therefore reflect only the average biochemical composition.; key words

Sensitivity Analysis to Control the Far-Wake Unsteadiness Behind Turbines

Directory of Open Access Journals (Sweden)

Esteban Ferrer

2017-10-01

Full Text Available We explore the stability of wakes arising from 2D flow actuators based on linear momentum actuator disc theory. We use stability and sensitivity analysis (using adjoints to show that the wake stability is controlled by the Reynolds number and the thrust force (or flow resistance applied through the turbine. First, we report that decreasing the thrust force has a comparable stabilising effect to a decrease in Reynolds numbers (based on the turbine diameter. Second, a discrete sensitivity analysis identifies two regions for suitable placement of flow control forcing, one close to the turbines and one far downstream. Third, we show that adding a localised control force, in the regions identified by the sensitivity analysis, stabilises the wake. Particularly, locating the control forcing close to the turbines results in an enhanced stabilisation such that the wake remains steady for significantly higher Reynolds numbers or turbine thrusts. The analysis of the controlled flow fields confirms that modifying the velocity gradient close to the turbine is more efficient to stabilise the wake than controlling the wake far downstream. The analysis is performed for the first flow bifurcation (at low Reynolds numbers which serves as a foundation of the stabilization technique but the control strategy is tested at higher Reynolds numbers in the final section of the paper, showing enhanced stability for a turbulent flow case.

Development of a method for determination of fatty acid using FT-IR spectroscopy

Directory of Open Access Journals (Sweden)

Dimas Augusto Morozin Zaia

2011-05-01

Full Text Available In the present paper a new methodology has been developed for determination of fatty acids in biological systems using FT-IR spectroscopy. For this method is not necessary chromophore reagent or pre sample preparation. Palmitic acid was chosen as standard, because it is found in several biological systems. The FT-IR spectrum of palmitic acid showed two absorption bands in the region of 2852 and 2920 cm-1 attributed to CH stretching. The results for these bands showed that the Beer-Lambert Law was followed in wide range of concentration of palmitic acid (14 to 257 mmol L-1. Potassium ferricyanide (K3[Fe(CN6] was used as internal standard. Several interferents were tested and only cholesterol, ferric chloride (higher concentration, mixture of amino acids for the band at 2919 cm-1 (higher concentration and triglyceride could be interferent if they appear in high concentration. Thus, this new methodology has advantage to be not expensive and simple.

Achieving sensitive, high-resolution laser spectroscopy at CRIS

Energy Technology Data Exchange (ETDEWEB)

Groote, R. P. de [Instituut voor Kern- en Stralingsfysica, KU Leuven (Belgium); Lynch, K. M., E-mail: kara.marie.lynch@cern.ch [EP Department, CERN, ISOLDE (Switzerland); Wilkins, S. G. [The University of Manchester, School of Physics and Astronomy (United Kingdom); Collaboration: the CRIS collaboration

2017-11-15

The Collinear Resonance Ionization Spectroscopy (CRIS) experiment, located at the ISOLDE facility, has recently performed high-resolution laser spectroscopy, with linewidths down to 20 MHz. In this article, we present the modifications to the beam line and the newly-installed laser systems that have made sensitive, high-resolution measurements possible. Highlights of recent experimental campaigns are presented.

A far-infrared spectroscopic survey of intermediate redshift (ultra) luminous infrared galaxies

International Nuclear Information System (INIS)

Magdis, Georgios E.; Rigopoulou, D.; Hopwood, R.; Clements, D.; Huang, J.-S.; Farrah, D.; Pearson, C.; Alonso-Herrero, Almudena; Bock, J. J.; Cooray, A.; Griffin, M. J.; Oliver, S.; Perez Fournon, I.; Riechers, D.; Swinyard, B. M.; Thatte, N.; Scott, D.; Valtchanov, I.; Vaccari, M.

2014-01-01

We present Herschel far-IR photometry and spectroscopy as well as ground-based CO observations of an intermediate redshift (0.21 ≤ z ≤ 0.88) sample of Herschel-selected (ultra)-luminous infrared galaxies (L IR > 10 11.5 L ☉ ). With these measurements, we trace the dust continuum, far-IR atomic line emission, in particular [C II] 157.7 μm, as well as the molecular gas of z ∼ 0.3 luminous and ultraluminous infrared galaxies (LIRGs and ULIRGs) and perform a detailed investigation of the interstellar medium of the population. We find that the majority of Herschel-selected intermediate redshift (U)LIRGs have L C II /L FIR ratios that are a factor of about 10 higher than that of local ULIRGs and comparable to that of local normal and high-z star-forming galaxies. Using our sample to bridge local and high-z [C II] observations, we find that the majority of galaxies at all redshifts and all luminosities follow an L C II –L FIR relation with a slope of unity, from which local ULIRGs and high- z active-galactic-nucleus-dominated sources are clear outliers. We also confirm that the strong anti-correlation between the L C II /L FIR ratio and the far-IR color L 60 /L 100 observed in the local universe holds over a broad range of redshifts and luminosities, in the sense that warmer sources exhibit lower L C II /L FIR at any epoch. Intermediate redshift ULIRGs are also characterized by large molecular gas reservoirs and by lower star formation efficiencies compared to that of local ULIRGs. The high L C II /L FIR ratios, the moderate star formation efficiencies (L IR /L CO ′ or L IR /M H 2 ), and the relatively low dust temperatures of our sample (which are also common characteristics of high-z star-forming galaxies with ULIRG-like luminosities) indicate that the evolution of the physical properties of (U)LIRGs between the present day and z > 1 is already significant by z ∼ 0.3.

The Intrinsic Far-infrared Continua of Type-1 Quasars

Energy Technology Data Exchange (ETDEWEB)

Lyu, Jianwei; Rieke, George H., E-mail: jianwei@email.arizona.edu [Steward Observatory, University of Arizona, 933 North Cherry Avenue, Tucson, AZ 85721 (United States)

2017-06-01

The range of currently proposed active galactic nucleus (AGN) far-infrared templates results in uncertainties in retrieving host galaxy information from infrared observations and also undermines constraints on the outer part of the AGN torus. We discuss how to test and reconcile these templates. Physically, the fraction of the intrinsic AGN IR-processed luminosity compared with that from the central engine should be consistent with the dust-covering factor. In addition, besides reproducing the composite spectral energy distributions (SEDs) of quasars, a correct AGN IR template combined with an accurate library of star-forming galaxy templates should be able to reproduce the IR properties of the host galaxies, such as the luminosity-dependent SED shapes and aromatic feature strengths. We develop tests based on these expected behaviors and find that the shape of the AGN intrinsic far-IR emission drops off rapidly starting at ∼20 μ m and can be matched by an Elvis et al.-like template with a minor modification. Despite the variations in the near- to mid-IR bands, AGNs in quasars and Seyfert galaxies have remarkably similar intrinsic far-IR SEDs at λ ∼ 20–100 μ m, suggesting a similar emission character of the outermost region of the circumnuclear torus. The variations of the intrinsic AGN IR SEDs among the type-1 quasar population can be explained by the changing relative strengths of four major dust components with similar characteristic temperatures, and there is evidence for compact AGN-heated dusty structures at sub-kiloparsec scales in the far-IR.

Study of the deuterated albumin by FT-IR spectroscopy

International Nuclear Information System (INIS)

Stoenescu, Daniela; Sahini, V.E.

2000-01-01

The albumin is a protein from the soluble or corpuscular protein class, which exists in cells, in dissolved state or in form of a hydrated gel. Proteins are essential constituents beside water, inorganic salts, lipids, carbon hydrates, vitamins, enzymes. The albumin is also a protein soluble in water and in diluted electrolyte solutions (acids, bases and salts). The investigation of the vibration isotopic effect has a great importance both for the diatomic molecules and for the polyatomic molecules. This paper is the first from a series of works which are intended to study the physico-chemical properties of the deuterated albumin and of the albumin solutions in heavy water by an isotopic exchange method. To put in evidence H-D exchange, the FT-IR spectroscopy is used when the deuterated albumin has different layer thickness. It is also of interest to elucidate the isotopic exchange between the hydrogen and oxygen atoms in bovine serum albumin macromolecules. (authors)

Rapid discrimination of sea buckthorn berries from different H. rhamnoides subspecies by multi-step IR spectroscopy coupled with multivariate data analysis

Science.gov (United States)

Liu, Yue; Zhang, Ying; Zhang, Jing; Fan, Gang; Tu, Ya; Sun, Suqin; Shen, Xudong; Li, Qingzhu; Zhang, Yi

2018-03-01

As an important ethnic medicine, sea buckthorn was widely used to prevent and treat various diseases due to its nutritional and medicinal properties. According to the Chinese Pharmacopoeia, sea buckthorn was originated from H. rhamnoides, which includes five subspecies distributed in China. Confusion and misidentification usually occurred due to their similar morphology, especially in dried and powdered forms. Additionally, these five subspecies have vital differences in quality and physiological efficacy. This paper focused on the quick classification and identification method of sea buckthorn berry powders from five H. rhamnoides subspecies using multi-step IR spectroscopy coupled with multivariate data analysis. The holistic chemical compositions revealed by the FT-IR spectra demonstrated that flavonoids, fatty acids and sugars were the main chemical components. Further, the differences in FT-IR spectra regarding their peaks, positions and intensities were used to identify H. rhamnoides subspecies samples. The discrimination was achieved using principal component analysis (PCA) and partial least square-discriminant analysis (PLS-DA). The results showed that the combination of multi-step IR spectroscopy and chemometric analysis offered a simple, fast and reliable method for the classification and identification of the sea buckthorn berry powders from different H. rhamnoides subspecies.

NMR and IR Spectroscopy for the Structural Characterization of Edible Fats and Oils: An Instrumental Analysis Laboratory

Science.gov (United States)

Crowther, Molly W.

2008-01-01

This article describes an upper-level instrumental laboratory for undergraduates that explores the complementary nature of IR and NMR spectroscopy for analysis of several edible fats and oils that are structurally similar but differ in physical properties and health implications. Five different fats and oils are analyzed for average chain length,…

Kinetics of the reaction F+NO+M->FNO+M studied by pulse radiolysis combined with time-resolved IR and UV spectroscopy

DEFF Research Database (Denmark)

Pagsberg, Palle Bjørn; Sillesen, A.; Jodkowski, J.T.

1996-01-01

The title reaction was initiated by pulse radiolysis of SF6/NO gas mixtures, and the formation of FNO was studied by time-resolved IR and UV spectroscopy. At SF6 pressures of 10-320 mbar at 298 K, the formation of FNO was studied by infrared diode laser spectroscopy at 1857.324 cm(-1). Comparative...

Discrimination of Chinese Sauce liquor using FT-IR and two-dimensional correlation IR spectroscopy

Science.gov (United States)

Sun, Su-Qin; Li, Chang-Wen; Wei, Ji-Ping; Zhou, Qun; Noda, Isao

2006-11-01

We applied the three-step IR macro-fingerprint identification method to obtain the IR characteristic fingerprints of so-called Chinese Sauce liquor (Moutai liquor and Kinsly liquor) and a counterfeit Moutai. These fingerprints can be used for the identification and discrimination of similar liquor products. The comparison of their conventional IR spectra, as the first step of identification, shows that the primary difference in Sauce liquor is the intensity of characteristic peaks at 1592 and 1225 cm -1. The comparison of the second derivative IR spectra, as the second step of identification, shows that the characteristic absorption in 1400-1800 cm -1 is substantially different. The comparison of 2D-IR correlation spectra, as the third and final step of identification, can discriminate the liquors from another direction. Furthermore, the method was successfully applied to the discrimination of a counterfeit Moutai from the genuine Sauce liquor. The success of the three-step IR macro-fingerprint identification to provide a rapid and effective method for the identification of Chinese liquor suggests the potential extension of this technique to the identification and discrimination of other wine and spirits, as well.

Application of Fourier transform infrared (FT-IR) spectroscopy to the study of the modification of epoxidized sunflower oil by acrylation.

Science.gov (United States)

Irinislimane, Ratiba; Belhaneche-Bensemra, Naima

2012-12-01

Commercial sunflower oil was epoxidized at the laboratory-scale. The epoxidized sunflower oil (ESFO) was modified following the acrylation reaction. Modification was carried out simultaneously using acrylic acid (AA) and triethylamine (TEA). To optimize the reaction conditions, the effects of four temperatures (40, 60, 80, and 100 °C), the ESFO:AA (100:100) ratio, and 0.2% TEA were investigated. The rate of conversion was analyzed with both FT-IR and titration of the oxirane ring. After that, the temperature with the highest conversion was selected and used throughout for all modification reactions. Then, four ratios (100:100, 100:90, 100:80, and 100:75) of ESFO:AA were analyzed at four different concentrations of TEA (0.2, 0.3, 0.4, and 0.5%) to determine the best estimate for both the ESFO:AA ratio and the catalyst concentration. Conversion rate was analyzed using FT-IR spectroscopy by measuring the concentrations of ester, carbonyl, and alcohol groups. Moreover, oxirane-ring concentration was estimated using the titration method (with gentian violet as indicator) and FT-IR spectroscopy (epoxy ring absorptions at 1270 cm(-1) and 877 cm(-1)). Based on conversion yield, the optimum ESFO:AA ratio corresponds to 100:80; the best temperature reaction was at 60 °C, and the best TEA concentration was 0.2%. The critical amounts of reactants needed to reach maximum conversion were established. The final acid value of the acrylated ESFO after washing (pH = 7) was 2.1 mg potassium hydroxide (KOH)·g(-1). All results show that FT-IR spectroscopy is a simple, low-cost, rapid method for investigating the kinetics of a reaction.

Evaluation of Polymerization Efficacy in Composite Resins via FT-IR Spectroscopy and Vickers Microhardness Test

Directory of Open Access Journals (Sweden)

Tahereh-Sadat Jafarzadeh

2015-12-01

Full Text Available Background and aims. Polymerization efficacy affects the properties and performance of composite resin restorations.The purpose of this study was to evaluate the effectiveness of polymerization of two micro-hybrid, two nano-hybrid and one nano-filled ormocer-based composite resins, cured by two different light-curing systems, using Fourier transformation infrared (FT-IR spectroscopy and Vickers microhardness testing at two different depths (top surface, 2 mm. Materials and methods. For FT-IR spectrometry, five cylindrical specimens (5mm in diameter × 2 mm in length were prepared from each composite resin using Teflon molds and polymerized for 20 seconds. Then, 70-μm wafers were sectioned at the top surface and at2mm from the top surface. The degree of conversion for each sample was calculated using FT-IR spectroscopy. For Vickers micro-hardness testing, three cylindrical specimens were prepared from each composite resin and polymerized for 20 seconds. The Vickers microhardness test (Shimadzu, Type M, Japan was performed at the top and bottom (depth=2 mm surfaces of each specimen. Three-way ANOVA with independent variables and Tukey tests were performed at 95% significance level. Results. No significant differences were detected in degree of conversion and microhardness between LED and QTH light-curing units except for the ormocer-based specimen, CeramX, which exhibited significantly higher DC by LED. All the composite resins showed a significantly higher degree of conversion at the surface. Microhardness was not significantly affected by depth, except for Herculite XRV Ultra and CeramX, which showed higher values at the surface. Conclusion. Composite resins containing nano-particles generally exhibited more variations in degree of conversion and microhardness.

Evaluation of Polymerization Efficacy in Composite Resins via FT-IR Spectroscopy and Vickers Microhardness Test.

Science.gov (United States)

Jafarzadeh, Tahereh-Sadat; Erfan, Mohammad; Behroozibakhsh, Marjan; Fatemi, Mostafa; Masaeli, Reza; Rezaei, Yashar; Bagheri, Hossein; Erfan, Yasaman

2015-01-01

Background and aims. Polymerization efficacy affects the properties and performance of composite resin restorations.The purpose of this study was to evaluate the effectiveness of polymerization of two micro-hybrid, two nano-hybrid and one nano-filled ormocer-based composite resins, cured by two different light-curing systems, using Fourier transformation infrared (FT-IR) spectroscopy and Vickers microhardness testing at two different depths (top surface, 2 mm). Materials and methods. For FT-IR spectrometry, five cylindrical specimens (5mm in diameter × 2 mm in length) were prepared from each composite resin using Teflon molds and polymerized for 20 seconds. Then, 70-μm wafers were sectioned at the top surface and at2mm from the top surface. The degree of conversion for each sample was calculated using FT-IR spectroscopy. For Vickers micro-hardness testing, three cylindrical specimens were prepared from each composite resin and polymerized for 20 seconds. The Vickers microhardness test (Shimadzu, Type M, Japan) was performed at the top and bottom (depth=2 mm) surfaces of each specimen. Three-way ANOVA with independent variables and Tukey tests were performed at 95% significance level. Results. No significant differences were detected in degree of conversion and microhardness between LED and QTH light-curing units except for the ormocer-based specimen, CeramX, which exhibited significantly higher DC by LED. All the composite resins showed a significantly higher degree of conversion at the surface. Microhardness was not significantly affected by depth, except for Herculite XRV Ultra and CeramX, which showed higher values at the surface. Conclusion. Composite resins containing nano-particles generally exhibited more variations in degree of conversion and microhardness.

Development of C-lignin with G/S-lignin and lipids in orchid seed coats – an unexpected diversity exposed by ATR-FT-IR spectroscopy

DEFF Research Database (Denmark)

Barsberg, Søren Talbro; Lee, Y.-I.; Rasmussen, Hanne Nina

2018-01-01

Cite this article: Barsberg ST, Lee Y-I, Rasmussen HN. Development of C-lignin with G/S-lignin and lipids in orchid seed coats – an unexpected diversity exposed by ATR-FT-IR spectroscopy. Seed Science Research https:// doi.org/10.1017/S0960258517000344......Cite this article: Barsberg ST, Lee Y-I, Rasmussen HN. Development of C-lignin with G/S-lignin and lipids in orchid seed coats – an unexpected diversity exposed by ATR-FT-IR spectroscopy. Seed Science Research https:// doi.org/10.1017/S0960258517000344...

Highly Stable, All-fiber, High Power ZBLAN Supercontinuum Source Reaching 4.75 µm used for Nanosecond mid-IR Spectroscopy

DEFF Research Database (Denmark)

Moselund, Peter M.; Petersen, Christian; Leick, Lasse

2013-01-01

We demonstrate compact all-fiber mid-IR supercontinuum generation up to 4.75 μm with 1.2 W output power during hundreds of hours. This source is applied to upconversion spectroscopy using the energy corresponding to a single pulse....

Seasonal Variability of Saturn's Tropospheric Temperatures, Winds and Para-H2 from Cassini Far-IR Spectroscopy

Science.gov (United States)

Fletcher, Leigh N.; Irwin, P. G. J; Achterberg, R. K.; Orton, G. S.; Flasar, F. M.

2015-01-01

Far-IR 16-1000 micrometer spectra of Saturn's hydrogen-helium continuum measured by Cassini's Composite Infrared Spectrometer (CIRS) are inverted to construct a near-continuous record of upper tropospheric (70-700 mbar) temperatures and para-H2 fraction as a function of latitude, pressure and time for a third of a saturnian year (2004-2014, from northern winter to northern spring). The thermal field reveals evidence of reversing summertime asymmetries superimposed onto the belt/zone structure. The temperature structure is almost symmetric about the equator by 2014, with seasonal lag times that increase with depth and are qualitatively consistent with radiative climate models. Localised heating of the tropospheric hazes (100-250 mbar) create a distinct perturbation to the temperature profile that shifts in magnitude and location, declining in the autumn hemisphere and growing in the spring. Changes in the para-H2 (f(sub p)) distribution are subtle, with a 0.02-0.03 rise over the spring hemisphere (200-500 mbar) perturbed by (i) low-f(sub p) air advected by both the springtime storm of 2010 and equatorial upwelling; and (ii) subsidence of high-f(sub p) air at northern high latitudes, responsible for a developing north-south asymmetry in f(sub p). Conversely, the shifting asymmetry in the para-H2 disequilibrium primarily reflects the changing temperature structure (and hence the equilibrium distribution of f(sub p)), rather than actual changes in f(sub p) induced by chemical conversion or transport. CIRS results interpolated to the same point in the seasonal cycle as re-analysed Voyager-1 observations (early northern spring) show qualitative consistency from year to year (i.e., the same tropospheric asymmetries in temperature and f(sub p)), with the exception of the tropical tropopause near the equatorial zones and belts, where downward propagation of a cool temperature anomaly associated with Saturn's stratospheric oscillation could potentially perturb tropopause

Bio-inspired, sub-wavelength surface structures for ultra-broadband, omni-directional anti-reflection in the mid and far IR.

Science.gov (United States)

Gonzalez, Federico Lora; Gordon, Michael J

2014-06-02

Quasi-ordered moth-eye arrays were fabricated in Si using a colloidal lithography method to achieve highly efficient, omni-directional transmission of mid and far infrared (IR) radiation. The effect of structure height and aspect ratio on transmittance and scattering was explored experimentally and modeled quantitatively using effective medium theory. The highest aspect ratio structures (AR = 9.4) achieved peak transmittance of 98%, with >85% transmission for λ = 7-30 μm. A detailed photon balance was constructed by measuring transmission, forward scattering, specular reflection and diffuse reflection to quantify optical losses due to near-field effects. In addition, angle-dependent transmission measurements showed that moth-eye structures provide superior anti-reflective properties compared to unstructured interfaces over a wide angular range (0-60° incidence). The colloidal lithography method presented here is scalable and substrate-independent, providing a general approach to realize moth-eye structures and anti-reflection in many IR-compatible material systems.

Characterizing the Energetics of the Youngest Protostars: FIFI-LS Spectroscopy of Herschel-Identified Extreme Class 0 objects in Orion

Science.gov (United States)

Megeath, S.

2014-10-01

We propose FIFI-LS spectroscopy observations toward 3 of the youngest known Herschel- detected Class 0 protostars in the Orion molecular clouds. Characterization of the far-IR spectrum toward these PACS Bright Red Sources (PBRS) is imperative: this is the only observational means to characterize the complete energetics of the outflow in the earliest stages of the star formation process. We have already obtained Herschel-PACS spectroscopy for 8/14 PBRS; for these, the CO rotation temperatures are systematically lower than the larger samples of 'more typical' protostars observed. Furthermore, all of the Herschel-detected PBRS also have CARMA CO (J=1-0) outflow maps, enabling us to identify tentative trends between the detection and morphology (compact or extended) of the CO outflow and the presence or lack of far-infrared emission lines. Moreover, we only convincingly detect [OI] emission toward the source with the brightest outflow emission; thus, [OI] may not be universally present in protostellar outflows. However, due to the small-numbers with PACS spectroscopy, it is unclear if these trends are real and the three proposed PBRS have outflow maps of varying morphologies, but no far-infrared spectra. The results from this program will provide a firm observational footing for the presence or lack of such trends and will strengthen the connection of the far-IR emission lines to the outflow.

Ultrafast stimulated Raman spectroscopy in the near-infrared region

International Nuclear Information System (INIS)

Takaya, Tomohisa

2016-01-01

A number of electronic transitions in the near-infrared wavelength region are associated with migration or delocalization of electrons in large molecules or molecular systems. Time-resolved near-infrared Raman spectroscopy will be a powerful tool for investigating the structural dynamic of samples with delocalized electrons. However, the sensitivity of near-infrared spontaneous Raman spectrometers is significantly low due to an extremely small probability of Raman scattering and a low sensitivity of near-infrared detectors. Nonlinear Raman spectroscopy is one of the techniques that can overcome the sensitivity problems and enable us to obtain time-resolved Raman spectra in resonance with near-IR transitions. In this article, the author introduces recent progress of ultrafast time-resolved near-infrared stimulated Raman spectroscopy. Optical setup, spectral and temporal resolution, and applications of the spectrometer are described. (author)

Infrared (IR) photon-sensitive spectromicroscopy in a cryogenic environment

Science.gov (United States)

Pereverzev, Sergey

2016-06-14

A system designed to suppress thermal radiation background and to allow IR single-photon sensitive spectromicroscopy of small samples by using both absorption, reflection, and emission/luminescence measurements. The system in one embodiment includes: a light source; a plurality of cold mirrors configured to direct light along a beam path; a cold or warm sample holder in the beam path; windows of sample holder (or whole sample holder) are transparent in a spectral region of interest, so they do not emit thermal radiation in the same spectral region of interest; a cold monochromator or other cold spectral device configured to direct a selected fraction of light onto a cold detector; a system of cold apertures and shields positioned along the beam path to prevent unwanted thermal radiation from arriving at the cold monochromator and/or the detector; a plurality of optical, IR and microwave filters positioned along the beam path and configured to adjust a spectral composition of light incident upon the sample under investigation and/or on the detector; a refrigerator configured to maintain the detector at a temperature below 1.0K; and an enclosure configured to: thermally insulate the light source, the plurality of mirrors, the sample holder, the cold monochromator and the refrigerator.

Towards a Molecular Movie: Real Time Observation of Hydrogen Bond Breaking by Transient 2D-IR Spectroscopy in a Cyclic Peptide

Science.gov (United States)

Kolano, Christoph; Helbing, Jan; Sander, Wolfram; Hamm, Peter

Transient two-dimensional infrared spectroscopy (T2D-IR) has been used to observe in real time the non-equilibrium structural dynamics of intramolecular hydrogen bond breaking in a small cyclic disulfide-bridged peptide.

Exploring the Dynamics of Superconductors by Time-Resolved Far-Infrared Spectroscopy

International Nuclear Information System (INIS)

Carr, G. L.; Lobo, R. P. S. M.; LaVeigne, J.; Reitze, D. H.; Tanner, D. B.

2000-01-01

We have examined the recombination of excess quasiparticles in superconducting Pb by time-resolved far-infrared spectroscopy using a pulsed synchrotron source. The energy gap shift calculated by Owen and Scalapino [Phys. Rev. Lett. 28, 1559 (1972)] is directly observed, as is the associated reduction in the Cooper pair density. The relaxation process involves a two-component decay; the faster (∼200 ps) is associated with the actual (effective) recombination process, while the slower (∼10 to 100ns) is due to heat transport across the film/substrate interface. The temperature dependence of the recombination process between 0.5T c and 0.85T c is in good agreement with theory

Fibre-Optic IR-Spectroscopy for Biomedical Diagnostics

OpenAIRE

Bindig, Uwe; Gersonde, Ingo; Meinke, Martina; Becker, Yukiyo; Müller, Gerhard

2003-01-01

The use of microscopy is a valuable means of gaining vital information for medical diagnostics. Due to a number of recent technological developments advances have been made in IR microscopy and in particular, rapid detection methods. Microscopic examination methods usually involve sampling followed by a method of sample purification or preparation. The advantages of the IR analytical method are that it is based on a direct, non‒destructive measurement of sample material and that the resulting...

Far-infrared spectroscopy of HII regions

International Nuclear Information System (INIS)

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

1984-01-01

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

A new Density Functional Theory (DFT) based method for supporting the assignment of vibrational signatures of mannan and cellulose—Analysis of palm kernel cake hydrolysis by ATR-FT-IR spectroscopy as a case study

DEFF Research Database (Denmark)

Barsberg, Søren Talbro; Sanadi, Anand Ramesh; Jørgensen, Henning

2011-01-01

Attenuated Total Reflectance (ATR) FT-IR spectroscopy gives in situ information on molecular concentration, organization and interactions in plant cell walls. We demonstrate its potential for further developments by a case study which combines ATR-FT-IR spectroscopy with a recently published DFT...... a decreasing degree of polymerization to be a plausible cause, although others may interfere. Keywords: Cellulose; Mannan; FT-IR; DFT; Molecular modelling; Palm kernel...

Characterization of Hydrogen Bonds by IR Spectroscopy

Directory of Open Access Journals (Sweden)

Vojta, D.

2012-05-01

Full Text Available In the identification and quantification of hydrogen bond, as one of the most abundant non-covalent interactions in phenomena like self-assembly and molecular recognition, IR spectrosopy has been employed as the most sensitive method. The performance of the high dilution method enables determination of the stability constant of hydrogen-bonded complex as one of the most important thermodynamic quantities used in their characterization. However, the alleged experimental simplicity of the mentioned method is loaded with errors originating not only from researcher intervention but also independent from it. The second source of error is particularly emphasized and elaborated in this paper, which is designed as the recipe for the successful characterization of hydrogen bonds. Besides the enumeration of all steps in the determination of hydrogen-bonded stability constants, the reader can be acquainted with the most important ex perimental conditions that should be fulfilled in order to minimize the naturally occurring errors in this type of investigation. In the spectral analysis, the application of both uni- and multivariate approach has been discussed. Some computer packages, considering the latter, are mentioned, described, and recommended. KUI -10/2012Received August 1, 2011Accepted October 24, 2011

An overview on the research of Sr2IrO4-based system probed by X-ray absorption spectroscopy

Science.gov (United States)

Cheng, Jie; Zhu, Chaomin; Ma, Jingyuan; Wang, Yu; Liu, Shengli

2018-03-01

Investigations of materials with 5d transition metal ions have opened up new paradigms in condensed-matter physics because of their large spin-orbit coupling (SOC) interactions. The typical compound is Sr2IrO4, which attracted much attention due to its similarities to the parent compound of high-Tc cuprate superconductor La2CuO4. Theoretical calculations predicted that the unconventional superconductivity can occur in carrier doped-Sr2IrO4 system. Until now, hundreds of experimental methods were devoted to investigate the carrier doping effect on Sr2IrO4. Synchrotron radiation-based X-ray absorption spectroscopy (XAS) made great contributions to the local lattice and electronic structure, and also the intimate relationship between the local structure and physical properties induced by carrier doping. The aim of this review is a short introduction to the progress of research on Sr2IrO4-based system probed by the unique technique — XAS, including the strength of the SOC, valence changes upon doping and even local lattice structure with atomic level for this Sr2IrO4-based family.

A study of Sn addition on bonding arrangement of Se-Te alloys using far infrared transmission spectroscopy

International Nuclear Information System (INIS)

Kumar, Rajneesh; Rangra, V. S.; Sharma, Parikshit; Katyal, S. C.; Sharma, Pankaj

2011-01-01

Far infrared transmission spectra of Se 92 Te 8-x Sn x (x = 0, 1, 2, 3, 4, 5) glassy alloys are obtained in the spectral range 50-600 cm -1 at room temperature. The results are interpreted in terms of the vibrations of the isolated molecular units in such a way so as to preserve fourfold and twofold coordination for Sn and chalcogen atoms (Se,Te), respectively. With the addition of Sn, Far-IR spectra shift toward high frequency side and some new bands start appearing. Sn atoms appear to substitute for the selenium atoms in the outrigger sites due to large bond formation probability. Theoretical calculations of bond energy, relative probability of bond formation, force constant, and wave number were also made to justify the result.

Ultrasensitive detection of atmospheric trace gases using frequency modulation spectroscopy

Science.gov (United States)

Cooper, David E.

1986-01-01

Frequency modulation (FM) spectroscopy is a new technique that promises to significantly extend the state-of-the-art in point detection of atmospheric trace gases. FM spectroscopy is essentially a balanced bridge optical heterodyne approach in which a small optical absorption or dispersion from an atomic or molecular species of interest generates an easily detected radio frequency (RF) signal. This signal can be monitored using standard RF signal processing techniques and is, in principle, limited only by the shot noise generated in the photodetector by the laser source employed. The use of very high modulation frequencies which exceed the spectral width of the probed absorption line distinguishes this technique from the well-known derivative spectroscopy which makes use of low (kHz) modulation frequencies. FM spectroscopy was recently extended to the 10 micron infrared (IR) spectral region where numerous polyatomic molecules exhibit characteristic vibrational-rotational bands. In conjunction with tunable semiconductor diode lasers, the quantum-noise-limited sensitivity of the technique should allow for the detection of absorptions as small as .00000001 in the IR spectral region. This sensitivity would allow for the detection of H2O2 at concentrations as low as 1 pptv with an integration time of 10 seconds.

Enhancing the far-UV sensitivity of silicon CMOS imaging arrays

Science.gov (United States)

Retherford, K. D.; Bai, Yibin; Ryu, Kevin K.; Gregory, J. A.; Welander, Paul B.; Davis, Michael W.; Greathouse, Thomas K.; Winter, Gregory S.; Suntharalingam, Vyshnavi; Beletic, James W.

2014-07-01

We report our progress toward optimizing backside-illuminated silicon PIN CMOS devices developed by Teledyne Imaging Sensors (TIS) for far-UV planetary science applications. This project was motivated by initial measurements at Southwest Research Institute (SwRI) of the far-UV responsivity of backside-illuminated silicon PIN photodiode test structures described in Bai et al., SPIE, 2008, which revealed a promising QE in the 100-200 nm range as reported in Davis et al., SPIE, 2012. Our effort to advance the capabilities of thinned silicon wafers capitalizes on recent innovations in molecular beam epitaxy (MBE) doping processes. Key achievements to date include: 1) Representative silicon test wafers were fabricated by TIS, and set up for MBE processing at MIT Lincoln Laboratory (LL); 2) Preliminary far-UV detector QE simulation runs were completed to aid MBE layer design; 3) Detector fabrication was completed through the pre-MBE step; and 4) Initial testing of the MBE doping process was performed on monitoring wafers, with detailed quality assessments. Early results suggest that potential challenges in optimizing the UV-sensitivity of silicon PIN type CMOS devices, compared with similar UV enhancement methods established for CCDs, have been mitigated through our newly developed methods. We will discuss the potential advantages of our approach and briefly describe future development steps.

Quantitative terahertz time-domain spectroscopy and analysis in chemistry and biology

DEFF Research Database (Denmark)

Jepsen, Peter Uhd

2005-01-01

I will describe how Terahertz Time-Domain Spectroscopy (THz-TDS) can be used for quantitative, broadband spectroscopy in the far-infrared spectral region. Thz-TDS is sensitive to long-range, non-covalent interactions in the condensed phase, for instance intermolecular hydrogen bonding in molecula...

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

Science.gov (United States)

Zapata, Félix; de la Ossa, Ma Ángeles Fernández; García-Ruiz, Carmen

2016-04-01

Body fluids are evidence of great forensic interest due to the DNA extracted from them, which allows genetic identification of people. This study focuses on the discrimination among semen, vaginal fluid, and urine stains (main fluids in sexual crimes) placed on different colored cotton fabrics by external reflection Fourier transform infrared spectroscopy (FT-IR) combined with chemometrics. Semen-vaginal fluid mixtures and potential false positive substances commonly found in daily life such as soaps, milk, juices, and lotions were also studied. Results demonstrated that the IR spectral signature obtained for each body fluid allowed its identification and the correct classification of unknown stains by means of principal component analysis (PCA) and soft independent modeling of class analogy (SIMCA). Interestingly, results proved that these IR spectra did not show any bands due to the color of the fabric and no substance of those present in daily life which were analyzed, provided a false positive. © The Author(s) 2016.

ATR FT-IR spectroscopy on Vmh2 hydrophobin self-assembled layers for Teflon membrane bio-functionalization

International Nuclear Information System (INIS)

Portaccio, M.; Gravagnuolo, A.M.; Longobardi, S.; Giardina, P.; Rea, I.; De Stefano, L.; Cammarota, M.; Lepore, M.

2015-01-01

Graphical abstract: - Highlights: • Hydrophobin self-assembled layers on Teflon in different preparation conditions were investigated. • ATR collection data geometry allowed samples examination without any particular preparation. • Amide content, lipid/amide and carbohydrate/amide ratios of the protein layer were estimated. • Secondary structure of protein was determined for the examined samples. • FT-IR demonstrated to be of extreme relevance in monitoring hydrophobin self-assembled layers preparation. - Abstract: Surface functionalization by layers of hydrophobins, amphiphilic proteins produced by fungi offers a promising and green strategy for fabrication of biomedical and bioanalytical devices. The layering process of the Vmh2 hydrophobin from Pleurotus ostreatus on Teflon membrane has been investigated by Attenuated Total Reflection Fourier Transform Infrared (ATR FT-IR) spectroscopy. In particular, protein layers obtained with hydrophobin purified with two different procedures and in various coating conditions have been examined. The layers have been characterized by quantifying the amide I and amide II band area together with the lipid/amide ratio and carbohydrate/amide ratio. This characterization can be very useful in evaluating the best purification strategy and coating conditions. Moreover the analysis of the secondary structure of the layered protein using the deconvolution procedure of amide I band indicate the prevalent contribution from β-sheet state. The results inferred by infrared spectroscopy have been also confirmed by scanning electron microscopy imaging

ATR FT-IR spectroscopy on Vmh2 hydrophobin self-assembled layers for Teflon membrane bio-functionalization

Energy Technology Data Exchange (ETDEWEB)

Portaccio, M., E-mail: marianna.portaccio@unina2.it [Dipartimento di Medicina Sperimentale – Seconda Università di Napoli, Via S.M. di Costantinopoli, 16-80134 Napoli (Italy); Gravagnuolo, A.M., E-mail: alfredomaria.gravagnuolo@unina.it [Dipartimento di Scienze Chimiche, Università “Federico II”, Via Cintia, 21- 80126 Napoli (Italy); Longobardi, S., E-mail: sara.longobardi@unina.it [Dipartimento di Scienze Chimiche, Università “Federico II”, Via Cintia, 21- 80126 Napoli (Italy); Giardina, P., E-mail: paola.giardina@unina.it [Dipartimento di Scienze Chimiche, Università “Federico II”, Via Cintia, 21- 80126 Napoli (Italy); Rea, I., E-mail: ilaria.rea@na.imm.cnr.it [Institute for Microelectronics and Microsystems, CNR, Via P. Castellino, 111-80131 Napoli (Italy); De Stefano, L., E-mail: luca.destefano@na.imm.cnr.it [Institute for Microelectronics and Microsystems, CNR, Via P. Castellino, 111-80131 Napoli (Italy); Cammarota, M., E-mail: marcella.cammarota@unina2.it [Dipartimento di Medicina Sperimentale – Seconda Università di Napoli, Via S.M. di Costantinopoli, 16-80134 Napoli (Italy); Lepore, M., E-mail: maria.lepore@unina2.it [Dipartimento di Medicina Sperimentale – Seconda Università di Napoli, Via S.M. di Costantinopoli, 16-80134 Napoli (Italy)

2015-10-01

Graphical abstract: - Highlights: • Hydrophobin self-assembled layers on Teflon in different preparation conditions were investigated. • ATR collection data geometry allowed samples examination without any particular preparation. • Amide content, lipid/amide and carbohydrate/amide ratios of the protein layer were estimated. • Secondary structure of protein was determined for the examined samples. • FT-IR demonstrated to be of extreme relevance in monitoring hydrophobin self-assembled layers preparation. - Abstract: Surface functionalization by layers of hydrophobins, amphiphilic proteins produced by fungi offers a promising and green strategy for fabrication of biomedical and bioanalytical devices. The layering process of the Vmh2 hydrophobin from Pleurotus ostreatus on Teflon membrane has been investigated by Attenuated Total Reflection Fourier Transform Infrared (ATR FT-IR) spectroscopy. In particular, protein layers obtained with hydrophobin purified with two different procedures and in various coating conditions have been examined. The layers have been characterized by quantifying the amide I and amide II band area together with the lipid/amide ratio and carbohydrate/amide ratio. This characterization can be very useful in evaluating the best purification strategy and coating conditions. Moreover the analysis of the secondary structure of the layered protein using the deconvolution procedure of amide I band indicate the prevalent contribution from β-sheet state. The results inferred by infrared spectroscopy have been also confirmed by scanning electron microscopy imaging.

Mesoporous silica nanoparticle supported PdIr bimetal catalyst for selective hydrogenation, and the significant promotional effect of Ir

Energy Technology Data Exchange (ETDEWEB)

Yang, Hui; Huang, Chao; Yang, Fan [The Key Laboratory of Fuel Cell Technology of Guangdong Province, School of Chemistry and Chemical Engineering, South China University of Technology, Guangzhou 510641 (China); Yang, Xu [Key Laboratory of Renewable Energy, Guangzhou Institute of Energy Conversion, Chinese Academy of Sciences, Guangzhou (China); Du, Li [The Key Laboratory of Fuel Cell Technology of Guangdong Province, School of Chemistry and Chemical Engineering, South China University of Technology, Guangzhou 510641 (China); Key Laboratory of Renewable Energy, Guangzhou Institute of Energy Conversion, Chinese Academy of Sciences, Guangzhou (China); Liao, Shijun, E-mail: chsjliao@scut.edu.cn [The Key Laboratory of Fuel Cell Technology of Guangdong Province, School of Chemistry and Chemical Engineering, South China University of Technology, Guangzhou 510641 (China); Key Laboratory of Renewable Energy, Guangzhou Institute of Energy Conversion, Chinese Academy of Sciences, Guangzhou (China)

2015-12-01

Graphical abstract: A mesoporous silica nanoparticle (MSN) supported bimetal catalyst, PdIr/MSN, was prepared by a facile impregnation and hydrogen reduction method. The strong promotional effect of Ir was observed and thoroughly investigated. At the optimal molar ratio of Ir to Pd (N{sub Ir}/N{sub Pd} = 0.1), the activity of PdIr{sub 0.1}/MSN was up to eight times and 28 times higher than that of monometallic Pd/MSN and Ir/MSN, respectively. The catalysts were characterized comprehensively by X-ray diffraction, transmission electron microscopy, X-ray photoelectron spectroscopy, and hydrogen temperature programmed reduction, which revealed that the promotional effect of Ir may be due to the enhanced dispersion of active components on the MSN, and to the intensified Pd–Ir electronic interaction caused by the addition of Ir. - Highlights: • Mesoporous nanoparticles were synthesized and used as support for metal catalyst. • PdIr bimetallic catalyst exhibited significantly improved hydrogenation activity. • The strong promotion of Ir was recognized firstly and investigated intensively. • PdIr exhibits 18 times higher activity than Pd to the hydrogenation of nitrobenzene. - Abstract: A mesoporous silica nanoparticle (MSN) supported bimetal catalyst, PdIr/MSN, was prepared by a facile impregnation and hydrogen reduction method. The strong promotional effect of Ir was observed and thoroughly investigated. At the optimal molar ratio of Ir to Pd (N{sub Ir}/N{sub Pd} = 0.1), the activity of PdIr{sub 0.1}/MSN was up to eight times and 28 times higher than that of monometallic Pd/MSN and Ir/MSN, respectively. The catalysts were characterized comprehensively by X-ray diffraction, transmission electron microscopy, X-ray photoelectron spectroscopy, and hydrogen temperature programmed reduction, which revealed that the promotional effect of Ir may be due to the enhanced dispersion of active components on the MSN, and to the intensified Pd–Ir electronic interaction

Identification of forged Bank of England £20 banknotes using IR spectroscopy.

Science.gov (United States)

Sonnex, Emily; Almond, Matthew J; Baum, John V; Bond, John W

2014-01-24

Bank of England notes of £20 denomination have been studied using infrared spectroscopy in order to generate a method to identify forged notes. An aim of this work was to develop a non-destructive method so that a small, compact Fourier transform infrared spectrometer (FT-IR) instrument could be used by bank workers, police departments or others such as shop assistants to identify forged notes in a non-lab setting. The ease of use of the instrument is the key to this method, as well as the relatively low cost. The presence of a peak at 1400 cm(-1) arising from νasym (CO3(2-)) from the blank paper section of a forged note proved to be a successful indicator of the note's illegality for the notes that we studied. Moreover, differences between the spectra of forged and genuine £20 notes were observed in the ν(OH) (ca. 3500 cm(-1)), ν(C-H) (ca. 2900 cm(-1)) and ν(C=O) (ca. 1750 cm(-1)) regions of the IR spectrum recorded for the polymer film covering the holographic strip. In cases where these simple tests fail, we have shown how an infrared microscope can be used to further differentiate genuine and forged banknotes by producing infrared maps of selected areas of the note contrasting inks with background paper. Copyright © 2013 Elsevier B.V. All rights reserved.

Identification of forged Bank of England £20 banknotes using IR spectroscopy

Science.gov (United States)

Sonnex, Emily; Almond, Matthew J.; Baum, John V.; Bond, John W.

2014-01-01

Bank of England notes of £20 denomination have been studied using infrared spectroscopy in order to generate a method to identify forged notes. An aim of this work was to develop a non-destructive method so that a small, compact Fourier transform infrared spectrometer (FT-IR) instrument could be used by bank workers, police departments or others such as shop assistants to identify forged notes in a non-lab setting. The ease of use of the instrument is the key to this method, as well as the relatively low cost. The presence of a peak at 1400 cm-1 arising from νasym (CO32-) from the blank paper section of a forged note proved to be a successful indicator of the note's illegality for the notes that we studied. Moreover, differences between the spectra of forged and genuine £20 notes were observed in the ν(OH) (ca. 3500 cm-1), ν(Csbnd H) (ca. 2900 cm-1) and ν(Cdbnd O) (ca. 1750 cm-1) regions of the IR spectrum recorded for the polymer film covering the holographic strip. In cases where these simple tests fail, we have shown how an infrared microscope can be used to further differentiate genuine and forged banknotes by producing infrared maps of selected areas of the note contrasting inks with background paper.

Development of a diamond waveguide sensor for sensitive protein analysis using IR quantum cascade lasers

Science.gov (United States)

Piron, P.; Vargas Catalan, E.; Haas, J.; Österlund, L.; Nikolajeff, F.; Andersson, P. O.; Bergström, J.; Mizaikoff, B.; Karlsson, M.

2018-02-01

Microfabricated diamond waveguides, between 5 and 20 μm thick, manufactured by chemical vapor deposition of diamond, followed by standard lithographic techniques and inductively coupled plasma etching of diamond, are used as bio-chemical sensors in the mid infrared domain: 5-11 μm. Infrared light, emitted from a broadly tunable quantum cascade laser with a wavelength resolution smaller than 20 nm, is coupled through the diamond waveguides for attenuated total reflection spectroscopy. The expected advantages of these waveguides are a high sensitivity due to the high number of internal reflections along the propagation direction, a high transmittance in the mid-IR domain, the bio-compatibility of diamond and the possibility of functionalizing the surface layer. The sensor will be used for analyzing different forms of proteins such as α-synuclein which is relevant in understanding the mechanism behind Parkinson's disease. The fabrication process of the waveguide, its characteristics and several geometries are introduced. The optical setup of the biosensor is described and our first measurements on two analytes to demonstrate the principle of the sensing method will be presented. Future use of this sensor includes the functionalization of the diamond waveguide sensor surface to be able to fish out alpha-synuclein from cerebrospinal fluid.

Topological sensitivity based far-field detection of elastic inclusions

Directory of Open Access Journals (Sweden)

Tasawar Abbas

2018-03-01

Full Text Available The aim of this article is to present and rigorously analyze topological sensitivity based algorithms for detection of diametrically small inclusions in an isotropic homogeneous elastic formation using single and multiple measurements of the far-field scattering amplitudes. A L2-cost functional is considered and a location indicator is constructed from its topological derivative. The performance of the indicator is analyzed in terms of the topological sensitivity for location detection and stability with respect to measurement and medium noises. It is established that the location indicator does not guarantee inclusion detection and achieves only a low resolution when there is mode-conversion in an elastic formation. Accordingly, a weighted location indicator is designed to tackle the mode-conversion phenomenon. It is substantiated that the weighted function renders the location of an inclusion stably with resolution as per Rayleigh criterion. 2000 MSC: 35R30, 35L05, 74B05, 47A52, 65J20, Keywords: Inverse elastic scattering, Elasticity imaging, Topological derivative, Resolution analysis, Stability analysis

Differentiation between probiotic and wild-type Bacillus cereus isolates by antibiotic susceptibility test and Fourier transform infrared spectroscopy (FT-IR).

Science.gov (United States)

Mietke, Henriette; Beer, W; Schleif, Julia; Schabert, G; Reissbrodt, R

2010-05-30

Animal feed often contains probiotic Bacillus strains used as feed additives. Spores of the non-pathogenic B. cereus var. toyoi (product name Toyocerin) are used. Distinguishing between toxic wild-type Bacillus cereus strains and this probiotic strain is essential for evaluating the quality and risk of feed. Bacillus cereus CIP 5832 (product name Paciflor was used as probiotic strain until 2001. The properties of the two probiotic strains are quite similar. Differentiating between probiotic strains and wild-type B. cereus strains is not easy. ss-lactam antibiotics such as penicillin and cefamandole exhibit an inhibition zone in the agar diffusion test of probiotic B. cereus strains which are not seen for wild-type strains. Therefore, performing the agar diffusion test first may make sense before FT-IR testing. When randomly checking these strains by Fourier transform infrared spectroscopy (FT-IR), the probiotic B. cereus strains were separated from wild-type B. cereus/B. thuringiensis/B. mycoides/B. weihenstephanensis strains by means of hierarchical cluster analysis. The discriminatory information was contained in the spectral windows 3000-2800 cm(-1) ("fatty acid region"), 1200-900 cm(-1) ("carbohydrate region") and 900-700 cm(-1) ("fingerprint region"). It is concluded that FT-IR spectroscopy can be used for the rapid quality control and risk analysis of animal feed containing probiotic B. cereus strains. (c) 2010 Elsevier B.V. All rights reserved.

Dye-sensitized solar cells and complexes between pyridines and iodines

DEFF Research Database (Denmark)

Hansen, Poul Erik; Phuong, Nguyen Tuyet; Krake, Jacob

2012-01-01

Interactions between triiodide (I3–) and 4-tert-butylpyridine (4TBP) as postulated in dye-sensitized solar cells (DSC) are investigated by means of 13C NMR and IR spectroscopy supported by DFT calculations. The charge transfer (CT) complex 4TBP∙I2 and potential salts such as (4TBP)2I+, I3– were...... synthesized and characterized by IR and 13C NMR spectroscopy. However, mixing (butyl)4N+, I3– and 4TBP at concentrations comparable to those of the DSC solar cell did not lead to any reaction. Neither CT complexes nor cationic species like (4TBP)2I+ were observed, judging from the 13C NMR spectroscopic...

Characterization of Paracoccidioides brasiliensis by FT-IR spectroscopy and nanotechnology

Science.gov (United States)

Ferreira, Isabelle; Ferreira-Strixino, Juliana; Castilho, Maiara L.; Campos, Claudia B. L.; Tellez, Claudio; Raniero, Leandro

2016-01-01

Paracoccidioides brasiliensis, the etiological agent of paracoccidioidomycosis, is a dimorphic fungus existing as mycelia in the environment (or at 25 °C in vitro) and as yeast cells in the human host (or at 37 °C in vitro). Because mycological examination of lesions in patients frequently is unable to show the presence of the fungus and serological tests can misdiagnose the disease with other mycosis, the development of new approach's for molecular identification of P. brasiliensis spurges is needed. This study describes the use of a gold nanoprobe of a known gene sequence of P. brasiliensis as a molecular tool to identify P. brasiliensis by regular polymerase chain reaction (PCR) associated with a colorimetric methods. This approach is suitable for testing in remote areas because it does not require any further step than gene amplification, being safer and cheaper than electrophoresis methods. The proposed test showed a color change of the PCR reaction mixture from red to blue in negative samples, whereas the solution remains red in positive samples. We also performed a Fourier Transform Infrared (FT-IR) Spectroscopy analysis to characterize and compare the chemical composition between yeast and mycelia forms, which revealed biochemical differences between these two forms. The analysis of the spectra showed that differences were distributed in chemical bonds of proteins, lipids and carbohydrates. The most prominent difference between both forms was vibration modes related to 1,3-β-glucan usually found in mycelia and 1,3-α-glucan found in yeasts and also chitin forms. In this work, we introduce FT-IR as a new method suitable to reveal overall differences that biochemically distinguish each form of P. brasiliensis that could be additionally used to discriminate biochemical differences among a single form under distinct environmental conditions.

Conformational study of sarcosine as probed by matrix-isolation FT-IR spectroscopy and molecular orbital calculations

OpenAIRE

Gómez-Zavaglia, Andrea; Fausto, R.

2003-01-01

Sarcosine (N-methylglycine) has been studied by matrix-isolation FT-IR spectroscopy and molecular orbital calculations undertaken at the DFT/B3LYP and MP2 levels of theory with the 6-311++G(d, p) and 6-31++G(d, p) basis set, respectively. Eleven different conformers were located in the potential energy surface (PES) of sarcosine, with the ASC conformer being the ground conformational state. This form is analogous to the glycine most stable conformer and is characterized by a NH...O= intramole...

Highly sensitive high resolution Raman spectroscopy using resonant ionization methods

International Nuclear Information System (INIS)

Owyoung, A.; Esherick, P.

1984-05-01

In recent years, the introduction of stimulated Raman methods has offered orders of magnitude improvement in spectral resolving power for gas phase Raman studies. Nevertheless, the inherent weakness of the Raman process suggests the need for significantly more sensitive techniques in Raman spectroscopy. In this we describe a new approach to this problem. Our new technique, which we call ionization-detected stimulated Raman spectroscopy (IDSRS), combines high-resolution SRS with highly-sensitive resonant laser ionization to achieve an increase in sensitivity of over three orders of magnitude. The excitation/detection process involves three sequential steps: (1) population of a vibrationally excited state via stimulated Raman pumping; (2) selective ionization of the vibrationally excited molecule with a tunable uv source; and (3) collection of the ionized species at biased electrodes where they are detected as current in an external circuit

LRO Lyman Alpha Mapping Project (LAMP) Far-UV Investigations of Lunar Composition, Porosity, and Space Weathering

Science.gov (United States)

Retherford, K. D.; Greathouse, T. K.; Mandt, K. E.; Gladstone, R.; Hendrix, A.; Cahill, J. T.; Liu, Y.; Grava, C.; Hurley, D.; Egan, A.; Kaufmann, D. E.; Raut, U.; Byron, B. D.; Magana, L. O.; Stickle, A. M.; Wyrick, D. Y.; Pryor, W. R.

2017-12-01

Far ultraviolet reflectance measurements of the Moon, icy satellites, comets, and asteroids have proven surprisingly useful for advancing our understanding of planetary surfaces. This new appreciation for planetary far-UV imaging spectroscopy is provided in large part thanks to nearly a decade of investigations with the Lunar Reconnaissance Orbiter (LRO) Lyman Alpha Mapping Project (LAMP). LAMP has demonstrated an innovative nightside observing technique, putting a new light on permanently shadowed regions (PSRs) and other features on the Moon. Dayside far-UV albedo maps complement the nightside data, enabling comparisons of direct and hemispheric (diffuse) illumination derived albedos. We'll discuss the strengths of the far-UV reflectance imaging spectroscopy technique with respect to several new LAMP results. Detections of water frost and hydration signatures near 165 nm, for example, provide constraints on composition that complement infrared spectroscopy, visible imaging, neutron spectroscopy, radar, and other techniques. LRO's polar orbit and high data downlink capabilities enable searches for diurnal variations in spectral signals. At far-UV wavelengths a relatively blue spectral slope is diagnostic of space weathering, which is opposite of the spectral reddening indicator of maturity at wavelengths longward of 180 nm. By utilizing natural diffuse illumination sources on the nightside the far-UV technique is able to identify relative increases in porosity within the PSRs, and provides an additional tool for determining relative surface ages. On October 6, 2016 LAMP enacted a new, more sensitive dayside operating mode that expands its ability to search for diurnally varying hydration signals associated with different regions and features.

The Use and Evaluation of Scaffolding, Student Centered-Learning, Behaviorism, and Constructivism to Teach Nuclear Magnetic Resonance and IR Spectroscopy in a Two-Semester Organic Chemistry Course

Science.gov (United States)

Livengood, Kimberly; Lewallen, Denver W.; Leatherman, Jennifer; Maxwell, Janet L.

2012-01-01

Since 2002, infrared spectroscopy (IR) and nuclear magnetic resonance (NMR) spectrometry have been introduced at the beginning of the first-semester organic chemistry lab course at this university. Starting in 2008, each individual student was given 20 unique homework problems that consisted of multiple-choice [superscript 1]H NMR and IR problems…

The nature of hydrogen-bonding interactions in nonsteroidal anti-inflammatory drugs revealed by polarized IR spectroscopy

Science.gov (United States)

Hachuła, Barbara

2018-01-01

The influence of hydrogen-bonding interactions in the solid phase on the IR spectroscopic pattern of the νOsbnd H band of nonsteroidal anti-inflammatory drugs (NSAIDs) was studied experimentally by IR spectroscopy with the use of polarized light at two temperatures (293 K and 77 K) and in isotopic dilution. The neat and deuterated crystals of (S)-naproxen ((S)-NPX), (R)-flurbiprofen ((R)-FBP), (RS)-flurbiprofen ((RS)-FBP) and (RS)-ketoprofen ((RS)-KTP) were obtained by melt crystallization between the two squeezed CaF2 plates. The vibrational spectra of selected α-aryl propionic acid derivatives (2APAs) reflected the characteristics of their hydrogen-bond networks, i.e., 2APAs were characterized by the chain ((S)-NPX, (R)-FBP) and by dimeric ((RS)-FBP, (RS)-KTP) arrangement of hydrogen bonds in the crystal lattice. Spectroscopic results showed that the interchain (through-space) exciton coupling, between two laterally-spaced hydrogen bonds, dominates in the crystals of four NSAIDs. The same exciton coupled hydrogen bonds were also responsible for the H/D isotopic recognition mechanism in the crystalline spectra of deuterated 2APAs. The presented spectral results may help to predict the hydrogen bond motifs in the crystalline NSAIDs, which structures are not yet known, based on their IR spectra of hydrogen bond in the crystals.

Characterization of silicon-oxide interfaces and organic monolayers by IR-UV ellipsometry and FTIR spectroscopy

Science.gov (United States)

Hess, P.; Patzner, P.; Osipov, A. V.; Hu, Z. G.; Lingenfelser, D.; Prunici, P.; Schmohl, A.

2006-08-01

VUV-laser-induced oxidation of Si(111)-(1×1):H, Si(100):H, and a-Si:H at 157 nm (F II laser) in pure O II and pure H IIO atmospheres was studied between 30°C and 250°C. The oxidation process was monitored in real time by spectroscopic ellipsometry (NIR-UV) and FTIR spectroscopy. The ellipsometric measurements could be simulated with a three-layer model, providing detailed information on the variation of the suboxide interface with the nature of the silicon substrate surface. Besides the silicon-dioxide and suboxide layer, a dense, disordered, roughly monolayer thick silicon layer was included, as found previously by molecular dynamics calculations. The deviations from the classical Deal-Grove mechanism and the self-limited growth of the ultrathin dioxide layers (TMS) groups and n-alkylthiol monolayers on gold-coated silicon. The C-H stretching vibrations of the methylene and methyl groups could be identified by FTIR spectroscopy and IR ellipsometry.

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

Science.gov (United States)

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

Terahertz time-domain spectroscopy response of amines and amino acids intercalated smectites in far-infrared region

Energy Technology Data Exchange (ETDEWEB)

Janek, M., E-mail: marian.janek@fns.uniba.sk [Comenius University, Faculty of Natural Sciences, Department of Physical and Theoretical Chemistry, Mlynská dolina CH1, SK-84215 Bratislava (Slovakia); Zich, D. [Comenius University, Faculty of Natural Sciences, Department of Physical and Theoretical Chemistry, Mlynská dolina CH1, SK-84215 Bratislava (Slovakia); Naftaly, M., E-mail: mira.naftaly@npl.co.uk [National Physical Laboratory, Hampton Rd, Teddington, Middlesex TW11 0LW (United Kingdom)

2014-06-01

Layered clay minerals from the smectite group with different chemical composition and resulting layer charge (e.g. pyrophyllite, illite, hectorite and montmorillonite) were characterised for their dielectric properties in the far-infrared region using terahertz-time domain spectroscopy (THz-TDS). Samples with distinct cation exchange capacity such as hectorite and montmorillonite were modified using cation exchange reaction with alkylamines or amino acids. The presence of these species in 2D gallery was proved by X-ray diffraction and Fourier transform infrared spectroscopy. The frequency-dependent refractive index of these minerals was determined in the experimentally accessible range of 0.1–3.0 THz (3–100 cm{sup −1}) using THz-TDS. Pristine samples revealed their refractive indices to be 1.82–2.15 at about 1 THz while the modified montmorillonite samples had their refractive indices changed by organic molecules used for their modification to 1.70–2.35 for amines and 1.97–2.36 for amino acids. The presence of organic substances in 2D gallery of clays was detectable despite the relatively high absorption of smectites with magnitude of 100 cm{sup −1}. - Graphical abstract: Display Omitted - Highlights: • “Guest” molecules in “host” layered material were investigated. • Amines and amino-acids were selected as guest molecules. • Natural and synthetic host with smectite phyllosilicate structure were used. • Dielectric properties were investigated by terahertz time domain spectroscopy. • Resonance absorption peaks of guest were detected in far infrared region.

Surface enhanced imaging and IR spectroscopy of the biological cells on the nanostructured gold film

Directory of Open Access Journals (Sweden)

G.I. Dovbeshko

2017-07-01

Full Text Available New approach for optical imaging, structural study and cell cultivation based on the effect of the enhancement of optical signals from biomolecules and biological cells near nanostructured rough gold surface is proposed. The surface enhanced IR absorption (SEIRA spectroscopy and confocal microscopy experiments were made using the culture of SPEV (porcine embryonic kidney epithelium transplantable line and fibroblast cells, cultivated and/or adsorbed on the gold substrate. The SEIRA spectra registered from monolayer of the SPEV cells cultivated on the rough gold showed a low frequency shift of about 2 to 7 cm 1 for the most characteristic IR vibrations, compared with those adsorbed from suspension on the same substrate. An enhancement factor of 15…30 was obtained for different molecular vibrations. The confocal microscopy contrast images of the SPEV cells on rough gold substrate were obtained in laser fluorescence mode. This approach opens new possibilities for visualization of the living cells in vivo without staining. The fluorescence of the rough gold surfaces and effects responsible for our findings have been discussed.

Application of fourier-transform infrared (ft-ir) spectroscopy for determination of total phenolics of freeze dried lemon juices

International Nuclear Information System (INIS)

Sherazi, S.T.H.; Bhutto, A.A.; Mehesar, S.A.

2017-01-01

A cost effective and environmentally safe analytical method for rapid assessment of total phenolic content (TPC) in freeze dried lemon juice samples was developed using transmission Fourier-transform infrared spectroscopy (FT-IR) in conjunction with chemometric techniques. Two types of calibrations i.e. simple Beer's law and partial least square (PLS) were applied to investigate most accurate calibration model based on region from1420 to 1330 cm-1. The better analytical performance was obtained by PLS technique coefficient of determination (R2), root mean square error of calibration (RMSEC) with the value of 0.999 and 0.00864, respectively. The results of TPC in freeze dried lemon juice samples obtained by transmission FT-IR were compared with TPC observed by Folin-Ciocalteu (FC) assay and found to be comparable. Outcomes of the present study indicate that transmission FT-IR spectroscopic approach could be used as an alternative approach in place of Folin-Ciocalteu (FC) assay which is expensive and time-consuming conventional chemical methods for determination of the total phenolic content of lemon fruits. (author)

Biochemical Monitoring of Spinal Cord Injury by FT-IR Spectroscopy--Effects of Therapeutic Alginate Implant in Rat Models.

Directory of Open Access Journals (Sweden)

Sandra Tamosaityte

Full Text Available Spinal cord injury (SCI induces complex biochemical changes, which result in inhibition of nervous tissue regeneration abilities. In this study, Fourier-transform infrared (FT-IR spectroscopy was applied to assess the outcomes of implants made of a novel type of non-functionalized soft calcium alginate hydrogel in a rat model of spinal cord hemisection (n = 28. Using FT-IR spectroscopic imaging, we evaluated the stability of the implants and the effects on morphology and biochemistry of the injured tissue one and six months after injury. A semi-quantitative evaluation of the distribution of lipids and collagen showed that alginate significantly reduced injury-induced demyelination of the contralateral white matter and fibrotic scarring in the chronic state after SCI. The spectral information enabled to detect and localize the alginate hydrogel at the lesion site and proved its long-term persistence in vivo. These findings demonstrate a positive impact of alginate hydrogel on recovery after SCI and prove FT-IR spectroscopic imaging as alternative method to evaluate and optimize future SCI repair strategies.

An X-ray photoelectron spectroscopy study of the products of the interaction of gaseous IrF6 with fine UO2F2

Directory of Open Access Journals (Sweden)

Prusakov Vladimir N.

2007-01-01

Full Text Available Nuclear fuel reprocessing by fluorination, a dry method of regeneration of spent nuclear fuel, uses UO2F2 for the separation of plutonium from gaseous mixtures. Since plutonium requires special treatment, IrF6 was used as a thermodynamic model of PuF6. The model reaction of the interaction of gaseous IrF6 with fine UO2F2 in the sorption column revealed a change of color of the sorption column contents from pale-yellow to gray and black, indicating the formation of products of such an interaction. The X-ray photoelectron spectroscopy study showed that the interaction of gaseous IrF6 with fine UO2F2 at 125 °C results in the formation of stable iridium compounds where the iridium oxidation state is close to Ir3+. The dependence of the elemental compositions of the layers in the sorption column on the penetration depth of IrF6 was established.

High resolution far-infrared observations of the evolved H II region M16

International Nuclear Information System (INIS)

McBreen, B.; Fazio, G.G.; Jaffe, D.T.

1982-01-01

M16 is an evolved, extremely density bounded H II region, which now consists only of a series of ionization fronts at molecular cloud boundaries. The source of ionization is the OB star cluster (NGC 6611) which is about 5 x 10 6 years old. We used the CFA/UA 102 cm balloon-borne telescope to map this region and detected three far-infrared (far-IR) sources embedded in an extended ridge of emission. Source I is an unresolved far-IR source embedded in a molecular cloud near a sharp ionization front. An H 2 O maser is associated with this source, but no radio continuum emission has been observed. The other two far-IR sources (II and III) are associated with ionized gas-molecular cloud interfaces, with the far-IR radiation arising from dust at the boundary heated by the OB cluster. Source II is located at the southern prominent neutral intrusion with its associated bright rims and dark ''elephant trunk'' globules that delineate the current progress of the ionization front into the neutral material, and Source III arises at the interface of the northern molecular cloud fragment

Applications of FT-IR spectrophotometry in cancer diagnostics.

Science.gov (United States)

Bunaciu, Andrei A; Hoang, Vu Dang; Aboul-Enein, Hassan Y

2015-01-01

This review provides a brief background to the application of infrared spectroscopy, including Fourier transform-infrared spectroscopy, in biological fluids. It is not meant to be complete or exhaustive but to provide the reader with sufficient background for selected applications in cancer diagnostics. Fourier transform-infrared spectroscopy (FT-IR) is a fast and nondestructive analytical method. The infrared spectrum of a mixture serves as the basis to quantitate its constituents, and a number of common clinical chemistry tests have proven to be feasible using this approach. This review focuses on biomedical FT-IR applications, published in the period 2009-2013, used for early detection of cancer through qualitative and quantitative analysis.

Inhibition of PTP1B Restores IRS1-Mediated Hepatic Insulin Signaling in IRS2-Deficient Mice

Science.gov (United States)

González-Rodríguez, Águeda; Gutierrez, Jose A. Mas; Sanz-González, Silvia; Ros, Manuel; Burks, Deborah J.; Valverde, Ángela M.

2010-01-01

OBJECTIVE Mice with complete deletion of insulin receptor substrate 2 (IRS2) develop hyperglycemia, impaired hepatic insulin signaling, and elevated gluconeogenesis, whereas mice deficient for protein tyrosine phosphatase (PTP)1B display an opposing hepatic phenotype characterized by increased sensitivity to insulin. To define the relationship between these two signaling pathways in the regulation of liver metabolism, we used genetic and pharmacological approaches to study the effects of inhibiting PTP1B on hepatic insulin signaling and expression of gluconeogenic enzymes in IRS2−/− mice. RESEARCH DESIGN AND METHODS We analyzed glucose homeostasis and insulin signaling in liver and isolated hepatocytes from IRS2−/− and IRS2−/−/PTP1B−/− mice. Additionally, hepatic insulin signaling was assessed in control and IRS2−/− mice treated with resveratrol, an antioxidant present in red wine. RESULTS In livers of hyperglycemic IRS2−/− mice, the expression levels of PTP1B and its association with the insulin receptor (IR) were increased. The absence of PTP1B in the double-mutant mice restored hepatic IRS1-mediated phosphatidylinositol (PI) 3-kinase/Akt/Foxo1 signaling. Moreover, resveratrol treatment of hyperglycemic IRS2−/− mice decreased hepatic PTP1B mRNA and inhibited PTP1B activity, thereby restoring IRS1-mediated PI 3-kinase/Akt/Foxo1 signaling and peripheral insulin sensitivity. CONCLUSIONS By regulating the phosphorylation state of IR, PTB1B determines sensitivity to insulin in liver and exerts a unique role in the interplay between IRS1 and IRS2 in the modulation of hepatic insulin action. PMID:20028942

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

KAUST Repository

Alquaity, Awad; Es-sebbar, Et-touhami; Farooq, Aamir

2015-01-01

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

SAFARI : A Far Infrared Imaging FTS-Spectrometer for SPICA

NARCIS (Netherlands)

Goicoechea, J. R.; Roelfsema, P. R.; Jellema, W.; Swinyard, B. M.

The far-IR spectral window plays host to a critical range of both spectroscopic and photometric diagnostics with which to study our Galaxy and beyond, at wavelengths completely blocked by the Earth’s atmosphere. The proposed Japanese-led IR space telescope SPICA, with its cryogenically cooled ~3.2m

BOOTES-IR: near IR follow-up GRB observations by a robotic system

International Nuclear Information System (INIS)

Castro-Tirado, A.J.; Postrigo, A. de Ugarte; Jelinek, M.

2005-01-01

BOOTES-IR is the extension of the BOOTES experiment, which operates in Southern Spain since 1998, to the near IR (NIR). The goal is to follow up the early stage of the gamma ray burst (GRB) afterglow emission in the NIR, alike BOOTES does already at optical wavelengths. The scientific case that drives the BOOTES-IR performance is the study of GRBs with the support of spacecraft like INTEGRAL, SWIFT and GLAST. Given that the afterglow emission in both, the NIR and the optical, in the instances immediately following a GRB, is extremely bright (reached V = 8.9 in one case), it should be possible to detect this prompt emission at NIR wavelengths too. The combined observations by BOOTES-IR and BOOTES-1 and BOOTES-2 will allow for real time identification of trustworthy candidates to have a high redshift (z > 5). It is expected that, few minutes after a GRB, the IR magnitudes be H ∼ 7-10, hence very high quality spectra can be obtained for objects as far as z = 10 by larger instruments

Far infrared photoconductors

International Nuclear Information System (INIS)

Leotin, J.; Meny, C.

1990-01-01

This paper presents the development of far infrared photoconductors for the focal plane of a spaceborne instrument named SAFIRE. SAFIRE (Spectroscopy of the Atmosphere using Far-Infrared Emission) belongs to the EOS program (Earth Observing System) and is now in the definition phase. It is a joint effort by scientists from the United States, Great Britain, Italy and France for a new generation of atmosphere sensor. The overall goal of the SAFIRE experiment is to improve the understanding of the ozone distribution in the middle atmosphere by conducting global scale measurements of the important chemical, radiative and dynamical processes which influence its changes. This will be accomplished by the measurement of the far infrared thermal limb emission in seven spectral channels covering the range 80 to 400 cm -1 with a maximum resolution of 0.004 cm -1 . For example key gases like OH, O, HO 2 , N 2 O 5 will be probed for the first time. Achievement of the required detector sensitivity in the far-infrared imposes the choice of photoconductive detectors operating at liquid helium temperatures. Germanium doped with gallium is selected for six channels whereas germanium doped with beryllium is suitable for the N 2 O 5 channel. Both photoconductors Ge:Ga and Ge:Be benefit from a well established material technology. A better wavelength coverage of channel 1 is achieved by applying a small uniaxial stress of the order of 0.1 GPa on the Ge:Ga photoconductors. The channel 6B wavelength coverage could be improved by using zinc-doped-germanium (Ge:Zn) or, much better, by using a Blocked Impurity band silicon detector doped with antimony (BIB Si:Sb). The later is developed as an optional basis

Pressure-modulation dynamic attenuated-total-reflectance (ATR) FT-IR spectroscopy

Science.gov (United States)

Marcott, C.; Story, G. M.; Noda, I.; Bibby, A.; Manning, C. J.

1998-06-01

A single-reflectance attenuated-total-reflectance (ATR) accessory with a diamond internal-reflection element was modified by the addition of a piezoelectric transducer. Initial dynamic pressure-modulation experiments have been performed in the sample compartment of a step-scanning FT-IR spectrometer. A sinusoidal pressure modulation applied to samples of isotactic polypropylene and linear low density polyethylene resulted in dynamic responses which appear to be similar to those observed in previous dynamic 2D IR experiments. Preliminary pressure-modulation dynamic ATR results are also reported for a styrene-butadiene-styrene triblock copolymer. The new method has the advantages that a much wider variety of sample types and geometries can be studied and less sample preparation is required. Dynamic 2D IR experiments carried out by ATR no longer require thin films of large area and sufficient strength to withstand the dynamic strain applied by a rheometer. The ability to obtain dynamic IR spectroscopic information from a wider variety of sample types and thicknesses would greatly expand the amount of useful information that could be extracted from normally complicated, highly overlapped IR spectra.

THE STUDY OF CLINOPTILOLITE MODIFIED WITH3d METALS HALIDES BY IR AND DIFFUSE REFLECTANCE SPECTROSCOPY

Directory of Open Access Journals (Sweden)

T. L. Rakitskaya

2015-11-01

Full Text Available The results of investigation of natural clinoptilolite (N-CLI and that modified with 3d metal halides (MeCl2/N-CLI, where Me are Cu, Co, and Mn by IR and diffuse reflectance spectroscopy are summarized. A band at 3437 cm-1 assigned to stretching vibrations of hydroxyl groups (nOH is found in the IR spectrum of the N-CLI sample. A location of the band was practically the same as for all above MeCl2/N-CLI samples. A band of middle intensity at 1638 cm-1 in the range of deformation vibrations of zeolite water observed in the IR spectrum of N-CLI slightly displays to lower frequencies in the case of the modified samples. An intensive wide band of a complex shape in the range from 1250 to 980 cm-1 assigned to Si–O–Si and Si–O–Al vibrations appears in IR spectra of all samples. A doublet band of middle intensity at 797 and 778 cm-1 is assigned to external symmetric stretching T-O vibrations and a band at 606 cm-1-to vibrations of a double ring. A location of the above bands is the same for all listed samples but their intensity is higher for MnCl2/N-CLI and CoCl2/N-CLI samples. After the reaction with ozone, significant changes in the IR spectra are observed only for MnCl2/N-CLI. They are due to MnO2 formation on the clinoptilolite surface resulting in a high frequency displacement of some bands. Based on UV-vi spectroscopy results, it is reasonable to make conclusions about the coordination and valence state of a central atom in the MeCl2/N-CLI samples under study. A location of charge transfer bands for these samples only slightly differs from that for N-CLI however the intensity of such bands increases for the MeCl2/N-CLI samples. The UV-vis spectrum of MnCl2/N-CLI changes after the reaction with ozone: the appearance of new bands of  charge transfer at 363 and 354 nm and also the two-fold increase in intensity of a charge transfer band at 272 nm in comparison with those of N-CLI and MnCl2/N-CLI are the evidence of change in both the

Infrared spectroscopy and microscopy in cancer research and diagnosis

Science.gov (United States)

Bellisola, Giuseppe; Sorio, Claudio

2012-01-01

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

HHT diagnosis by Mid-infrared spectroscopy and artificial neural network analysis.

Science.gov (United States)

Lux, Andreas; Müller, Ralf; Tulk, Mark; Olivieri, Carla; Zarrabeita, Roberto; Salonikios, Theresia; Wirnitzer, Bernhard

2013-06-27

The vascular disorder Hereditary Hemorrhagic Telangiectasia (HHT) is in general an inherited disease caused by mutations in the TGF-β/BMP receptors endoglin or ALK1 or in rare cases by mutations of the TGF-β signal transducer protein Smad4 leading to the combined syndrome of juvenile polyposis and HHT. HHT is characterized by several clinical symptoms like spontaneous and recurrent epistaxis, multiple telangiectases at sites like lips, oral cavity, fingers, nose, and visceral lesions like gastrointestinal telangiectasia, pulmonary, hepatic, cerebral or spinal arteriovenous malformations. The disease shows an inter- and intra-family variability in penetrance as well as symptoms from mild to life threatening. Penetrance is also depending on age. Diagnosis of the disease is based on the presence of some of the listed symptoms or by genetic testing. HHT diagnosis is laborious, time consuming, costly and sometimes uncertain. Not all typical symptoms may be present, especially at a younger age, and genetic testing does not always identify the disease causing mutation. Infrared (IR) spectroscopy was investigated as a potential alternative to the current diagnostic methods. IR-spectra were obtained by Fourier-transform Mid-IR spectroscopy from blood plasma from HHT patients and a healthy control group. Spectral data were mathematically processed and subsequently classified and analysed by artificial neural network (ANN) analyses and by visual analysis of scatter plots of the dominant principal components. The analyses showed that for HHT a disease specific IR-spectrum exists that is significantly different from the control group. Furthermore, at the current stage with the here used methods, HHT can be diagnosed by Mid-IR-spectroscopy in combination with ANN analysis with a sensitivity and specificity of at least 95%. Visual analysis of PCA scatter plots revealed an inter class variation of the HHT group. IR-spectroscopy in combination with ANN analysis can be considered

Raman spectroscopy differentiates between sensitive and resistant multiple myeloma cell lines

Science.gov (United States)

Franco, Domenico; Trusso, Sebastiano; Fazio, Enza; Allegra, Alessandro; Musolino, Caterina; Speciale, Antonio; Cimino, Francesco; Saija, Antonella; Neri, Fortunato; Nicolò, Marco S.; Guglielmino, Salvatore P. P.

2017-12-01

Current methods for identifying neoplastic cells and discerning them from their normal counterparts are often nonspecific and biologically perturbing. Here, we show that single-cell micro-Raman spectroscopy can be used to discriminate between resistant and sensitive multiple myeloma cell lines based on their highly reproducible biomolecular spectral signatures. In order to demonstrate robustness of the proposed approach, we used two different cell lines of multiple myeloma, namely MM.1S and U266B1, and their counterparts MM.1R and U266/BTZ-R subtypes, resistant to dexamethasone and bortezomib, respectively. Then, micro-Raman spectroscopy provides an easily accurate and noninvasive method for cancer detection for both research and clinical environments. Characteristic peaks, mostly due to different DNA/RNA ratio, nucleic acids, lipids and protein concentrations, allow for discerning the sensitive and resistant subtypes. We also explored principal component analysis (PCA) for resistant cell identification and classification. Sensitive and resistant cells form distinct clusters that can be defined using just two principal components. The identification of drug-resistant cells by confocal micro-Raman spectroscopy is thus proposed as a clinical tool to assess the development of resistance to glucocorticoids and proteasome inhibitors in myeloma cells.

Vibrational spectroscopy

Science.gov (United States)

Umesh P. Agarwal; Rajai Atalla

2010-01-01

Vibrational spectroscopy is an important tool in modern chemistry. In the past two decades, thanks to significant improvements in instrumentation and the development of new interpretive tools, it has become increasingly important for studies of lignin. This chapter presents the three important instrumental methods-Raman spectroscopy, infrared (IR) spectroscopy, and...

Rapid authentication and identification of different types of A. roxburghii by Tri-step FT-IR spectroscopy

Science.gov (United States)

Chen, Ying; Huang, Jinfang; Yeap, Zhao Qin; Zhang, Xue; Wu, Shuisheng; Ng, Chiew Hoong; Yam, Mun Fei

2018-06-01

Anoectochilus roxburghii (Wall.) Lindl. (Orchidaceae) is a precious traditional Chinese medicinal herb and has been perennially used to treat various illness. However, there were unethical sellers who adulterated wild A. roxburghii with tissue cultured and cultivated ones. Therefore, there is an urgent need for an effective authentication method to differentiate between these different types of A. roxburghii. In this research, the infrared spectroscopic tri-step identification approach including Fourier transform infrared spectroscopy (FT-IR), Second derivative infrared spectra (SD-IR) and two-dimensional correlation infrared spectra (2D-IR) was used to develop a simple and rapid method to discriminate between wild, cultivated and tissue cultivated A. roxburghii plant. Through this study, all three types of A. roxburghii plant were successfully identified and discriminated through the infrared spectroscopic tri-step identification method. Besides that, all the samples of wild, cultivated and tissue cultivated A. roxburghii plant were analysed with the Soft Independent Modelling of Class Analogy (SIMCA) pattern recognition technique to test and verify the experimental results. The results showed that the three types of A. roxburghii can be discriminated clearly as the recognition rate was 100% for all three types and the rejection rate was more than 60%. 70% of the validated samples were also identified correctly by the SIMCA model. The SIMCA model was also validated by comparing 70 standard herbs to the model. As a result, it was demonstrated that the macroscopic IR fingerprint method and the classification analysis could discriminate not only between the A. roxburghi samples and the standard herbs, it could also distinguish between the three different types of A. roxburghi plant in a direct, rapid and holistic manner.

Investigation of the Cross-Section Stratifications of Icons Using Micro-Raman and Micro-Fourier Transform Infrared (FT-IR) Spectroscopy.

Science.gov (United States)

Lazidou, Dimitra; Lampakis, Dimitrios; Karapanagiotis, Ioannis; Panayiotou, Costas

2018-01-01

The cross-section stratifications of samples, which were removed from six icons, are studied using optical microscopy, micro-Raman spectroscopy, and micro-Fourier transform infrared (FT-IR) spectroscopy. The icons, dated from the 14th to 19th centuries, are prominent examples of Byzantine painting art and are attributed to different artistic workshops of ​​northern Greece. The following materials are identified in the cross-sections of the icon samples using micro-Raman spectroscopy: anhydrite; calcite; carbon black; chrome yellow; cinnabar; gypsum; lead white; minium; orpiment; Prussian blue; red ochre; yellow ochre; and a paint of organic origin which can be either indigo ( Indigofera tinctoria L. and others) or woad ( Isatis tinctoria L.). The same samples are investigated using micro-FT-IR which leads to the following identifications: calcite; calcium oxalates; chrome yellow; gypsum; kaolinite; lead carboxylates; lead sulfate (or quartz); lead white; oil; protein; Prussian blue; saponified oil; shellac; silica; and tree resin. The study of the cross-sections of the icon samples reveals the combinations of the aforementioned inorganic and organic materials. Although the icons span over a long period of six centuries, the same stratification comprising gypsum ground layer, paint layers prepared by modified "egg tempera" techniques (proteinaceous materials mixed with oil and resins), and varnish layer is revealed in the investigated samples. Moreover, the presence of three layers of varnishes, one at the top and other two as intermediate layers, in the cross-section analysis of a sample from Virgin and Child provide evidence of later interventions.

Communication: IR spectroscopy of neutral transition metal clusters through thermionic emission

NARCIS (Netherlands)

Lapoutre, V. J. F.; Haertelt, M.; Meijer, G.; Fielicke, A.; Bakker, J. M.

2013-01-01

The resonant multiple photon excitation of neutral niobium clusters using tunable infrared (IR) radiation leads to thermionic emission. By measuring the mass-resolved ionization yield as a function of IR wavenumber species selective IR spectra are obtained for Nb-n (n = 5-20) over the 200-350 cm(-1)

HOMA1-IR and HOMA2-IR indexes in identifying insulin resistance and metabolic syndrome: Brazilian Metabolic Syndrome Study (BRAMS).

Science.gov (United States)

Geloneze, Bruno; Vasques, Ana Carolina Junqueira; Stabe, Christiane França Camargo; Pareja, José Carlos; Rosado, Lina Enriqueta Frandsen Paez de Lima; Queiroz, Elaine Cristina de; Tambascia, Marcos Antonio

2009-03-01

To investigate cut-off values for HOMA1-IR and HOMA2-IR to identify insulin resistance (IR) and metabolic syndrome (MS), and to assess the association of the indexes with components of the MS. Nondiabetic subjects from the Brazilian Metabolic Syndrome Study were studied (n = 1,203, 18 to 78 years). The cut-off values for IR were determined from the 90th percentile in the healthy group (n = 297) and, for MS, a ROC curve was generated for the total sample. In the healthy group, HOMA-IR indexes were associated with central obesity, triglycerides and total cholesterol (p 2.7 and HOMA2-IR > 1.8; and, for MS were: HOMA1-IR > 2.3 (sensitivity: 76.8%; specificity: 66.7%) and HOMA2-IR > 1.4 (sensitivity: 79.2%; specificity: 61.2%). The cut-off values identified for HOMA1-IR and HOMA2-IR indexes have a clinical and epidemiological application for identifying IR and MS in Westernized admixtured multi-ethnic populations.

Classification of edible oils and modeling of their physico-chemical properties by chemometric methods using mid-IR spectroscopy

Science.gov (United States)

Luna, Aderval S.; da Silva, Arnaldo P.; Ferré, Joan; Boqué, Ricard

This research work describes two studies for the classification and characterization of edible oils and its quality parameters through Fourier transform mid infrared spectroscopy (FT-mid-IR) together with chemometric methods. The discrimination of canola, sunflower, corn and soybean oils was investigated using SVM-DA, SIMCA and PLS-DA. Using FT-mid-IR, DPLS was able to classify 100% of the samples from the validation set, but SIMCA and SVM-DA were not. The quality parameters: refraction index and relative density of edible oils were obtained from reference methods. Prediction models for FT-mid-IR spectra were calculated for these quality parameters using partial least squares (PLS) and support vector machines (SVM). Several preprocessing alternatives (first derivative, multiplicative scatter correction, mean centering, and standard normal variate) were investigated. The best result for the refraction index was achieved with SVM as well as for the relative density except when the preprocessing combination of mean centering and first derivative was used. For both of quality parameters, the best results obtained for the figures of merit expressed by the root mean square error of cross validation (RMSECV) and prediction (RMSEP) were equal to 0.0001.

Astronomy in Denver: Spatial distributions of dust properties via far-IR broadband map with HerPlaNS

Science.gov (United States)

Asano, Kentaro; Ueta, Toshiya; Ladjal, Djazia; Exter, Katrina; Otsuka, Masaaki; HerPlaNS Consortium

2018-06-01

We present the results of our analyses on dust properties in all of Galactic planetary nebulae based on 5-band broadband images in the far-IR taken with the Herschel Space Observatory.By fitting surface brightness distributions of dust thermal emission at 70, 160, 250, 350 and 500 microns with a single-temperature modified black body function, we derive spatially resolved maps of the dust emissivity power-law index (beta) and dust temperature (Td), as well as the column density.We find that circumstellar dust grains in PNe occupy a specific region in the beta-Td space, which is distinct from that occupied by dust grains in the Interstellar Matter (ISM) and star forming regions (SFRs). Unlike those in the ISM and SFRs, dust grains in PNe exhibit little variation in beta while a large spread in Td, suggesting rather homogeneous dust properties.This work is part of the Herschel Planetary Nebula Survey Plus (HerPlaNS+) supported by the NASA Astrophysics Data Analysis Program.

Spectroscopy, Kinetics, and Dynamics of Combustion Radicals

Energy Technology Data Exchange (ETDEWEB)

Nesbitt, David J. [Research/Professor

2013-08-06

Spectroscopy, kinetics and dynamics of jet cooled hydrocarbon transients relevant to the DOE combustion mission have been explored, exploiting i) high resolution IR lasers, ii) slit discharge sources for formation of jet cooled radicals, and iii) high sensitivity detection with direct laser absorption methods and near the quantum shot noise limit. What makes this combination powerful is that such transients can be made under high concentrations and pressures characteristic of actual combustion conditions, and yet with the resulting species rapidly cooled (T ≈10-15K) in the slit supersonic expansion. Combined with the power of IR laser absorption methods, this provides novel access to spectral detection and study of many critical combustion species.

Attenuated Total Reflection Fourier Transform Infrared (ATR FT-IR) Spectroscopy as an Analytical Method to Investigate the Secondary Structure of a Model Protein Embedded in Solid Lipid Matrices.

Science.gov (United States)

Zeeshan, Farrukh; Tabbassum, Misbah; Jorgensen, Lene; Medlicott, Natalie J

2018-02-01

Protein drugs may encounter conformational perturbations during the formulation processing of lipid-based solid dosage forms. In aqueous protein solutions, attenuated total reflection Fourier transform infrared (ATR FT-IR) spectroscopy can investigate these conformational changes following the subtraction of spectral interference of solvent with protein amide I bands. However, in solid dosage forms, the possible spectral contribution of lipid carriers to protein amide I band may be an obstacle to determine conformational alterations. The objective of this study was to develop an ATR FT-IR spectroscopic method for the analysis of protein secondary structure embedded in solid lipid matrices. Bovine serum albumin (BSA) was chosen as a model protein, while Precirol AT05 (glycerol palmitostearate, melting point 58 ℃) was employed as the model lipid matrix. Bovine serum albumin was incorporated into lipid using physical mixing, melting and mixing, or wet granulation mixing methods. Attenuated total reflection FT-IR spectroscopy and size exclusion chromatography (SEC) were performed for the analysis of BSA secondary structure and its dissolution in aqueous media, respectively. The results showed significant interference of Precirol ATO5 with BSA amide I band which was subtracted up to 90% w/w lipid content to analyze BSA secondary structure. In addition, ATR FT-IR spectroscopy also detected thermally denatured BSA solid alone and in the presence of lipid matrix indicating its suitability for the detection of denatured protein solids in lipid matrices. Despite being in the solid state, conformational changes occurred to BSA upon incorporation into solid lipid matrices. However, the extent of these conformational alterations was found to be dependent on the mixing method employed as indicated by area overlap calculations. For instance, the melting and mixing method imparted negligible effect on BSA secondary structure, whereas the wet granulation mixing method promoted

Solution Structures of Highly Active Molecular Ir Water-Oxidation Catalysts from Density Functional Theory Combined with High-Energy X-ray Scattering and EXAFS Spectroscopy.

Science.gov (United States)

Yang, Ke R; Matula, Adam J; Kwon, Gihan; Hong, Jiyun; Sheehan, Stafford W; Thomsen, Julianne M; Brudvig, Gary W; Crabtree, Robert H; Tiede, David M; Chen, Lin X; Batista, Victor S

2016-05-04

The solution structures of highly active Ir water-oxidation catalysts are elucidated by combining density functional theory, high-energy X-ray scattering (HEXS), and extended X-ray absorption fine structure (EXAFS) spectroscopy. We find that the catalysts are Ir dimers with mono-μ-O cores and terminal anionic ligands, generated in situ through partial oxidation of a common catalyst precursor. The proposed structures are supported by (1)H and (17)O NMR, EPR, resonance Raman and UV-vis spectra, electrophoresis, etc. Our findings are particularly valuable to understand the mechanism of water oxidation by highly reactive Ir catalysts. Importantly, our DFT-EXAFS-HEXS methodology provides a new in situ technique for characterization of active species in catalytic systems.

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

Science.gov (United States)

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

2011-04-01

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

A High Sensitivity Preamplifier for Quartz Tuning Forks in QEPAS (Quartz Enhanced PhotoAcoustic Spectroscopy Applications

Directory of Open Access Journals (Sweden)

Tomasz Starecki

2017-11-01

Full Text Available All the preamplifiers dedicated for Quartz Enhanced PhotoAcoustic Spectroscopy (QEPAS applications that have so far been reported in the literature have been based on operational amplifiers working in transimpedance configurations. Taking into consideration that QEPAS sensors are based on quartz tuning forks, and that quartz has a relatively high voltage constant and relatively low charge constant, it seems that a transimpedance amplifier is not an optimal solution. This paper describes the design of a quartz QEPAS sensor preamplifier, implemented with voltage amplifier configuration. Discussion of an electrical model of the circuit and preliminary measurements are presented. Both theoretical analysis and experiments show that use of the voltage configuration allows for a substantial increase of the output signal in comparison to the transimpedance circuit with the same tuning fork working in identical conditions. Assuming that the sensitivity of the QEPAS technique depends directly on the properties of the preamplifier, use of the voltage amplifier configuration should result in an increase of QEPAS sensitivity by one to two orders of magnitude.

A High Sensitivity Preamplifier for Quartz Tuning Forks in QEPAS (Quartz Enhanced PhotoAcoustic Spectroscopy) Applications.

Science.gov (United States)

Starecki, Tomasz; Wieczorek, Piotr Z

2017-11-03

All the preamplifiers dedicated for Quartz Enhanced PhotoAcoustic Spectroscopy (QEPAS) applications that have so far been reported in the literature have been based on operational amplifiers working in transimpedance configurations. Taking into consideration that QEPAS sensors are based on quartz tuning forks, and that quartz has a relatively high voltage constant and relatively low charge constant, it seems that a transimpedance amplifier is not an optimal solution. This paper describes the design of a quartz QEPAS sensor preamplifier, implemented with voltage amplifier configuration. Discussion of an electrical model of the circuit and preliminary measurements are presented. Both theoretical analysis and experiments show that use of the voltage configuration allows for a substantial increase of the output signal in comparison to the transimpedance circuit with the same tuning fork working in identical conditions. Assuming that the sensitivity of the QEPAS technique depends directly on the properties of the preamplifier, use of the voltage amplifier configuration should result in an increase of QEPAS sensitivity by one to two orders of magnitude.

Infrared Spectroscopy of Gas-Phase M+(CO2)n (M = Co, Rh, Ir) Ion-Molecule Complexes.

Science.gov (United States)

Iskra, Andreas; Gentleman, Alexander S; Kartouzian, Aras; Kent, Michael J; Sharp, Alastair P; Mackenzie, Stuart R

2017-01-12

The structures of gas-phase M + (CO 2 ) n (M = Co, Rh, Ir; n = 2-15) ion-molecule complexes have been investigated using a combination of infrared resonance-enhanced photodissociation (IR-REPD) spectroscopy and density functional theory. The results provide insight into fundamental metal ion-CO 2 interactions, highlighting the trends with increasing ligand number and with different group 9 ions. Spectra have been recorded in the region of the CO 2 asymmetric stretch around 2350 cm -1 using the inert messenger technique and their interpretation has been aided by comparison with simulated infrared spectra of calculated low-energy isomeric structures. All vibrational bands in the smaller complexes are blue-shifted relative to the asymmetric stretch in free CO 2 , consistent with direct binding to the metal center dominated by charge-quadrupole interactions. For all three metal ions, a core [M + (CO 2 ) 2 ] structure is identified to which subsequent ligands are less strongly bound. No evidence is observed in this size regime for complete activation or insertion reactions.

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

-ray powder diffraction (XRPD) as a reference technique. In order to fully utilize DRIFT, the application of multivariate techniques are needed, e.g., multivariate statistical process control (MSPC), principal component analysis (PCA) and partial least squares (PLS). The results demonstrate that multivariate...... 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......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...

Cold, Gas-Phase UV and IR Spectroscopy of Protonated Leucine Enkephalin and its Analogues

Science.gov (United States)

Burke, Nicole L.; Redwine, James; Dean, Jacob C.; McLuckey, Scott A.; Zwier, Timothy S.

2014-06-01

The conformational preferences of peptide backbones and the resulting hydrogen bonding patterns provide critical biochemical information regarding the structure-function relationship of peptides and proteins. The spectroscopic study of cryogenically-cooled peptide ions in a mass spectrometer probes these H-bonding arrangements and provides information regarding the influence of a charge site. Leucine enkephalin, a biologically active endogenous opiod peptide, has been extensively studied as a model peptide in mass spectrometry. This talk will present a study of the UV and IR spectroscopy of protonated leucine enkephalin [YGGFL+H]+ and two of its analogues: the sodiated [YGGFL+Na]+ and C-terminally methyl esterified [YGGFL-OMe+H]+ forms. All experiments were performed in a recently completed multi-stage mass spectrometer outfitted with a cryocooled ion trap. Ions are generated via nano-electrospray ionization and the analyte of interest is isolated in a linear ion trap. The analyte ions are trapped in a 22-pole ion trap held at 5 K by a closed cycle helium cryostat and interrogated via UV and IR lasers. Photofragments are trapped and isolated in a second LIT and mass analyzed. Double-resonance UV and IR methods were used to assign the conformation of [YGGFL+H]+, using the NH/OH stretch, Amide I, and Amide II regions of the infrared spectrum. The assigned structure contains a single backbone conformation at vibrational/rotational temperatures of 10 K held together with multiple H-bonds that self-solvate the NH3+ site. A "proton wire" between the N and C termini reinforces the H-bonding activity of the COO-H group to the F-L peptide bond, whose cleavage results in formation of the b4 ion, which is a prevalent, low-energy fragmentation pathway for [YGGFL+H]+. The reinforced H-bonding network in conjunction with the mobile proton theory may help explain the prevalence of the b4 pathway. In order to elucidate structural changes caused by modifying this H-bonding activity

Far-UV Spectral Mapping of Lunar Composition, Porosity, and Space Weathering: LRO Lyman Alpha Mapping Project (LAMP)

Science.gov (United States)

Retherford, K. D.; Greathouse, T. K.; Mandt, K.; Gladstone, R.; Liu, Y.; Hendrix, A. R.; Hurley, D.; Cahill, J. T.; Stickle, A. M.; Egan, A.; Kaufmann, D. E.; Grava, C.; Pryor, W. R.

2016-12-01

Far ultraviolet reflectance measurements of the Moon, icy satellites, comets, and asteroids obtained within the last decade have ushered in a new era of scientific advancement for UV surface investigations. The Lunar Reconnaissance Orbiter (LRO) Lyman Alpha Mapping Project (LAMP) has demonstrated an innovative nightside observing technique, putting a new light on permanently shadowed regions (PSRs) and other features on the Moon. Dayside far-UV albedo maps complement the nightside data, and LRO's polar orbit and high data downlink capabilities enable searches for diurnal variations in spectral signals. We'll discuss the strengths of the far-UV reflectance imaging spectroscopy technique with respect to several new LAMP results. Detections of water frost and hydration signatures near 165 nm, for example, provide constraints on composition that complement infrared spectroscopy, visible imaging, neutron spectroscopy, radar, and other techniques. At far-UV wavelengths a relatively blue spectral slope is diagnostic of space weathering, which is opposite of the spectral reddening indicator of maturity at wavelengths longward of 180 nm. By utilizing natural diffuse illumination sources on the nightside the far-UV technique is able to identify relative increases in porosity within the PSRs, and provides an additional tool for determining relative surface ages. Prospects for future studies are further enabled by a new, more sensitive dayside operating mode enacted during the present LRO mission extension.

Large enhancement of Blocking temperature by control of interfacial structures in Pt/NiFe/IrMn/MgO/Pt multilayers

Directory of Open Access Journals (Sweden)

Xi Chen

2015-09-01

Full Text Available The Blocking temperature (TB of Pt/NiFe/IrMn/MgO/Pt multilayers was greatly enhanced from far below room temperature (RT to above RT by inserting 1 nm thick Mg layer at IrMn/MgO interface. Furthermore, the exchange bias field (Heb was increased as well by the control of interfacial structures. The evidence for a significant fraction of Mn-O bonding at IrMn/MgO interface without Mg insertion layer was provided by X-ray photoelectron spectroscopy. The bonding between Mn and O can decrease the antiferromagnetism of IrMn film, leading to lower value of TB in Pt/NiFe/IrMn/MgO/Pt multilayers. Ultrathin Mg film inserted at IrMn/MgO interface acting as an oxygen sinking layer can suppress the oxidation reactions between Mn and O and reduce the formation of Mn-O bonding greatly. The oxidation suppression results in the recovery of the antiferromagnetism of IrMn film, which can enhance TB and Heb. Furthermore, the high resolution transmission electron microscopy demonstrates that the Mg insertion layer can efficiently promote a high-quality MgO (200 texture. This study will enhance the understanding of physics in antiferromagnet-based spintronic devices.

WW Domain Folding Complexity Revealed by Infrared Spectroscopy

OpenAIRE

Davis, Caitlin M.; Dyer, R. Brian

2014-01-01

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

Site-Specific Characterization of Cytochrome P450cam Conformations by Infrared Spectroscopy.

Science.gov (United States)

Basom, Edward J; Maj, Michał; Cho, Minhaeng; Thielges, Megan C

2016-06-21

Conformational changes are central to protein function but challenging to characterize with both high spatial and temporal precision. The inherently fast time scale and small chromophores of infrared (IR) spectroscopy are well-suited for characterization of potentially rapidly fluctuating environments, and when frequency-resolved probes are incorporated to overcome spectral congestion, enable characterization of specific sites in proteins. We selectively incorporated p-cyanophenylalanine (CNF) as a vibrational probe at five distinct locations in the enzyme cytochrome P450cam and used IR spectroscopy to characterize the environments in substrate and/or ligand complexes reflecting those in the catalytic cycle. Molecular dynamics (MD) simulations were performed to provide a structural basis for spectral interpretation. Together the experimental and simulation data suggest that the CN frequencies are sensitive to both long-range influences, resulting from the particular location of a residue within the enzyme, as well as short-range influences from hydrogen bonding and packing interactions. The IR spectra demonstrate that the environments and effects of substrate and/or ligand binding are different at each position probed and also provide evidence that a single site can experience multiple environments. This study illustrates how IR spectroscopy, when combined with the spectral decongestion and spatial selectivity afforded by CNF incorporation, provides detailed information about protein structural changes that underlie function.

Galaxy evolution and large-scale structure in the far-infrared. II. The IRAS faint source survey

International Nuclear Information System (INIS)

Lonsdale, C.J.; Hacking, P.B.; Conrow, T.P.; Rowan-Robinson, M.

1990-01-01

The new IRAS Faint Source Survey data base is used to confirm the conclusion of Hacking et al. (1987) that the 60 micron source counts fainter than about 0.5 Jy lie in excess of predictions based on nonevolving model populations. The existence of an anisotropy between the northern and southern Galactic caps discovered by Rowan-Robinson et al. (1986) and Needham and Rowan-Robinson (1988) is confirmed, and it is found to extend below their sensitivity limit to about 0.3 Jy in 60 micron flux density. The count anisotropy at f(60) greater than 0.3 can be interpreted reasonably as due to the Local Supercluster; however, no one structure accounting for the fainter anisotropy can be easily identified in either optical or far-IR two-dimensional sky distributions. The far-IR galaxy sky distributions are considerably smoother than distributions from the published optical galaxy catalogs. It is likely that structure of the large size discussed here have been discriminated against in earlier studies due to insufficient volume sampling. 105 refs

HerMES: THE FAR-INFRARED EMISSION FROM DUST-OBSCURED GALAXIES

International Nuclear Information System (INIS)

Calanog, J. A.; Wardlow, J.; Fu, Hai; Cooray, A.; Assef, R. J.; Bock, J.; Riechers, D.; Schulz, B.; Casey, C. M.; Conley, A.; Farrah, D.; Oliver, S. J.; Roseboom, I. G.; Ibar, E.; Kartaltepe, J.; Magdis, G.; Rigopoulou, D.; Marchetti, L.; Pérez-Fournon, I.; Scott, Douglas

2013-01-01

Dust-obscured galaxies (DOGs) are an ultraviolet-faint, infrared-bright galaxy population that reside at z ∼ 2 and are believed to be in a phase of dusty star-forming and active galactic nucleus (AGN) activity. We present far-infrared (far-IR) observations of a complete sample of DOGs in the 2 deg 2 of the Cosmic Evolution Survey. The 3077 DOGs have (z) = 1.9 ± 0.3 and are selected from 24 μm and r + observations using a color cut of r + – [24] ≥ 7.5 (AB mag) and S 24 ≥ 100 μJy. Based on the near-IR spectral energy distributions, 47% are bump DOGs (star formation dominated) and 10% are power-law DOGs (AGN-dominated). We use SPIRE far-IR photometry from the Herschel Multi-tiered Extragalactic Survey to calculate the IR luminosity and characteristic dust temperature for the 1572 (51%) DOGs that are detected at 250 μm (≥3σ). For the remaining 1505 (49%) that are undetected, we perform a median stacking analysis to probe fainter luminosities. Herschel-detected and undetected DOGs have average luminosities of (2.8 ± 0.4) × 10 12 L ☉ and (0.77 ± 0.08) × 10 12 L ☉ , and dust temperatures of (33 ± 7) K and (37 ± 5) K, respectively. The IR luminosity function for DOGs with S 24 ≥ 100 μJy is calculated, using far-IR observations and stacking. DOGs contribute 10%-30% to the total star formation rate (SFR) density of the universe at z = 1.5-2.5, dominated by 250 μm detected and bump DOGs. For comparison, DOGs contribute 30% to the SFR density for all z = 1.5-2.5 galaxies with S 24 ≥ 100 μJy. DOGs have a large scatter about the star formation main sequence and their specific SFRs show that the observed phase of star formation could be responsible for their total observed stellar mass at z ∼ 2

HerMES: THE FAR-INFRARED EMISSION FROM DUST-OBSCURED GALAXIES

Energy Technology Data Exchange (ETDEWEB)

Calanog, J. A.; Wardlow, J.; Fu, Hai; Cooray, A. [Department of Physics and Astronomy, University of California, Irvine, CA 92697 (United States); Assef, R. J. [Jet Propulsion Laboratory, 4800 Oak Grove Drive, Pasadena, CA 91109 (United States); Bock, J.; Riechers, D.; Schulz, B. [California Institute of Technology, 1200 E. California Boulevard, Pasadena, CA 91125 (United States); Casey, C. M. [Institute for Astronomy, University of Hawaii, 2680 Woodlawn Drive, Honolulu, HI 96822 (United States); Conley, A. [Center for Astrophysics and Space Astronomy 389-UCB, University of Colorado, Boulder, CO 80309 (United States); Farrah, D.; Oliver, S. J.; Roseboom, I. G. [Astronomy Centre, Department of Physics and Astronomy, University of Sussex, Brighton BN1 9QH (United Kingdom); Ibar, E. [Instituto de Astrofísica, Facultad de Física, Pontificia Universidad Católica de Chile, Casilla 306, Santiago 22 (Chile); Kartaltepe, J. [National Optical Astronomy Observatory, 950 North Cherry Avenue, Tucson, AZ 85719 (United States); Magdis, G.; Rigopoulou, D. [Department of Astrophysics, Denys Wilkinson Building, University of Oxford, Keble Road, Oxford OX1 3RH (United Kingdom); Marchetti, L. [Department of Physical Sciences, The Open University, Milton Keynes MK7 6AA (United Kingdom); Pérez-Fournon, I. [Instituto de Astrofísica de Canarias (IAC), E-38200 La Laguna, Tenerife (Spain); Scott, Douglas [Department of Physics and Astronomy, University of British Columbia, 6224 Agricultural Road, Vancouver, BC V6T 1Z1 (Canada); and others

2013-09-20

Dust-obscured galaxies (DOGs) are an ultraviolet-faint, infrared-bright galaxy population that reside at z ∼ 2 and are believed to be in a phase of dusty star-forming and active galactic nucleus (AGN) activity. We present far-infrared (far-IR) observations of a complete sample of DOGs in the 2 deg{sup 2} of the Cosmic Evolution Survey. The 3077 DOGs have (z) = 1.9 ± 0.3 and are selected from 24 μm and r {sup +} observations using a color cut of r {sup +} – [24] ≥ 7.5 (AB mag) and S{sub 24} ≥ 100 μJy. Based on the near-IR spectral energy distributions, 47% are bump DOGs (star formation dominated) and 10% are power-law DOGs (AGN-dominated). We use SPIRE far-IR photometry from the Herschel Multi-tiered Extragalactic Survey to calculate the IR luminosity and characteristic dust temperature for the 1572 (51%) DOGs that are detected at 250 μm (≥3σ). For the remaining 1505 (49%) that are undetected, we perform a median stacking analysis to probe fainter luminosities. Herschel-detected and undetected DOGs have average luminosities of (2.8 ± 0.4) × 10{sup 12} L{sub ☉} and (0.77 ± 0.08) × 10{sup 12} L{sub ☉}, and dust temperatures of (33 ± 7) K and (37 ± 5) K, respectively. The IR luminosity function for DOGs with S{sub 24} ≥ 100 μJy is calculated, using far-IR observations and stacking. DOGs contribute 10%-30% to the total star formation rate (SFR) density of the universe at z = 1.5-2.5, dominated by 250 μm detected and bump DOGs. For comparison, DOGs contribute 30% to the SFR density for all z = 1.5-2.5 galaxies with S{sub 24} ≥ 100 μJy. DOGs have a large scatter about the star formation main sequence and their specific SFRs show that the observed phase of star formation could be responsible for their total observed stellar mass at z ∼ 2.

Molecular dynamics simulation of nonlinear spectroscopies of intermolecular motions in liquid water.

Science.gov (United States)

Yagasaki, Takuma; Saito, Shinji

2009-09-15

Water is the most extensively studied of liquids because of both its ubiquity and its anomalous thermodynamic and dynamic properties. The properties of water are dominated by hydrogen bonds and hydrogen bond network rearrangements. Fundamental information on the dynamics of liquid water has been provided by linear infrared (IR), Raman, and neutron-scattering experiments; molecular dynamics simulations have also provided insights. Recently developed higher-order nonlinear spectroscopies open new windows into the study of the hydrogen bond dynamics of liquid water. For example, the vibrational lifetimes of stretches and a bend, intramolecular features of water dynamics, can be accurately measured and are found to be on the femtosecond time scale at room temperature. Higher-order nonlinear spectroscopy is expressed by a multitime correlation function, whereas traditional linear spectroscopy is given by a one-time correlation function. Thus, nonlinear spectroscopy yields more detailed information on the dynamics of condensed media than linear spectroscopy. In this Account, we describe the theoretical background and methods for calculating higher order nonlinear spectroscopy; equilibrium and nonequilibrium molecular dynamics simulations, and a combination of both, are used. We also present the intermolecular dynamics of liquid water revealed by fifth-order two-dimensional (2D) Raman spectroscopy and third-order IR spectroscopy. 2D Raman spectroscopy is sensitive to couplings between modes; the calculated 2D Raman signal of liquid water shows large anharmonicity in the translational motion and strong coupling between the translational and librational motions. Third-order IR spectroscopy makes it possible to examine the time-dependent couplings. The 2D IR spectra and three-pulse photon echo peak shift show the fast frequency modulation of the librational motion. A significant effect of the translational motion on the fast frequency modulation of the librational motion is

Analysis of Chuanxiong Rhizoma and its active components by Fourier transform infrared spectroscopy combined with two-dimensional correlation infrared spectroscopy.

Science.gov (United States)

Guo, Yizhen; Lv, Beiran; Wang, Jingjuan; Liu, Yang; Sun, Suqin; Xiao, Yao; Lu, Lina; Xiang, Li; Yang, Yanfang; Qu, Lei; Meng, Qinghong

2016-01-15

As complicated mixture systems, active components of Chuanxiong Rhizoma are very difficult to identify and discriminate. In this paper, the macroscopic IR fingerprint method including Fourier transform infrared spectroscopy (FT-IR), the second derivative infrared spectroscopy (SD-IR) and two-dimensional correlation infrared spectroscopy (2DCOS-IR), was applied to study and identify Chuanxiong raw materials and its different segmented production of HPD-100 macroporous resin. Chuanxiong Rhizoma is rich in sucrose. In the FT-IR spectra, water eluate is more similar to sucrose than the powder and the decoction. Their second derivative spectra amplified the differences and revealed the potentially characteristic IR absorption bands and combined with the correlation coefficient, concluding that 50% ethanol eluate had more ligustilide than other eluates. Finally, it can be found from 2DCOS-IR spectra that proteins were extracted by ethanol from Chuanxiong decoction by HPD-100 macroporous resin. It was demonstrated that the above three-step infrared spectroscopy could be applicable for quick, non-destructive and effective analysis and identification of very complicated and similar mixture systems of traditional Chinese medicines. Copyright © 2015 Elsevier B.V. All rights reserved.

IR reflectance spectroscopy of carbon dioxide clathrate hydrates. Implications for Saturn's icy moons.

Science.gov (United States)

Oancea, A.; Grasset, O.; Le Menn, E.; Bezacier, L.; Bollengier, O.; Le Mouélic, S.; Tobie, G.

2012-04-01

A CO2 spectral band was discovered by VIMS on the Saturn's satellites Dione, Hyperion, Iapetus and Phoebe [1]. The band position on the three first satellites corresponds to CO2 trapped in a complex material, but no indication exists whether this latter is water ice or some mineral or complex organic compound [1]. On Phoebe, the CO2 spectral band is consistent with solid CO2 or CO2 molecules trapped in the small cages of a clathrate hydrate structure [2]. It is thought that clathrate hydrates could play a significant role in the chemistry of the solar nebula [3] and in the physical evolution of astrophysical objects [4]. But so far, no clathrate hydrate structure has been observed in astrophysical environments. Moreover, identification of molecules trapped in a clathrate hydrate structure is extremely difficult because of the strong IR vibration modes of the water ice matrix. In this work, experimental IR reflectance spectra for CO2 clathrate hydrates are studied on grains and films. Clathrates are synthesized in a high pressure autoclave at low temperatures. IR spectral analysis is made with a low pressure and low temperature cryostat. These experimental conditions - 80 spectrum will be presented. A comparison between the absorption bands of CO2 clathrate hydrates obtained in our lab and CO2 absorption bands as detected by VIMS on the icy satellites of Saturn will be shown. This experimental work confirms that VIMS data are not consistent with the presence of structure I CO2 clathrate hydrates on the surface of the icy moons. Possibility of having metastable structure II still remains unsolved and will be discussed. [1] Dalton et al., Space Sci. Rev. 2010, 153 : 113-154. [2] Cruikshank D.P. et al, Icarus, 2010, 206: 561-572. [3] Mousis O. et al , Ap. J. 2009, 691: 1780-1786. [4] Choukroun M. et al, in Solar System Ices, edited by Castillo-Rogez, J. et al., 2011.

On formation mechanism of Pd-Ir bimetallic nanoparticles through thermal decomposition of [Pd(NH3)4][IrCl6

Science.gov (United States)

Asanova, Tatyana I.; Asanov, Igor P.; Kim, Min-Gyu; Gerasimov, Evgeny Yu.; Zadesenets, Andrey V.; Plyusnin, Pavel E.; Korenev, Sergey V.

2013-10-01

The formation mechanism of Pd-Ir nanoparticles during thermal decomposition of double complex salt [Pd(NH3)4][IrCl6] has been studied by in situ X-ray absorption (XAFS) and photoelectron (XPS) spectroscopies. The changes in the structure of the Pd and Ir closest to the surroundings and chemical states of Pd, Ir, Cl, and N atoms were traced in the range from room temperature to 420 °C in inert atmosphere. It was established that the thermal decomposition process is carried out in 5 steps. The Pd-Ir nanoparticles are formed in pyramidal/rounded Pd-rich (10-200 nm) and dendrite Ir-rich (10-50 nm) solid solutions. A d charge depletion at Ir site and a gain at Pd, as well as the intra-atomic charge redistribution between the outer d and s and p electrons of both Ir and Pd in Pd-Ir nanoparticles, were found to occur.

On formation mechanism of Pd–Ir bimetallic nanoparticles through thermal decomposition of [Pd(NH3)4][IrCl6

International Nuclear Information System (INIS)

Asanova, Tatyana I.; Asanov, Igor P.; Kim, Min-Gyu; Gerasimov, Evgeny Yu.; Zadesenets, Andrey V.; Plyusnin, Pavel E.; Korenev, Sergey V.

2013-01-01

The formation mechanism of Pd–Ir nanoparticles during thermal decomposition of double complex salt [Pd(NH 3 ) 4 ][IrCl 6 ] has been studied by in situ X-ray absorption (XAFS) and photoelectron (XPS) spectroscopies. The changes in the structure of the Pd and Ir closest to the surroundings and chemical states of Pd, Ir, Cl, and N atoms were traced in the range from room temperature to 420 °C in inert atmosphere. It was established that the thermal decomposition process is carried out in 5 steps. The Pd–Ir nanoparticles are formed in pyramidal/rounded Pd-rich (10–200 nm) and dendrite Ir-rich (10–50 nm) solid solutions. A d charge depletion at Ir site and a gain at Pd, as well as the intra-atomic charge redistribution between the outer d and s and p electrons of both Ir and Pd in Pd–Ir nanoparticles, were found to occur.Graphical Abstract

Cadmium-sensitive electrode based on tetracetone derivatives of p-tert-butylcalix[8]arene

Energy Technology Data Exchange (ETDEWEB)

Dernane, C. [Université de Jijel, Laboratoire de Matériaux: Elaborations-Propriétés-Applications, BP 98, Ouled Aissa, 18000 Jijel (Algeria); Zazoua, A., E-mail: azazoua@yahoo.fr [Université de Jijel, Laboratoire de Matériaux: Elaborations-Propriétés-Applications, BP 98, Ouled Aissa, 18000 Jijel (Algeria); Kazane, I. [Université de Jijel, Laboratoire de Matériaux: Elaborations-Propriétés-Applications, BP 98, Ouled Aissa, 18000 Jijel (Algeria); Jaffrezic-Renault, N. [Université de Lyon, LSA-UMR 5180 CNRS, Université Claude Bernard Lyon 1, 69622 Villeurbanne cedex (France)

2013-10-15

The performance of a cadmium-sensitive electrode based on the tetracetone derivatives of p-tert butylcalix[8]arene was investigated. The ion-sensitivity of the calix[8]arene was examined via cyclic voltammetry (CV), electrochemical impedance spectroscopy (EIS), X-ray photoelectron spectrometry, UV/Vis spectroscopy and FT-IR spectroscopy. The sensitive membrane containing the active ionophore was cast onto the surface of a gold electrode. The electrode exhibited a linear relationship between the charge transfer resistance (R{sub ct}) and the logarithm of the detected ion concentration. The cathodic peak at a potential of 0.56 V increased linearly as the Cd{sup 2+} ion concentration increased. The detection limit of the device reached 10{sup −7} M with high sensitivity toward cadmium. - Highlights: • The performances of cadmium-sensitive electrode were investigated. • The sensitive membrane was casted on the surface of a gold electrode. • The electrode showed a linear relationship between the R{sub ct} and the ion concentration. • The detection limit of the device was 10{sup −7} M with high sensitivity toward cadmium.

Raman Signatures of Broken Inversion Symmetry and In-Plane Anisotropy in Type-II Weyl Semimetal Candidate TaIrTe4.

Science.gov (United States)

Liu, Yinan; Gu, Qiangqiang; Peng, Yu; Qi, Shaomian; Zhang, Na; Zhang, Yinong; Ma, Xiumei; Zhu, Rui; Tong, Lianming; Feng, Ji; Liu, Zheng; Chen, Jian-Hao

2018-05-07

The layered ternary compound TaIrTe 4 is an important candidate to host the recently predicted type-II Weyl fermions. However, a direct and definitive proof of the absence of inversion symmetry in this material, a prerequisite for the existence of Weyl Fermions, has so far remained evasive. Herein, an unambiguous identification of the broken inversion symmetry in TaIrTe 4 is established using angle-resolved polarized Raman spectroscopy. Combining with high-resolution transmission electron microscopy, an efficient and nondestructive recipe to determine the exact crystallographic orientation of TaIrTe 4 crystals is demonstrated. Such technique could be extended to the fast identification and characterization of other type-II Weyl fermions candidates. A surprisingly strong in-plane electrical anisotropy in TaIrTe 4 thin flakes is also revealed, up to 200% at 10 K, which is the strongest known electrical anisotropy for materials with comparable carrier density, notably in such good metals as copper and silver. © 2018 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Comparative investigation of Fourier transform infrared (FT-IR) spectroscopy and X-ray diffraction (XRD) in the determination of cotton fiber crystallinity.

Science.gov (United States)

Liu, Yongliang; Thibodeaux, Devron; Gamble, Gary; Bauer, Philip; VanDerveer, Don

2012-08-01

Despite considerable efforts in developing curve-fitting protocols to evaluate the crystallinity index (CI) from X-ray diffraction (XRD) measurements, in its present state XRD can only provide a qualitative or semi-quantitative assessment of the amounts of crystalline or amorphous fraction in a sample. The greatest barrier to establishing quantitative XRD is the lack of appropriate cellulose standards, which are needed to calibrate the XRD measurements. In practice, samples with known CI are very difficult to prepare or determine. In a previous study, we reported the development of a simple algorithm for determining fiber crystallinity information from Fourier transform infrared (FT-IR) spectroscopy. Hence, in this study we not only compared the fiber crystallinity information between FT-IR and XRD measurements, by developing a simple XRD algorithm in place of a time-consuming and subjective curve-fitting process, but we also suggested a direct way of determining cotton cellulose CI by calibrating XRD with the use of CI(IR) as references.

Honey bee odorant-binding protein 14: effects on thermal stability upon odorant binding revealed by FT-IR spectroscopy and CD measurements.

Science.gov (United States)

Schwaighofer, Andreas; Kotlowski, Caroline; Araman, Can; Chu, Nam; Mastrogiacomo, Rosa; Becker, Christian; Pelosi, Paolo; Knoll, Wolfgang; Larisika, Melanie; Nowak, Christoph

2014-03-01

In the present work, we study the effect of odorant binding on the thermal stability of honey bee (Apis mellifera L.) odorant-binding protein 14. Thermal denaturation of the protein in the absence and presence of different odorant molecules was monitored by Fourier transform infrared spectroscopy (FT-IR) and circular dichroism (CD). FT-IR spectra show characteristic bands for intermolecular aggregation through the formation of intermolecular β-sheets during the heating process. Transition temperatures in the FT-IR spectra were evaluated using moving-window 2D correlation maps and confirmed by CD measurements. The obtained results reveal an increase of the denaturation temperature of the protein when bound to an odorant molecule. We could also discriminate between high- and low-affinity odorants by determining transition temperatures, as demonstrated independently by the two applied methodologies. The increased thermal stability in the presence of ligands is attributed to a stabilizing effect of non-covalent interactions between odorant-binding protein 14 and the odorant molecule.

Infrared and visible laser spectroscopy for highly-charged Ni-like ions

Science.gov (United States)

Ralchenko, Yuri

2017-10-01

Application of visible or infrared (IR) lasers for spectroscopy of highly-charged ions (HCI) has not been particularly extensive so far due to a mismatch in typical energies. We show here that the energy difference between the two lowest levels within the first excited configuration 3d9 4 s in Ni-like ions of heavy elements from ZN = 60 to ZN = 92 is within the range of visible or near-IR lasers. The wavelengths of these transitions are calculated within the relativistic model potential formalism and compared with other theoretical and limited experimental data. Detailed collisional-radiative simulations of non-Maxwellian and thermal plasmas are performed showing that photopumping between these levels using relatively moderate lasers is sufficient to provide a two-order of magnitude increase of the pumped level population. This accordingly results in a similar rise of the X-ray line intensity thereby allowing control of X-ray emission with visible/IR lasers.

X-ray diffraction, IR spectroscopy and thermal characterization of partially hydrolyzed guar gum.

Science.gov (United States)

Mudgil, Deepak; Barak, Sheweta; Khatkar, B S

2012-05-01

Guar gum was hydrolyzed using cellulase from Aspergillus niger at 5.6 pH and 50°C temperature. Hydrolyzed guar gum sample was characterized using Fourier transform infrared spectroscopy, differential scanning calorimetry, thermogravimetric analysis, X-ray diffraction, dilute solution viscometry and rotational viscometry. Viscometry analysis of native guar gum showed a molecular weight of 889742.06, whereas, after enzymatic hydrolysis, the resultant product had a molecular weight of 7936.5. IR spectral analysis suggests that after enzymatic hydrolysis of guar gum there was no major transformation of functional group. Thermal analysis revealed no major change in thermal behavior of hydrolyzed guar gum. It was shown that partial hydrolysis of guar gum could be achieved by inexpensive and food grade cellulase (Aspergillus niger) having commercial importance and utilization as a functional soluble dietary fiber for food industry. Copyright © 2012 Elsevier B.V. All rights reserved.

Isolation and cross-sensitivity of X-ray-sensitive mutants of V79-4 hamster cells

International Nuclear Information System (INIS)

Jones, N.J.; Cox, R.; Thacker, J.

1987-01-01

The V79-4 Chinese hamster line was mutagenized and surviving clones screened for X-ray sensitivity using a replica microwell technique. One slightly sensitive clone and 3 clearly sensitive clones were isolated from approximately 5000 screened, and designated irs 1 to irs 4. The 3 more sensitive clones showed different responses to the genotoxic agents mitomycin C (MMC), ethyl methanesulphonate (EMS) and ultraviolet light (UV). irs 1 showed considerable sensitivity to all the agents tested, in the order MMC >> EMS > UV. irs 2 and irs 3 had similar sensitivities to EMS and to UV (EMS > UV) but irs 3 was more sensitive than irs 2 to MMC. None of these mutants is identical in phenotype to previously published mutants. (Auth.)

Fasting serum insulin and the homeostasis model of insulin resistance (HOMA-IR) in the monitoring of lifestyle interventions in obese persons.

Science.gov (United States)

Vogeser, Michael; König, Daniel; Frey, Ingrid; Predel, Hans-Georg; Parhofer, Klaus Georg; Berg, Aloys

2007-09-01

Lifestyle changes with increased physical activity and balanced energy intake are recognized as the principal interventions in obesity and insulin resistance. Only few prospective studies, however, have so far addressed the potential role of routine biochemical markers of insulin sensitivity in the monitoring of respective interventions. Fasting insulin and glucose was measured in 33 obese individuals undergoing a lifestyle modification program (MOBILIS) at baseline and after 1 year. The HOMA-IR index (homeostasis model of insulin resistance) was calculated as [fasting serum glucose*fasting serum insulin/22.5], with lower values indicating a higher degree of insulin sensitivity. While the median body mass index (BMI) and waist circumference decreased by 10% and 11%, respectively, the HOMA-IR index decreased in an over-proportional manner by 45% within 1 year (BMI baseline, median 35.7, interquartile range (IQR) 33.7-37.7; after 1 year, median 32.2, IQR 29.6-35.1. HOMA-IR baseline, median 2.9, IQR 1.5-4.6; after 1 year 1.6, IQR 0.9-2.7). In contrast to HOMA-IR and fasting serum insulin, no significant changes in fasting serum glucose were observed. Baseline and post-intervention HOMA-IR showed a high degree of inter-individual variation with eight individuals maintaining high HOMA-IR values despite weight loss after 1 year of intervention. Individual changes in the carbohydrate metabolism achieved by a lifestyle intervention program were displayed by fasting serum insulin concentrations and the HOMA-IR but not by fasting glucose measurement alone. Therefore, assessment of the HOMA-IR may help to individualize lifestyle interventions in obesity and to objectify improvements in insulin sensitivity after therapeutic lifestyle changes.

Far off-resonance laser frequency stabilization using multipass cells in Faraday rotation spectroscopy.

Science.gov (United States)

Quan, Wei; Li, Yang; Li, Rujie; Shang, Huining; Fang, Zishan; Qin, Jie; Wan, Shuangai

2016-04-01

We propose a far off-resonance laser frequency stabilization method by using multipass cells in Rb Faraday rotation spectroscopy. Based on the detuning equation, if multipass cells with several meters optical path length are used in the conventional Faraday spectroscopy, the detuning of the lock point can be extended much further from the alkali metal resonance. A plate beam splitter was used to generate two different Faraday signals at the same time. The transmitted optical path length was L=50  mm and the reflected optical path length was 2L=100  mm. When the optical path length doubled, the detuning of the lock points moved further away from the atomic resonance. The temperature dependence of the detuning of the lock point was also analyzed. A temperature-insensitive lock point was found near resonance when the cell temperature was between 110°C and 130°C. We achieved an rms fluctuation of 0.9 MHz/23 h at a detuning of 0.5 GHz. A frequency drift of 16 MHz/h at a detuning of -5.6  GHz and 4 MHz/h at a detuning of -5.2  GHz were also obtained for the transmitted and reflected light Faraday signal.

Far-infrared data for symbiotic stars. II. The IRAS survey observations

International Nuclear Information System (INIS)

Kenyon, S.J.; Fernandez-Castro, T.; Stencel, R.E.

1988-01-01

IRAS survey data for all known symbiotic binaries are reported. S type systems have 25 micron excesses much larger than those of single red giant stars, suggesting that these objects lose mass more rapidly than do normal giants. D type objects have far-IR colors similar to those of Mira variables, implying mass-loss rate of about 10 to the -6th solar masses/yr. The near-IR extinctions of the D types indicate that their Mira components are enshrouded in optically thick dust shells, while their hot companions lie outside the shells. If this interpretation of the data is correct, then the very red near-IR colors of D type symbiotic stars are caused by extreme amounts of dust absorption rather than dust emission. The small group of D prime objects possesses far-IR colors resembling those of compact planetary nebulae or extreme OH/IR stars. It is speculated that these binaries are not symbiotic stars at all, but contain a hot compact star and an exasymptotic branch giant which is in the process of ejecting a planetary nebula shell. 42 references

Voxel-based measurement sensitivity of spatially resolved near-infrared spectroscopy in layered tissues.

Science.gov (United States)

Niwayama, Masatsugu

2018-03-01

We quantitatively investigated the measurement sensitivity of spatially resolved spectroscopy (SRS) across six tissue models: cerebral tissue, a small animal brain, the forehead of a fetus, an adult brain, forearm muscle, and thigh muscle. The optical path length in the voxel of the model was analyzed using Monte Carlo simulations. It was found that the measurement sensitivity can be represented as the product of the change in the absorption coefficient and the difference in optical path length in two states with different source-detector distances. The results clarified the sensitivity ratio between the surface layer and the deep layer at each source-detector distance for each model and identified changes in the deep measurement area when one of the detectors was close to the light source. A comparison was made with the results from continuous-wave spectroscopy. The study also identified measurement challenges that arise when the surface layer is inhomogeneous. Findings on the measurement sensitivity of SRS at each voxel and in each layer can support the correct interpretation of measured values when near-infrared oximetry or functional near-infrared spectroscopy is used to investigate different tissue structures. (2018) COPYRIGHT Society of Photo-Optical Instrumentation Engineers (SPIE).

Role of Bi promotion and solvent in platinum-catalyzed alcohol oxidation probed by in situ X-ray absorption and ATR-IR spectroscopy

DEFF Research Database (Denmark)

Mondelli, C.; Grunwaldt, Jan-Dierk; Ferri, D.

2010-01-01

the catalysts under working conditions using in situ X-ray absorption spectroscopy (XAS) and attenuated total reflection infrared spectroscopy (ATR-IR), aiming at uncovering the roles of the metal promoter and the reaction medium. XAS confirms that Bi is oxidized more easily than Pt, maintaining the catalytic...... surfaces than on step or kink sites. Side products, CO and benzoate species, appearing during the reaction reveal that the geometric suppression of undesired reactions does not occur to the same extent on Pt-based catalysts as on Pd, suggesting that decarbonylation of the produced aldehyde on Pt may occur...

Sensitivity Range Analysis of Infrared (IR) Transmitter and Receiver Sensor to Detect Sample Position in Automatic Sample Changer

International Nuclear Information System (INIS)

Syirrazie Che Soh; Nolida Yussup; Nur Aira Abdul Rahman; Maslina Ibrahim

2016-01-01

Sensitivity range of IR Transmitter and Receiver Sensor influences the effectiveness of the sensor to detect position of a sample. Then the purpose of this analysis is to determine the suitable design and specification the electronic driver of the sensor to gain appropriate sensitivity range for required operation. The related activities to this analysis cover electronic design concept and specification, calibration of design specification and evaluation on design specification for required application. (author)

Chemical Sensors Based on IR Spectroscopy and Surface-Modified Waveguides

Science.gov (United States)

Lopez, Gabriel P.; Niemczyk, Thomas

1999-01-01

Sol-gel processing techniques have been used to apply thin porous films to the surfaces of planar infrared (IR) waveguides to produce widely useful chemical sensors. The thin- film coating serves to diminish the concentration of water and increase the concentration of the analyte in the region probed by the evanescent IR wave. These porous films are composed of silica, and therefore, conventional silica surface modification techniques can be used to give the surface a specific functional character. The sol-gel film was surface-modified to make the film highly hydrophobic. These sensors were shown to be capable of detecting non-polar organic analytes, such as benzonitrile, in aqueous solution with detection limits in the ppb range. Further, these porous sol-gel structures allow the analytes to diffuse into and out of the films rapidly, thus reaching equilibrium in less than ten seconds. These sensors are unique because of the fact that their operation is based on the measurement of an IR absorption spectrum. Thus, these sensors are able to identify the analytes as well as measure concentration with high sensitivity. These developments have been documented in previous reports and publications. Recently, we have also targeted detection of the polar organic molecules acetone and isopropanol in aqueous solution. Polar organics are widely used in industrial and chemical processes, hence it is of interest to monitor their presence in effluents or decontamination process flows. Although large improvements in detection limits were expected with non-polar organic molecules in aqueous solutions using very hydrophobic porous sol-gel films on silicon attenuated total reflectance (Si ATR) waveguides, it was not as clear what the detection enhancements might be for polar organic molecules. This report describes the use of modified sol-gel-coated Si ATR sensors for trace detection and quantitation of small polar organic molecules in aqueous solutions. The detection of both acetone

Improved Sensitivity of Spectroscopic Quantification of Stable Isotope Content Using Capillary Absorption Spectroscopy

Science.gov (United States)

Moran, J.; Wilcox Freeburg, E.; Kriesel, J.; Linley, T. J.; Kelly, J.; Coleman, M. L.; Christensen, L. E.; Vance, S.

2016-12-01

Spectroscopy-based platforms have recently risen to the forefront for making stable isotope measurements of methane, carbon dioxide, water, or other analytes. These spectroscopy systems can be relatively straightforward to operate (versus a mass spectrometry platform), largely relieve the analyst of mass interference artifacts, and many can be used in the field. Despite these significant advantages, however, existing spectroscopy techniques suffer from a lack of measurement sensitivity that can ultimately limit select applications including spatially resolved and compound-specific measurements. Here we present a capillary absorption spectroscopy (CAS) system that is designed to mitigate sensitivity issues in spectroscopy-based stable isotope evaluation. The system uses mid-wave infrared excitation generated from a continuous wave quantum cascade laser. Importantly, the sample `chamber' is a flexible capillary with a total volume of less than one cc. Proprietary coatings on the internal surface of the fiber improve optical performance, guiding the light to a detector and facilitating high levels of interaction between the laser beam and gaseous analytes. We present data demonstrating that a tapered hollow fiber cell, with an internal diameter that broadens toward the detector, reduces optical feedback to further improve measurement sensitivity. Sensitivity of current hollow fiber / CAS systems enable measurements of only 10's of picomoles CO2 while theoretical improvements should enable measurements of as little as 10's of femtomoles. Continued optimization of sample introduction and improvements to optical feedback are being explored. Software is being designed to provide rapid integration of data and generation of processed isotope measurements using a graphical user interface. Taken together, the sensitivity improvements of the CAS system under development could, when coupled to a laser ablation sampling device, enable up to 2 µm spatial resolution (roughly the

UV/IR Filaments for High Resolution Novel Spectroscopic Interrogation of Plumes on Nuclear Materials

Science.gov (United States)

2016-06-01

Raman spectroscopy of plumes created by a laser filament. The molecules to be detected are excited by the short pulse IR pulse, while the co-propagating... spectroscopy of gas samples has been demonstrated in IR filaments [32], using the fs pulse of the filament (800 nm) to vibrationally excite the components...Petit. Isotope ratio determination of uranium by optical emission spectroscopy on a laser -produced plasma; basic investigation and analytical results

A car-borne highly sensitive near-IR diode-laser methane detector

International Nuclear Information System (INIS)

Berezin, A G; Ershov, Oleg V; Shapovalov, Yu P

2003-01-01

A highly sensitive automated car-borne detector for measuring methane concentration in real time is designed, developed and tested under laboratory and field conditions. Measurements were made with the help of an uncooled tunable near-IR 1.65-μm laser diode. The detector consists of a multipass optical cell with a 45-m long optical path and a base length of 0.5 m. The car-borne detector is intended for monitoring the methane concentration in air from the moving car to reveal the leakage of domestic gas. The sensitivity limit (standard deviation) under field conditions is 1 ppm (20 ppb under laboratory conditions) for a measuring time of 0.4 s. The measuring technique based on the detection of a single methane line ensured a high selectivity of methane detector relative to other gases. The methane detector can be easily modified for measuring other simple-molecule gases (e.g., CO, CO 2 , HF, NO 2 , H 2 O) by replacing the diode laser and varying the parameters of the control program. (special issue devoted to the memory of academician a m prokhorov)

FT-IR spectroscopy: A powerful tool for studying the inter- and intraspecific biodiversity of cultivable non-Saccharomyces yeasts isolated from grape must.

Science.gov (United States)

Grangeteau, Cédric; Gerhards, Daniel; Terrat, Sebastien; Dequiedt, Samuel; Alexandre, Hervé; Guilloux-Benatier, Michèle; von Wallbrunn, Christian; Rousseaux, Sandrine

2016-02-01

The efficiency of the FT-IR technique for studying the inter- and intra biodiversity of cultivable non-Saccharomyces yeasts (NS) present in different must samples was examined. In first, the capacity of the technique FT-IR to study the global diversity of a given sample was compared to the pyrosequencing method, used as a reference technique. Seven different genera (Aureobasidium, Candida, Cryptococcus, Hanseniaspora, Issatchenkia, Metschnikowia and Pichia) were identified by FT-IR and also by pyrosequencing. Thirty-eight other genera were identified by pyrosequencing, but together they represented less than 6% of the average total population of 6 musts. Among the species identified, some of them present organoleptic potentials in winemaking, particularly Starmerella bacillaris (synonym Candidazemplinina). So in a second time, we evaluated the capacity of the FT-IR technique to discriminate the isolates of this species because few techniques were able to study intraspecific NS yeast biodiversity. The results obtained were validated by using a classic method as ITS sequencing. Biodiversity at strain level was high: 19 different strains were identified from 58 isolates. So, FT-IR spectroscopy seems to be an accurate and reliable method for identifying major genera present in the musts. The two biggest advantages of the FT-IR are the capacity to characterize intraspecific biodiversity of non-Saccharomyces yeasts and the possibility to discriminate a lot of strains. Copyright © 2015 Elsevier B.V. All rights reserved.

Laser spectroscopy probes the nucleus

International Nuclear Information System (INIS)

Griffith, J.; Billowes, J.

1998-01-01

Extremely sensitive optical measurements are shedding new light on the shape and size of nuclei, and the properties of nuclear matter far from stability. Of the 7000 or so isotopes known to nuclear physicists, less than 270 are stable. In general isotopes become more and more unstable as we move away from the so-called valley of stability, and therefore become more difficult to study in experiments. The tests of the theory also become more demanding. Laser spectroscopy is one of the techniques that is helping to explore the properties of these isotopes and improve our understanding of the forces inside the nucleus. High-resolution laser spectroscopy of short-lived radioactive atoms now makes it possible to measure the nuclear charge radius of many elements, including many isotopes far from stability. The method can reveal fine details of the sizes, shapes and structures of nuclei. In addition, laser spectroscopy is making significant contributions to our understanding of the nuclear force in unstable nuclei with unusual, or extreme, proton-neutron ratios. In this article the authors discuss the latest advances in studying heavy nuclei. (author)

Characterization of Momordica charantia Ussing FT-IR Spectroscopy

Directory of Open Access Journals (Sweden)

Attila Keseru

2016-11-01

In this paper, because earlier claim shows that the plant used as stomachic, carminative, tonic, antipyretic, antidiabetic, in rheumatoid arthritis and gout, the present investigation was carried to characterized a principal components of plant using FT-IR technique

Matsuda-DeFronzo insulin sensitivity index is a better predictor than HOMA-IR of hypertension in Japanese: the Tanno-Sobetsu study.

Science.gov (United States)

Furugen, M; Saitoh, S; Ohnishi, H; Akasaka, H; Mitsumata, K; Chiba, M; Furukawa, T; Miyazaki, Y; Shimamoto, K; Miura, T

2012-05-01

Here we examined whether the Matsuda-DeFronzo insulin sensitivity index (ISI-M) is more efficient than the homeostasis model assessment of insulin resistance (HOMA-IR) for assessing risk of hypertension. Cross-sectional and longitudinal analyses were conducted using normotensive subjects who were selected among 1399 subjects in the Tanno-Sobetsu cohort. In the cross-sectional analysis (n=740), blood pressure (BP) level was correlated with HOMA-IR and with ISI-M, but correlation coefficients indicate a tighter correlation with ISI-M. Multiple linear regression analysis adjusted by age, sex, body mass index (BMI) and serum triglyceride level (TG) showed contribution of ISI-M and fasting plasma glucose, but not of HOMA-IR. In the longitudinal analysis (n=607), 241 subjects (39.7%) developed hypertension during a 10-year follow-up period, and multiple logistic regression indicated that age, TG, systolic BP and ISI-M, but not HOMA-IR, were associated with development of hypertension. In subjects HOMA-IR. Non-hepatic IR may be a determinant, which is independent of TG, BP level and BMI, of the development of hypertension.

Coordinate-sensitive charged particle detector for spectroscopy

Directory of Open Access Journals (Sweden)

Sidorenko V. P.

2016-10-01

Full Text Available The authors have designed, manufactured and tested a coordinate-sensitive detector for charged particle spectroscopy. The detector can be used in the devices for the elemental analysis of materials, providing simultaneous analysis of all the elemental composition with high sensitivity and precision. The designed device is based on an integrated circuit (IC and a microchannel plate (MCP electron multiplier. The IC is mounted on a ceramic substrate. Ions fall on the MCP mounted above the IC. Giving rise to a pulse which typically exceeds 106 electrons, each ion falls on the detector electrodes and these pulses are counted. In this research, a two stage stack of MCPs (Hamamatsu was used. The MCPs have a channel diameter of 12 μm on a 15 μm pitch. The results of tests carried out in a mass spectrometer are presented. The designed detector is small, light, and low-power.

Structure and properties of hydrocarbon radical cations in low-temperature matrices as studied by a combination of EPR and IR spectroscopy

International Nuclear Information System (INIS)

Feldman, V.I.

1997-01-01

Use of IR spectroscopy (as a supplement to EPR) may provide new insight into the problem of analysis of structure and properties of organic radical cations. In this work, the results of combined EPR/IR studies of the formation, structure and properties of hydrocarbon radical cations in halocarbon and solid rare gas matrices are discussed. Both IR and EPR studies were carried out with matrix deposited samples irradiated with fast electrons at 15 or 77 K. IR spectroscopic data were found to be helpful in three aspects: (i) characterization of the conformation and association and molecule-matrix interactions of the parent molecules; (ii) identification of diamagnetic products of the reactions of radical cations in ground and excited states; (iii) determining the characteristics of vibrational spectra of the radical cations, which are of primary interest for analysis of chemical bonding and reactivity of the radical cations. The applications of the combined approach are illustrated with examples of studies of several alkenes in Freon matrices and alkanes in solid rare gas matrices. The matrix effects on trapping and degradation of radical cations were interpreted as the result of variations in matrix electronic characteristics (IP, polarizability) and molecule-matrix interactions. (au) 48 refs

Hydrogenated fullerenes in space: FT-IR spectra analysis

Energy Technology Data Exchange (ETDEWEB)

El-Barbary, A. A. [Physics Department, Faculty of Education, Ain-Shams University, Cairo, Egypt Physics Department, Faculty of Science, Jazan University, Jazan (Saudi Arabia)

2016-06-10

Fullerenes and hydrogenated fullerenes are found in circumstellar and interstellar environments. But the determination structures for the detected bands in the interstellar and circumstellar space are not completely understood so far. For that purpose, the aim of this article is to provide all possible infrared spectra for C{sub 20} and C{sub 60} fullerenes and their hydrogenated fullerenes. Density Functional theory (DFT) is applied using B3LYP exchange-functional with basis set 6–31G(d, p). The Fourier transform infrared spectroscopy (FT-IR) is found to be capable of distinguishing between fullerenes, mono hydrogenated fullerenes and fully hydrogenated fullerenes. In addition, deposition of one hydrogen atom outside the fully hydrogenated fullerenes is found to be distinguished by forming H{sub 2} molecule at peak around 4440 cm{sup −1}. However, deposition of one hydrogen atom inside the fully hydrogenated fullerenes cannot be distinguished. The obtained spectral structures are analyzed and are compared with available experimental results.

Hydrogenated fullerenes in space: FT-IR spectra analysis

International Nuclear Information System (INIS)

El-Barbary, A. A.

2016-01-01

Fullerenes and hydrogenated fullerenes are found in circumstellar and interstellar environments. But the determination structures for the detected bands in the interstellar and circumstellar space are not completely understood so far. For that purpose, the aim of this article is to provide all possible infrared spectra for C 20 and C 60 fullerenes and their hydrogenated fullerenes. Density Functional theory (DFT) is applied using B3LYP exchange-functional with basis set 6–31G(d, p). The Fourier transform infrared spectroscopy (FT-IR) is found to be capable of distinguishing between fullerenes, mono hydrogenated fullerenes and fully hydrogenated fullerenes. In addition, deposition of one hydrogen atom outside the fully hydrogenated fullerenes is found to be distinguished by forming H 2 molecule at peak around 4440 cm −1 . However, deposition of one hydrogen atom inside the fully hydrogenated fullerenes cannot be distinguished. The obtained spectral structures are analyzed and are compared with available experimental results.

Comparison of laser-based mitigation of fused silica surface damage using mid- versus far-infrared lasers

Energy Technology Data Exchange (ETDEWEB)

Yang, S T; Matthews, M J; Elhadj, S; Cooke, D; Guss, G M; Draggoo, V G; Wegner, P J

2009-12-16

Laser induced growth of optical damage can limit component lifetime and therefore operating costs of large-aperture fusion-class laser systems. While far-infrared (IR) lasers have been used previously to treat laser damage on fused silica optics and render it benign, little is known about the effectiveness of less-absorbing mid-IR lasers for this purpose. In this study, they quantitatively compare the effectiveness and efficiency of mid-IR (4.6 {micro}m) versus far-IR (10.6 {micro}m) lasers in mitigating damage growth on fused silica surfaces. The non-linear volumetric heating due to mid-IR laser absorption is analyzed by solving the heat equation numerically, taking into account the temperature-dependent absorption coefficient {alpha}(T) at {lambda} = 4.6 {micro}m, while far-IR laser heating is well-described by a linear analytic approximation to the laser-driven temperature rise. In both cases, the predicted results agree well with surface temperature measurements based on infrared radiometry, as well as sub-surface fictive temperature measurements based on confocal Raman microscopy. Damage mitigation efficiency is assessed using a figure of merit (FOM) relating the crack healing depth to laser power required, under minimally-ablative conditions. Based on their FOM, they show that for cracks up to at least 500 {micro}m in depth, mitigation with a 4.6 {micro}m mid-IR laser is more efficient than mitigation with a 10.6 {micro}m far-IR laser. This conclusion is corroborated by direct application of each laser system to the mitigation of pulsed laser-induced damage possessing fractures up to 225 {micro}m in depth.

Evaluation of a setting reaction pathway in the novel composite TiHA-CSD bone cement by FT-Raman and FT-IR spectroscopy

Science.gov (United States)

Paluszkiewicz, Czesława; Czechowska, Joanna; Ślósarczyk, Anna; Paszkiewicz, Zofia

2013-02-01

The aim of this study was to determine a setting reaction pathway in a novel, surgically handy implant material, based on calcium sulfate hemihydrate (CSH) and titanium doped hydroxyapatite (TiHA). The previous studies confirmed superior biological properties of TiHA in comparison to the undoped hydroxyapatite (HA) what makes it highly attractive for future medical applications. In this study the three types of titanium modified HA powders: untreated, calcined at 800 °C, sintered at 1250 °C and CSH were used to produce bone cements. The Fourier Transform-InfraRed (FT-IR) spectroscopy and Raman spectroscopy were applied to evaluate processes taking place during the setting of the studied materials. Our results undoubtedly confirmed that the reaction pathways and the phase compositions differed significantly for set cements and were dependent on the initial heat treatment of TiHA powder. Final materials were multiphase composites consisting of calcium sulfate dihydrate, bassanite, tricalcium phosphate, hydroxyapatite and calcium titanate (perovskite). The FT-IR and Scanning Electron Microscopy (SEM) measurements performed after the incubation of the cement samples in the simulated body fluid (SBF), indicate on high bioactive potential of the obtained bone cements.

Simple methods via Mid-IR or {sup 1}H NMR spectroscopy for the determination of the iodine value of vegetable oils

Energy Technology Data Exchange (ETDEWEB)

Shimamoto, Gustavo G.; Favaro, Martha M.A.; Tubino, Matthieu, E-mail: tubino@iqm.unicamp.br [Universidade Estadual de Campinas (UNICAMP), Campinas, SP (Brazil). Instituto de Química

2015-07-01

Two methods for determining the iodine value in vegetable oils are described. One employs mid-infrared (mid-IR) spectroscopy and the other uses hydrogen nuclear magnetic resonance ({sup 1}H NMR). The determination of the iodine value is based on either the transmittance intensity of mid-IR signals or on the {sup 1}H NMR signal integration and multivariate calibration. Both of the methods showed adequate coefficients of determination (r{sup 2} = 0.9974 and 0.9978, respectively) when compared to Wijs method, which is recommended by the norm EN 14111. A statistical comparison between the results from the proposed methods and from Wijs method shows that both instrumental methods offer equivalent results and greater precision compared to Wijs method. The regressions obtained from the constructed models were considered statistically significant and useful for making predictions. The proposed methods present several advantages compared to Wijs method because they significantly reduce analysis time, reagent consumption and waste generation. Furthermore, an analyst can choose between the mid-IR or {sup 1}H NMR to determine the iodine value. (author)

Bolometers for far-infrared and submillimetre astronomy

International Nuclear Information System (INIS)

Griffin, M.J.

2000-01-01

Important scientific goals of far-infrared and submillimetre astronomy include measurements of anisotropies in the cosmic background radiation, deep imaging surveys for detection of high-red-shift galaxies, and imaging and spectroscopy of star formation regions and the interstellar medium in the milky way and nearby galaxies. Use of sensitive bolometer arrays leads to very large improvements in observing speed. Recent progress in the development of bolometric detector systems for ground-based and space-borne far-infrared and submillimetre astronomical observations is reviewed, including spider-web NTD bolometers, transition-edge superconducting sensors, and micromachined planar arrays of ion-implanted silicon bolometers. Future arrays may be based on planar absorbers without feedhorns, which offer potential advantages including more efficient use of space in the focal plane and improved instantaneous sampling of the telescope point spread function, but present challenges in suppression of stray light and RF interference. FIRST and Planck Surveyor are planned satellite missions involving passively cooled (∼70 K) telescopes, and bolometer array developments for these missions are described

Radioluminescence dating: the IR emission of feldspar

International Nuclear Information System (INIS)

Schilles, Thomas.; Habermann, Jan

2000-01-01

A new luminescence reader for radioluminescence (RL) measurements is presented. The system allows detection of RL emissions in the near infrared region (IR). Basic bleaching properties of the IR-RL emission of feldspars are investigated. Sunlight-bleaching experiments as a test for sensitivity changes are presented. IR-bleaching experiments were carried out to obtain information about the underlying physical processes of the IR-RL emission

SAPhIR: a fission-fragment detector

International Nuclear Information System (INIS)

Theisen, Ch.; Gautherin, C.; Houry, M.; Korten, W.; Le Coz, Y.; Lucas, R.; Barreau, G.; Doan, T. P.; Belier, G.; Meot, V.; Ethvignot, Th.; Cahan, B.; Le Coguie, A.; Coppolani, X.; Delaitre, B.; Le Bourlout, P.; Legou, Ph.; Maillard, O.; Durand, G.; Bouillac, A.

1998-01-01

SAPhIR is the acronym for S a clay A q uitaine P ho tovoltaic cells for I s omer R e search. It consists of solar cells, used for fission-fragment detection. It is a collaboration between 3 laboratories: CEA Saclay, CENBG Bordeaux and CEA Bruyeres le Chatel. The coupling of a highly efficient fission-fragment detector like SAPhIR with EUROBALL will provide new insights in the study of very deformed nuclear matter and in the spectroscopy of neutron-rich nuclei

Analysis of ecstasy in oral fluid by ion mobility spectrometry and infrared spectroscopy after liquid-liquid extraction.

Science.gov (United States)

Armenta, Sergio; Garrigues, Salvador; de la Guardia, Miguel; Brassier, Judit; Alcalà, Manel; Blanco, Marcelo

2015-03-06

We developed and evaluated two different strategies for determining abuse drugs based on (i) the analysis of saliva by ion mobility spectrometry (IMS) after thermal desorption and (ii) the joint use of IMS and infrared (IR) spectroscopy after liquid-liquid microextraction (LLME) to enable the sensitivity-enhanced detection and double confirmation of ecstasy (MDMA) abuse. Both strategies proved effective for the intended purpose. Analysing saliva by IMS after thermal desorption, which provides a limit of detection (LOD) of 160μgL(-1), requires adding 0.2M acetic acid to the sample and using the truncated negative second derivative of the ion mobility spectrum. The joint use of IMS and IR spectroscopy after LLME provides an LOD of 11μgL(-1) with the former technique and 800μgL(-1) with the latter, in addition to a limit of confirmation (LOC) of 1.5mgL(-1). Using IMS after thermal desorption simplifies the operational procedure, and using it jointly with IR spectroscopy after LLME allows double confirmation of MDMA abuse with two techniques based on different principles (viz., IMS drift times and IR spectra). Also, it affords on-site analyses, albeit at a lower throughput. Copyright © 2015 Elsevier B.V. All rights reserved.

FT-IR spectroscopy of lipoproteins—A comparative study

Science.gov (United States)

Krilov, Dubravka; Balarin, Maja; Kosović, Marin; Gamulin, Ozren; Brnjas-Kraljević, Jasminka

2009-08-01

FT-IR spectra, in the frequency region 4000-600 cm -1, of four major lipoprotein classes: very low density lipoprotein (VLDL), low density lipoprotein (LDL) and two subclasses of high density lipoproteins (HDL 2 and HDL 3) were analyzed to obtain their detailed spectral characterization. Information about the protein domain of particle was obtained from the analysis of amide I band. The procedure of decomposition and curve fitting of this band confirms the data already known about the secondary structure of two different apolipoproteins: apo A-I in HDL 2 and HDL 3 and apo B-100 in LDL and VLDL. For information about the lipid composition and packing of the particular lipoprotein the well expressed lipid bands in the spectra were analyzed. Characterization of spectral details in the FT-IR spectrum of natural lipoprotein is necessary to study the influence of external compounds on its structure.

Geographic identification of Boletus mushrooms by data fusion of FT-IR and UV spectroscopies combined with multivariate statistical analysis

Science.gov (United States)

Yao, Sen; Li, Tao; Li, JieQing; Liu, HongGao; Wang, YuanZhong

2018-06-01

Boletus griseus and Boletus edulis are two well-known wild-grown edible mushrooms which have high nutrition, delicious flavor and high economic value distributing in Yunnan Province. In this study, a rapid method using Fourier transform infrared (FT-IR) and ultraviolet (UV) spectroscopies coupled with data fusion was established for the discrimination of Boletus mushrooms from seven different geographical origins with pattern recognition method. Initially, the spectra of 332 mushroom samples obtained from the two spectroscopic techniques were analyzed individually and then the classification performance based on data fusion strategy was investigated. Meanwhile, the latent variables (LVs) of FT-IR and UV spectra were extracted by partial least square discriminant analysis (PLS-DA) and two datasets were concatenated into a new matrix for data fusion. Then, the fusion matrix was further analyzed by support vector machine (SVM). Compared with single spectroscopic technique, data fusion strategy can improve the classification performance effectively. In particular, the accuracy of correct classification of SVM model in training and test sets were 99.10% and 100.00%, respectively. The results demonstrated that data fusion of FT-IR and UV spectra can provide higher synergic effect for the discrimination of different geographical origins of Boletus mushrooms, which may be benefit for further authentication and quality assessment of edible mushrooms.

The SOFIA/SAFIRE Far-Infrared Spectrometer: Highlighting Submillimeter Astrophysics and Technology

Science.gov (United States)

Benford, Dominic J.

2009-01-01

The Submillimeter and Far-InfraRed Experiment (SAFIRE) on the SOFIA airborne observatory is an imaging spectrometer for wavelengths between 28 microns and 440 microns. Our design is a dual-band long-slit grating spectrometer, which provides broadband (approx. 4000 km/s) observations in two lines simultaneously over a field of view roughly 10" wide by 320" long. The low backgrounds in spectroscopy require very sensitive detectors with noise equivalent powers of order 10(exp -18) W/square root of Hz. We are developing a kilopixel, filled detector array for SAFIRE in a 32 x 40 format. The detector consists of a transition edge sensor (TES) bolometer array, a per-pixel broadband absorbing backshort array, and a NIST SQUID multiplexer readout array. This general type of array has been used successfully in the GISMO instrument, so we extrapolate to the sensitivity needed for airborne spectroscopy. Much of the cryogenic, electronics, and software infrastructure for SAFIRE have been developed. I provide here an overview of the progress on SAFIRE.

Study on IR Properties of Reduced Graphene Oxide

Science.gov (United States)

Ma, Deyue; Li, Xiaoxia; Guo, Yuxiang; Zeng, Yurun

2018-01-01

Firstly, the reduced graphene oxide was prepared by modified hummer method and characterized. Then, the complex refractive index of reduced graphene oxide in IR band was tested and its IR absorption and radiation properties were researched by correlated calculation. The results show that reduced graphene oxide prepared by hummer method are multilayered graphene with defects and functional groups on its surface. Its absorption in near and far IR bands is strong, but it’s weaker in middle IR band. At the IR atmosphere Window, its normal spectral emissivity decreases with wavelength increasing, and its total normal spectral emissivity in 3 ∼ 5μm and 8 ∼ 14μm are 0.75 and 0.625, respectively. Therefore, reduced graphene oxide can be used as IR absorption and coating materials and have a great potential in microwave and infrared compatible materials.

Sensitivity of Raman spectroscopy to normal patient variability

Science.gov (United States)

Vargis, Elizabeth; Byrd, Teresa; Logan, Quinisha; Khabele, Dineo; Mahadevan-Jansen, Anita

2011-11-01

Many groups have used Raman spectroscopy for diagnosing cervical dysplasia; however, there have been few studies looking at the effect of normal physiological variations on Raman spectra. We assess four patient variables that may affect normal Raman spectra: Race/ethnicity, body mass index (BMI), parity, and socioeconomic status. Raman spectra were acquired from a diverse population of 75 patients undergoing routine screening for cervical dysplasia. Classification of Raman spectra from patients with a normal cervix is performed using sparse multinomial logistic regression (SMLR) to determine if any of these variables has a significant effect. Results suggest that BMI and parity have the greatest impact, whereas race/ethnicity and socioeconomic status have a limited effect. Incorporating BMI and obstetric history into classification algorithms may increase sensitivity and specificity rates of disease classification using Raman spectroscopy. Studies are underway to assess the effect of these variables on disease.

TPD IR studies of CO desorption from zeolites CuY and CuX

Science.gov (United States)

Datka, Jerzy; Kozyra, Paweł

2005-06-01

The desorption of CO from zeolites CuY and CuX was followed by TPD-IR method. This is a combination of temperature programmed desorption and IR spectroscopy. In this method, the status of activated zeolite (before adsorption), the process of adsorption, and the status of adsorbed molecules can be followed by IR spectroscopy, and the process of desorption (with linear temperature increase) can be followed both by IR spectroscopy and by mass spectrometry. IR spectra have shown two kinds of Cu + sites in both CuY and CuX. Low frequency (l.f.) band (2140 cm -1 in CuY and 2130 cm -1 in CuX) of adsorbed CO represents Cu + sites for which π back donation is stronger and σ donation is weaker whereas high frequency h.f. band (2160 cm -1 in CuY and 2155 cm -1 in CuX) represent Cu + sites for which π back donation is weaker and σ donation is stronger. The TPD-IR experiments evidenced that the Cu + sites represented by l.f. band bond CO more weakly than those represented by h.f. one, indicating that σ donation has more important impact to the strength of Cu +-CO bonding. On the contrary, π back donation has bigger contribution to the activation of adsorbed molecules.

HST/WFC3 Characteristics: gain, post-flash stability, UVIS low-sensitivity pixels, persistence, IR flats and bad pixel table

Science.gov (United States)

Gunning, Heather C.; Baggett, Sylvia; Gosmeyer, Catherine M.; Long, Knox S.; Ryan, Russell E.; MacKenty, John W.; Durbin, Meredith

2015-08-01

The Wide Field Camera 3 (WFC3) is a fourth-generation imaging instrument on the Hubble Space Telescope (HST). Installed in May 2009, WFC3 is comprised of two observational channels covering wavelengths from UV/Visible (UVIS) to infrared (IR); both have been performing well on-orbit. We discuss the gain stability of both WFC3 channel detectors from ground testing through present day. For UVIS, we detail a low-sensitivity pixel population that evolves during the time between anneals, but is largely reset by the annealing procedure. We characterize the post-flash LED lamp stability, used and recommended to mitigate CTE effects for observations with less than 12e-/pixel backgrounds. We present mitigation options for IR persistence during and after observations. Finally, we give an overview on the construction of the IR flats and provide updates on the bad pixel table.

Detection of Soluble and Fixed NH4+ in Clay Minerals by DTA and IR Reflectance Spectroscopy : A Potential Tool for Planetary Surface Exploration

Science.gov (United States)

Janice, Bishop; Banin, A.; Mancinelli, R. L.; Klovstad, M. R.; DeVincenzi, Donald L. (Technical Monitor)

2001-01-01

Nitrogen is an essential element for life. It is the only element among the six major biogenic elements, C, O, S, O, P, H, whose presence in the Martian soil has not been positively and directly established. We describe here a study assessing the ability to detect NH4 in soils by two methods: differential thermal analysis (DTA) and infrared (IR) reflectance spectroscopy. Four standard clay minerals (kaolinite, montmorillonite, illite and attapulgite) and an altered tephra sample from Mauna Kea were treated with NH4 in this study. Samples of the NH4-treated and leached clays were analyzed by DTA and infrared (IR) reflectance spectroscopy to quantify the delectability of soluble and sorbed/fixed NH4. An exotherm at 270-280 C was clearly detected in the DTA curves of NH4-treated (non-leached) samples. This feature is assigned to the thermal decomposition reaction of NH4. Spectral bands observed at 1.56, 2.05, 2.12, 3.06, 3.3, 3.5, 5.7 and 7.0 microns in the reflectance spectra of NH4-treated and leached samples are assigned to the sorbed/fixed ammonium in the clays. The montmorillonite has shown the most intense absorbance due to fixed ammonium among the leached samples in this study, as a result of its high cation sorption capacity. It is concluded that the presence of sorbed or fixed NH4 in clays may be detected by infrared (IR) reflectance or emission spectroscopy. Distinction between soluble and sorbed NH4 may be achieved through the presence or absence of several spectral features assigned to the sorbed NH4 moietyi and, specifically, by use of the 4.2 micrometer feature assigned to solution NH4. Thermal analyses furnish supporting evidence of ammonia in our study through detection of N released at temperatures of 270-330 C. Based on these results it is estimated that IR spectra measured from a rover should be able to detect ammonia if present above 20 mg NH4/g sample in the surface layers. Orbital IR spectra and thermal analyses measured on a rover may be able to

Cross-calibration of far UV spectra of solar system objects and the heliosphere

CERN Document Server

Snow, Martin; Bonnet, Roger-Maurice

2013-01-01

This book is the result of a working group sponsored by ISSI in Bern, which was initially created to study possible ways to calibrate a Far Ultraviolet (FUV) instrument after launch. In most cases, ultraviolet instruments are well calibrated on the ground, but unfortunately, optics and detectors in the FUV are very sensitive to contaminants and it is very challenging to prevent contamination before and during the test and launch sequences of a space mission. Therefore, ground calibrations need to be confirmed after launch and it is necessary to keep track of the temporal evolution of the sensitivity of the instrument during the mission. The studies presented here cover various fields of FUV spectroscopy with the exclusion of direct solar UV spectroscopy, including a catalog of stellar spectra, data-sets of lunar Irradiance, observations of comets and measurements of the interplanetary background. Detailed modeling of the interplanetary background is presented as well. This work also includes comparisons of ol...

On formation mechanism of Pd-Ir bimetallic nanoparticles through thermal decomposition of [Pd(NH{sub 3}){sub 4}][IrCl{sub 6}

Energy Technology Data Exchange (ETDEWEB)

Asanova, Tatyana I., E-mail: nti@niic.nsc.ru; Asanov, Igor P. [Nikolaev Institute of Inorganic Chemistry SB RAS (Russian Federation); Kim, Min-Gyu [Pohang University of Science and Technology, Beamline Research Division (Korea, Republic of); Gerasimov, Evgeny Yu. [Boreskov Institute of Catalysis SB RAS (Russian Federation); Zadesenets, Andrey V.; Plyusnin, Pavel E.; Korenev, Sergey V. [Nikolaev Institute of Inorganic Chemistry SB RAS (Russian Federation)

2013-10-15

The formation mechanism of Pd-Ir nanoparticles during thermal decomposition of double complex salt [Pd(NH{sub 3}){sub 4}][IrCl{sub 6}] has been studied by in situ X-ray absorption (XAFS) and photoelectron (XPS) spectroscopies. The changes in the structure of the Pd and Ir closest to the surroundings and chemical states of Pd, Ir, Cl, and N atoms were traced in the range from room temperature to 420 Degree-Sign C in inert atmosphere. It was established that the thermal decomposition process is carried out in 5 steps. The Pd-Ir nanoparticles are formed in pyramidal/rounded Pd-rich (10-200 nm) and dendrite Ir-rich (10-50 nm) solid solutions. A d charge depletion at Ir site and a gain at Pd, as well as the intra-atomic charge redistribution between the outer d and s and p electrons of both Ir and Pd in Pd-Ir nanoparticles, were found to occur.Graphical Abstract.

FAR-INFRARED LINE SPECTRA OF SEYFERT GALAXIES FROM THE HERSCHEL-PACS SPECTROMETER

International Nuclear Information System (INIS)

Spinoglio, Luigi; Pereira-Santaella, Miguel; Busquet, Gemma; Dasyra, Kalliopi M.; Calzoletti, Luca; Malkan, Matthew A.; Tommasin, Silvia

2015-01-01

We observed the far-IR fine-structure lines of 26 Seyfert galaxies with the Herschel-PACS spectrometer. These observations are complemented with Spitzer Infrared Spectrograph and Herschel SPIRE spectroscopy. We used the ionic lines to determine electron densities in the ionized gas and the [C I] lines, observed with SPIRE, to measure the neutral gas densities, while the [O I] lines measure the gas temperature, at densities below ∼10 4  cm –3 . Using the [O I]145 μm/63 μm and [S III]33/18 μm line ratios, we find an anti-correlation of the temperature with the gas density. Various fine-structure line ratios show density stratifications in these active galaxies. On average, electron densities increase with the ionization potential of the ions. The infrared lines arise partly in the narrow line region, photoionized by the active galactic nucleus (AGN), partly in H II regions photoionized by hot stars, and partly in photo-dissociated regions. We attempt to separate the contributions to the line emission produced in these different regions by comparing our observed emission line ratios to theoretical values. In particular, we tried to separate the contribution of AGNs and star formation by using a combination of Spitzer and Herschel lines, and we found that besides the well-known mid-IR line ratios, the line ratio of [O III]88 μm/[O IV]26 μm can reliably discriminate the two emission regions, while the far-IR line ratio of [C II]157 μm/[O I]63 μm is only able to mildly separate the two regimes. By comparing the observed [C II]157 μm/[N II]205 μm ratio with photoionization models, we also found that most of the [C II] emission in the galaxies we examined is due to photodissociation regions

FAR-INFRARED LINE SPECTRA OF SEYFERT GALAXIES FROM THE HERSCHEL-PACS SPECTROMETER

Energy Technology Data Exchange (ETDEWEB)

Spinoglio, Luigi; Pereira-Santaella, Miguel; Busquet, Gemma [Istituto di Astrofisica e Planetologia Spaziali, INAF, Via Fosso del Cavaliere 100, I-00133 Roma (Italy); Dasyra, Kalliopi M. [Observatoire de Paris, LERMA (CNRS:UMR8112), 61 Av. de l' Observatoire, F-75014, Paris (France); Calzoletti, Luca [Agenzia Spaziale Italiana (ASI) Science Data Center, I-00044 Frascati (Roma) (Italy); Malkan, Matthew A. [Astronomy Division, University of California, Los Angeles, CA 90095-1547 (United States); Tommasin, Silvia, E-mail: luigi.spinoglio@iaps.inaf.it [Weizmann Institute of Science, Department of Neurobiology, Rehovot 76100 (Israel)

2015-01-20

We observed the far-IR fine-structure lines of 26 Seyfert galaxies with the Herschel-PACS spectrometer. These observations are complemented with Spitzer Infrared Spectrograph and Herschel SPIRE spectroscopy. We used the ionic lines to determine electron densities in the ionized gas and the [C I] lines, observed with SPIRE, to measure the neutral gas densities, while the [O I] lines measure the gas temperature, at densities below ∼10{sup 4} cm{sup –3}. Using the [O I]145 μm/63 μm and [S III]33/18 μm line ratios, we find an anti-correlation of the temperature with the gas density. Various fine-structure line ratios show density stratifications in these active galaxies. On average, electron densities increase with the ionization potential of the ions. The infrared lines arise partly in the narrow line region, photoionized by the active galactic nucleus (AGN), partly in H II regions photoionized by hot stars, and partly in photo-dissociated regions. We attempt to separate the contributions to the line emission produced in these different regions by comparing our observed emission line ratios to theoretical values. In particular, we tried to separate the contribution of AGNs and star formation by using a combination of Spitzer and Herschel lines, and we found that besides the well-known mid-IR line ratios, the line ratio of [O III]88 μm/[O IV]26 μm can reliably discriminate the two emission regions, while the far-IR line ratio of [C II]157 μm/[O I]63 μm is only able to mildly separate the two regimes. By comparing the observed [C II]157 μm/[N II]205 μm ratio with photoionization models, we also found that most of the [C II] emission in the galaxies we examined is due to photodissociation regions.

Study of transition metal cations state on the catalyst surface by IR-spectroscopy of adsorbed test-molecules (CO, NO)

International Nuclear Information System (INIS)

Davydov, A.A.

1993-01-01

Using the methods of IR spectroscopy and ESR spectral manifestations of CO and NO in complexes with cations of vanadium in different oxidation degrees and coordination states have been studied. V 5+ cations do not coordinate NO and CO, but coordinate ammonia. Regular decrease of νCO values in V n+ -CO complexes with vanadium oxidation degree decrease has been shown. Spectral manifestation of NO complexes with V 4+ and V 3+ have been followed. The formation of V 4+ -NO, V 3+ -NO and V 3+ (NO) complexes has been established

Measured and Modeled Downwelling Far-Infrared Radiances in Very Dry Environments and Calibration Requirements for Future Experiments

Science.gov (United States)

Mast, J. C.; Mlynczak, M. G.; Cageao, R.; Kratz, D. P.; Latvakoski, H.; Johnson, D. G.; Mlawer, E. J.; Turner, D. D.

2016-12-01

Downwelling radiances measured by the Far-Infrared Spectroscopy of the Troposphere (FIRST) instrument in an environment with integrated precipitable water as low as 0.03 cm are compared with calculated spectra in the far-infrared and mid-infrared. In its current ground-based configuration FIRST was deployed to 5.38 km on Cerro Toco, a mountain in the Atacama Desert of Chile, from August to October 2009. There FIRST took part in the Radiative Heating in Unexplored Bands Campaign Part 2. Water vapor and temperature profiles from an optimal-estimation-based physical retrieval algorithm (using simultaneous radiosonde and multichannel 183 GHz microwave radiometer measurements) are input to the AER Line-by-Line Radiative Transfer Model (LBLRTM) to compute radiances for comparison with FIRST. The AER v3.4 line parameter database is used. The low water vapor amounts and relatively cold atmosphere result in extremely small far-IR radiances (1.5 mW/m2/sr/cm-1) with corresponding brightness temperatures of 120 K. The residual LBLRTM minus FIRST is calculated to assess agreement between the measured and modeled spectra. Uncertainties in both the measured and modeled radiances are accounted for in the comparison. A goal of the deployment and subsequent analysis is the assessment of water vapor spectroscopy in the far-infrared and mid-infrared. While agreement is found between measured and modeled radiances within the combined uncertainties across all spectra, uncertainties in the measured water vapor profiles and from the laboratory calibration exceed those associated with water vapor spectroscopy in this very low radiance environment. Consequently, no improvement in water vapor spectroscopy is afforded by these measurements. However, we use these results to place requirements on instrument calibration accuracy and water vapor profile accuracy for future campaigns to similarly dry environments. Instrument calibration uncertainty needs to be at 2% (1-sigma) of measured radiance

Resolving molecular vibronic structure using high-sensitivity two-dimensional electronic spectroscopy

Energy Technology Data Exchange (ETDEWEB)

Bizimana, Laurie A.; Brazard, Johanna; Carbery, William P.; Gellen, Tobias; Turner, Daniel B., E-mail: dturner@nyu.edu [Department of Chemistry, New York University, 100 Washington Square East, New York, New York 10003 (United States)

2015-10-28

Coherent multidimensional optical spectroscopy is an emerging technique for resolving structure and ultrafast dynamics of molecules, proteins, semiconductors, and other materials. A current challenge is the quality of kinetics that are examined as a function of waiting time. Inspired by noise-suppression methods of transient absorption, here we incorporate shot-by-shot acquisitions and balanced detection into coherent multidimensional optical spectroscopy. We demonstrate that implementing noise-suppression methods in two-dimensional electronic spectroscopy not only improves the quality of features in individual spectra but also increases the sensitivity to ultrafast time-dependent changes in the spectral features. Measurements on cresyl violet perchlorate are consistent with the vibronic pattern predicted by theoretical models of a highly displaced harmonic oscillator. The noise-suppression methods should benefit research into coherent electronic dynamics, and they can be adapted to multidimensional spectroscopies across the infrared and ultraviolet frequency ranges.

Hyphenation of infrared spectroscopy to liquid chromatography for qualitative and quantitative polymer analysis: Degradation of poly(bisphenol A)carbonate

NARCIS (Netherlands)

Coulier, L.; Kaal, E.; Hankemeier, T.

2006-01-01

Hyphenation of infrared spectroscopy (IR) to liquid chromatography (LC) has been applied to study chemical changes in poly(bisphenol A)carbonate (PC) as a result of degradation. Especially coupling of LC to FTIR through solvent elimination is a sensitive approach to identify changes in functionality

Optical Determination of Lead Chrome Green in Green Tea by Fourier Transform Infrared (FT-IR Transmission Spectroscopy.

Directory of Open Access Journals (Sweden)

Xiaoli Li

Full Text Available The potential of Fourier transform infrared (FT-IR transmission spectroscopy for determination of lead chrome green in green tea was investigated based on chemometric methods. Firstly, the qualitative analysis of lead chrome green in tea was performed based on partial least squares discriminant analysis (PLS-DA, and the correct rate of classification was 100%. And then, a hybrid method of interval partial least squares (iPLS regression and successive projections algorithm (SPA was proposed to select characteristic wavenumbers for the quantitative analysis of lead chrome green in green tea, and 19 wavenumbers were obtained finally. Among these wavenumbers, 1384 (C = C, 1456, 1438, 1419(C = N, and 1506 (CNH cm-1 were the characteristic wavenumbers of lead chrome green. Then, these 19 wavenumbers were used to build determination models. The best model was achieved by least squares support vector machine (LS-SVMalgorithm with high coefficient of determination and low root-mean square error of prediction set (R2p = 0.864 and RMSEP = 0.291. All these results indicated the feasibility of IR spectra for detecting lead chrome green in green tea.

The Herschel-PACS Legacy of Low-mass Protostars: The Properties of Warm and Hot Gas Components and Their Origin in Far-UV Illuminated Shocks

Science.gov (United States)

Karska, Agata; Kaufman, Michael J.; Kristensen, Lars E.; van Dishoeck, Ewine F.; Herczeg, Gregory J.; Mottram, Joseph C.; Tychoniec, Łukasz; Lindberg, Johan E.; Evans, Neal J., II; Green, Joel D.; Yang, Yao-Lun; Gusdorf, Antoine; Itrich, Dominika; Siódmiak, Natasza

2018-04-01

Recent observations from Herschel allow the identification of important mechanisms responsible both for the heating of the gas that surrounds low-mass protostars and for its subsequent cooling in the far-infrared. Shocks are routinely invoked to reproduce some properties of the far-IR spectra, but standard models fail to reproduce the emission from key molecules, e.g., H2O. Here, we present the Herschel Photodetector Array Camera and Spectrometer (PACS) far-IR spectroscopy of 90 embedded low-mass protostars (Class 0/I). The Herschel-PACS spectral maps, covering ∼55–210 μm with a field of view of ∼50″, are used to quantify the gas excitation conditions and spatial extent using rotational transitions of H2O, high-J CO, and OH, as well as [O I] and [C II]. We confirm that a warm (∼300 K) CO reservoir is ubiquitous and that a hotter component (760 ± 170 K) is frequently detected around protostars. The line emission is extended beyond ∼1000 au spatial scales in 40/90 objects, typically in molecular tracers in Class 0 and atomic tracers in Class I objects. High-velocity emission (≳90 km s‑1) is detected in only 10 sources in the [O I] line, suggesting that the bulk of [O I] arises from gas that is moving slower than typical jets. Line flux ratios show an excellent agreement with models of C-shocks illuminated by ultraviolet (UV) photons for pre-shock densities of ∼105 cm‑3 and UV fields 0.1–10 times the interstellar value. The far-IR molecular and atomic lines are a unique diagnostic of feedback from UV emission and shocks in envelopes of deeply embedded protostars.

Sensitivity-enhanced 13C MR spectroscopy of the human brain at 3 Tesla.

NARCIS (Netherlands)

Klomp, D.W.J.; Renema, W.K.J.; Graaf, M. de; Galan, B.E. de; Kentgens, A.P.M.; Heerschap, A.

2006-01-01

A new coil design for sensitivity-enhanced 13C MR spectroscopy (MRS) of the human brain is presented. The design includes a quadrature transmit/receive head coil optimized for 13C MR sensitivity. Loss-less blocking circuits inside the coil conductors allow this coil to be used inside a homogeneous

Sensitivity-enhanced C-13 MR spectroscopy of the human brain at 3 Tesla

NARCIS (Netherlands)

Klomp, D.W.J.; Renema, W.K.J.; Graaf, M. van der; Galan, B.E. de; Kentgens, A.P.M.; Heerschap, A.

2006-01-01

A new coil design for sensitivity-enhanced C-13 MR spectroscopy (MRS) of the human brain is presented. The design includes a quadrature transmit/receive head coil optimized for C-13 MR sensitivity. Loss-less blocking circuits inside the coil conductors allow this coil to be used inside a homogeneous

Soft-mode-driven lattice instabilities in Cs.sub.2./sub.HgCl.sub.4./sub. crystal: phenomenological treatment and far-infrared spectroscopy of the structurally modulated phases

Czech Academy of Sciences Publication Activity Database

Shchur, Y.; Kamba, Stanislav; Parasyuk, O.V.; Kityk, A.V.

2012-01-01

Roč. 24, č. 24 (2012), 1-15 ISSN 0953-8984 R&D Projects: GA ČR GAP204/12/1163 Institutional research plan: CEZ:AV0Z10100520 Keywords : incommensurate phase transitions * phonons * IR spectroscopy Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 2.355, year: 2012

WW domain folding complexity revealed by infrared spectroscopy.

Science.gov (United States)

Davis, Caitlin M; Dyer, R Brian

2014-09-02

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

A sensitivity study of the thermomechanical far-field model of Yucca Mountain

International Nuclear Information System (INIS)

Brandshaug, T.

1991-04-01

A sensitivity study has been conducted investigating the predicted thermal and mechanical behavior of the far-field model of a proposed nuclear waste repository at Yucca Mountain. The model input parameters and phenomena that have been investigated include areal power density, thermal conductivity, specific heat capacity, material density, pore water boiling, stratigraphic and topographic simplifications Young's modulus, Poisson's ratio, coefficient of thermal expansion, in situ stress, rock matrix cohesion, rock matrix angle of internal friction, rock joint cohesion, and rock joint angle of internal friction. Using the range in values currently associated with these parameters, predictions were obtained for rock temperatures, stresses, matrix failure, and joint activity throughout the far-field model. Results show that the range considered for the areal power density has the most significant effect on the predicted rock temperatures. The range considered for the in situ stress has the most significant effect on the prediction of rock stresses and factors-of-safety for the matrix and joints. Predictions of matrix and joint factors-of-safety are also influenced significantly by the use of stratigraphic and topographic simplifications. 16 refs., 75 figs., 13 tabs

Vibrational Spectroscopy of Ionic Liquids.

Science.gov (United States)

Paschoal, Vitor H; Faria, Luiz F O; Ribeiro, Mauro C C

2017-05-24

Vibrational spectroscopy has continued use as a powerful tool to characterize ionic liquids since the literature on room temperature molten salts experienced the rapid increase in number of publications in the 1990's. In the past years, infrared (IR) and Raman spectroscopies have provided insights on ionic interactions and the resulting liquid structure in ionic liquids. A large body of information is now available concerning vibrational spectra of ionic liquids made of many different combinations of anions and cations, but reviews on this literature are scarce. This review is an attempt at filling this gap. Some basic care needed while recording IR or Raman spectra of ionic liquids is explained. We have reviewed the conceptual basis of theoretical frameworks which have been used to interpret vibrational spectra of ionic liquids, helping the reader to distinguish the scope of application of different methods of calculation. Vibrational frequencies observed in IR and Raman spectra of ionic liquids based on different anions and cations are discussed and eventual disagreements between different sources are critically reviewed. The aim is that the reader can use this information while assigning vibrational spectra of an ionic liquid containing another particular combination of anions and cations. Different applications of IR and Raman spectroscopies are given for both pure ionic liquids and solutions. Further issues addressed in this review are the intermolecular vibrations that are more directly probed by the low-frequency range of IR and Raman spectra and the applications of vibrational spectroscopy in studying phase transitions of ionic liquids.

Ferredoxin-dependent and antimycin A-sensitive reduction of cytochrome b-559 by far-red light in maize [Zea mays] thylakoids; participation of a meladiol-reducible cytochrome b-559 in cyclic electron flow

International Nuclear Information System (INIS)

Miyake, C.; Schreiber, U.; Asada, K.

1995-01-01

Thylakoids from mesophyll cells of maize showed a high rate of the ferredoxin (Fd)-dependent and antimycin A (AntiA)-sensitive cyclic electron flow as determined by the quenching of 9-aminoacridine fluorescence which indicates the formation of ΔpH across the membranes. Spectrophotometric survey of the thylakoids showed the reduction of a Cyt having an α-peak at 559 nm [Cyt b-559(Fd)] by far-red light, which depended on Fd and was sensitive to AntiA. Dose dependencies of Fd and AntiA on the photoreduction of Cyt b-559(Fd) were the same as those of the formation of ΔpH. Cyt b-559(Fd) occurred in an oxidized form even in the presence of ascorbate and was reduced by far-red light. In darkness, it was reduced only by menadiol (E m,7 = –10mV). Thus, Cyt b-559(Fd) was distinguished from Cyt b-559 in the PSII complex by its low redox potential. The present results indicate that Cyt b-559(Fd) mediates electron transfer from Fd to plastoquinone during Fd-dependent cyclic electron flow around PSI. (author)

Imaging of lipids in atherosclerotic lesion in aorta from ApoE/LDLR-/- mice by FT-IR spectroscopy and Hierarchical Cluster Analysis.

Science.gov (United States)

P Wrobel, Tomasz; Mateuszuk, Lukasz; Chlopicki, Stefan; Malek, Kamilla; Baranska, Malgorzata

2011-12-21

Spectroscopy-based approaches can provide an insight into the biochemical composition of a tissue sample. In the present work Fourier transform infrared (FT-IR) spectroscopy was used to develop a reliable methodology to study the content of free fatty acids, triglycerides, cholesteryl esters as well as cholesterol in aorta from mice with atherosclerosis (ApoE/LDLR(-/-) mice). In particular, distribution and concentration of palmitic, oleic and linoleic acid derivatives were analyzed. Spectral analysis of pure compounds allowed for clear discrimination between free fatty acids and other similar moieties based on the carbonyl band position (1699-1710 cm(-1) range). In order to distinguish cholesteryl esters from triglycerides a ratio of carbonyl band to signal at 1010 cm(-1) was used. Imaging of lipids in atherosclerotic aortic lesions in ApoE/LDLR(-/-) mice was followed by Hierarchical Cluster Analysis (HCA). The aorta from C57Bl/6J control mice (fed with chow diet) was used for comparison. The measurements were completed with an FT-IR spectrometer equipped with a 128 × 128 FPA detector. In cross-section of aorta from ApoE/LDLR(-/-) mice a region of atherosclerotic plaque was clearly identified by HCA, which was later divided into 2 sub-regions, one characterized by the higher content of cholesterol, while the other by higher contents of cholesteryl esters. HCA of tissues deposited on normal microscopic glass, hence limited to the 2200-3800 cm(-1) spectral range, also identified a region of atherosclerotic plaque. Importantly, this region correlates with the area stained by standard histological staining for atherosclerotic plaque (Oil Red O). In conclusion, the use of FT-IR and HCA may provide a novel tool for qualitative and quantitative analysis of contents and distribution of lipids in atherosclerotic plaque.

Diameter-Sensitive Breakdown of Single-Walled Carbon Nanotubes upon KOH Activation.

Science.gov (United States)

Ye, Jianglin; Wu, Shuilin; Ni, Kun; Tan, Ziqi; Xu, Jin; Tao, Zhuchen; Zhu, Yanwu

2017-07-19

While potassium hydroxide (KOH) activation has been used to create pores in carbon nanotubes (CNTs) for improved energy-storage performance, the KOH activation mechanism of CNTs has been rarely investigated. In this work, the reaction between single-walled CNTs (SWCNTs) and KOH is studied in situ by thermogravimetric analysis coupled to infrared (IR) spectroscopy and gas chromatography/mass spectrometry (MS). The IR and MS results clearly demonstrate the sequential evolution of CO, hydrocarbons, CO 2 , and H 2 O in the activation process. By using the radial breathing mode of Raman spectroscopy, a diameter-sensitive selectivity is observed in the reaction between SWCNTs and KOH, leading to a preferential distribution of SWCNTs with diameters larger than 1 nm after activation at 900 °C and a preferential removal of SWCNTs with diameters below 1 nm upon activation. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

ESIPT and photodissociation of 3-hydroxychromone in solution: photoinduced processes studied by static and time-resolved UV/Vis, fluorescence, and IR spectroscopy.

Science.gov (United States)

Chevalier, Katharina; Grün, Anneken; Stamm, Anke; Schmitt, Yvonne; Gerhards, Markus; Diller, Rolf

2013-11-07

The spectral properties of fluorescence sensors such as 3-hydroxychromone (3-HC) and its derivatives are sensitive to interaction with the surrounding medium as well as to substitution. 3-HC is a prototype system for other derivatives because it is the basic unit of all flavonoides undergoing ESIPT and is not perturbed by a substituent. In this study, the elementary processes and intermediate states in the photocycle of 3-HC as well as its anion were identified and characterized by the use of static and femtosecond time-resolved spectroscopy in different solvents (methylcyclohexane, acetonitrile, ethanol, and water at different pH). Electronic absorption and fluorescence spectra and lifetimes of the intermediate states were obtained for the normal, tautomer and anionic excited state, while mid-IR vibrational spectra yielded structural information on ground and excited states of 3-HC. A high sensitivity on hydrogen-bonding perturbations was observed, leading to photoinduced anion formation in water, while in organic solvents, different processes are suggested, including slow picosecond ESIPT and contribution of the trans-structure excited state or a different stable solvation state with different direction of OH. The formation of the latter could be favored by the lack of a substituent increasing contact points for specific solute-solvent interactions at the hydroxyl group compared to substituted derivatives. The effect of substituents has to be considered for the design of future fluorescence sensors based on 3-HC.

Sensitivity of near-infrared spectroscopy and diffuse correlation spectroscopy to brain hemodynamics: simulations and experimental findings during hypercapnia.

Science.gov (United States)

Selb, Juliette; Boas, David A; Chan, Suk-Tak; Evans, Karleyton C; Buckley, Erin M; Carp, Stefan A

2014-07-01

Near-infrared spectroscopy (NIRS) and diffuse correlation spectroscopy (DCS) are two diffuse optical technologies for brain imaging that are sensitive to changes in hemoglobin concentrations and blood flow, respectively. Measurements for both modalities are acquired on the scalp, and therefore hemodynamic processes in the extracerebral vasculature confound the interpretation of cortical hemodynamic signals. The sensitivity of NIRS to the brain versus the extracerebral tissue and the contrast-to-noise ratio (CNR) of NIRS to cerebral hemodynamic responses have been well characterized, but the same has not been evaluated for DCS. This is important to assess in order to understand their relative capabilities in measuring cerebral physiological changes. We present Monte Carlo simulations on a head model that demonstrate that the relative brain-to-scalp sensitivity is about three times higher for DCS (0.3 at 3 cm) than for NIRS (0.1 at 3 cm). However, because DCS has higher levels of noise due to photon-counting detection, the CNR is similar for both modalities in response to a physiologically realistic simulation of brain activation. Even so, we also observed higher CNR of the hemodynamic response during graded hypercapnia in adult subjects with DCS than with NIRS.

Multiple Scattering Principal Component-based Radiative Transfer Model (PCRTM) from Far IR to UV-Vis

Science.gov (United States)

Liu, X.; Wu, W.; Yang, Q.

2017-12-01

Modern satellite hyperspectral satellite remote sensors such as AIRS, CrIS, IASI, CLARREO all require accurate and fast radiative transfer models that can deal with multiple scattering of clouds and aerosols to explore the information contents. However, performing full radiative transfer calculations using multiple stream methods such as discrete ordinate (DISORT), doubling and adding (AD), successive order of scattering order of scattering (SOS) are very time consuming. We have developed a principal component-based radiative transfer model (PCRTM) to reduce the computational burden by orders of magnitudes while maintain high accuracy. By exploring spectral correlations, the PCRTM reduce the number of radiative transfer calculations in frequency domain. It further uses a hybrid stream method to decrease the number of calls to the computational expensive multiple scattering calculations with high stream numbers. Other fast parameterizations have been used in the infrared spectral region reduce the computational time to milliseconds for an AIRS forward simulation (2378 spectral channels). The PCRTM has been development to cover spectral range from far IR to UV-Vis. The PCRTM model have been be used for satellite data inversions, proxy data generation, inter-satellite calibrations, spectral fingerprinting, and climate OSSE. We will show examples of applying the PCRTM to single field of view cloudy retrievals of atmospheric temperature, moisture, traces gases, clouds, and surface parameters. We will also show how the PCRTM are used for the NASA CLARREO project.

Generation of various carbon nanostructures in water using IR/UV laser ablation

International Nuclear Information System (INIS)

Mortazavi, Seyedeh Zahra; Parvin, Parviz; Reyhani, Ali; Mirershadi, Soghra; Sadighi-Bonabi, Rasoul

2013-01-01

A wide variety of carbon nanostructures were generated by a Q-switched Nd : YAG laser (1064 nm) while mostly nanodiamonds were created by an ArF excimer laser (193 nm) in deionized water. They were characterized by transmission electron microscopy, Raman spectroscopy and x-ray photoelectron spectroscopy. It was found that the IR laser affected the morphology and structure of the nanostructures due to the higher inverse bremsstrahlung absorption rate within the plasma plume with respect to the UV laser. Moreover, laser-induced breakdown spectroscopy was carried out so that the plasma created by the IR laser was more energetic than that generated by the UV laser. (paper)

PAH Spectroscopy: Past, Present and Future

Science.gov (United States)

Mattioda, Andrew

2016-01-01

Since their discovery in the 1970's, astronomers, astrophysicists and astrochemists have been intrigued by the nearly ubiquitous unidentified infrared emission (UIR) bands. In the 1980's, investigators determined the most probably source of these emissions was a family of molecules known as Polycyclic Aromatic Hydrocarbons or simply PAHs. In order to better understand these interstellar IR features and utilize them as chemical probes of the cosmos, laboratory spectroscopists have spent the last three decades investigating the spectroscopy of PAHs under astrophysically relevant conditions. This presentation will discuss the similarities and differences in the spectroscopic properties of PAHs as one goes from the Far to Mid to Near infrared wavelength regions and probe the changes observed in PAH spectra as they go from neutral to ionized molecules suspended in an inert gas matrix, to PAHs in a water ice matrix and as a thin film. In selected instances, the experimental results will be compared to theoretical values. The presentation will conclude with a discussion on the future directions of PAH spectroscopy.

Vibrational spectroscopy of proteins

International Nuclear Information System (INIS)

Schwaighofer, A.

2013-01-01

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

Solubility and IR studies of gamma-irradiated arabinoxylan

International Nuclear Information System (INIS)

Ebringerova, A.; Kacurakova, M.; Hromadkova, Z.; Pruzinec, J.

1989-01-01

The structural and solubility changes of a water-insoluble arabinoxylan with a low degree of branching was studied after γ-irradiation by IR spectroscopy and chemical analysis of the polysaccharide and its polymeric fractions. New functional groups like hydroperoxidic, carbonylic and endiolic ones were found after irradiation. The IR spectra shows that the structural changes involved by radiolytic treatment are reflected in the shape of the IR spectra of both polymeric fractions. The ratio of absorbance of the peaks at 1725 and 2920 cm -1 increased with radiation dose. (author) 17 refs.; 2 figs.; 2 tabs

Two-dimensional IR spectroscopy of the anti-HIV agent KP1212 reveals protonated and neutral tautomers that influence pH-dependent mutagenicity

OpenAIRE

Peng, Chunte Sam; Fedeles, Bogdan I.; Singh, Vipender; Li, Deyu; Amariuta, Tiffany; Essigmann, John M.; Tokmakoff, Andrei

2015-01-01

The anti-HIV drug KP1212 was designed to intentionally increase the mutation rate of HIV, thereby causing viral population collapse. Its mutagenicity and thus antiviral activity was proposed to be the result of tautomerization. We used 2D IR spectroscopy to identify rapidly interconverting tautomers under physiological conditions. The traditionally rare enol–imino tautomer for nucleobases was found to be the major species for KP1212, providing a structural support for the tautomer hypothesis....

Nuclei far off the stability line

International Nuclear Information System (INIS)

Fenyes, T.

1978-01-01

Theoretical and experimental aspects of the formation of some ''exotic'' nuclei far off the stability line were reviewed in addition to the relevant results of research in this field. Results in beta- and gamma-ray spectroscopy, heavy-ion-spectroscopy, achievements in the fields of measuring the atomic mass, the moment, and the radius of the nuclei as well as some astronomical aspects were described. (Z.P.)

The study of the radiation chemical transformation of the hexane on the surface of aluminium by IR-spectroscopy method

International Nuclear Information System (INIS)

Rimikhanova, A.N.

2006-01-01

Full text: In this work the experimental results of the radiation-chemical transformation of hexane on the aluminum surface obtained by IR spectroscopy method at room temperature have been presented. The metallic aluminum plates which was obtained by stage pressing granules by mark of AD-00 with the reflection coefficient R=0,85 in the middle infrared range of waves length λ=15 ± 2,2 mkm were used. As an adsorbate unsaturated vapors of hexane were used, the absorption of which was being carried out at the room temperature by the method. The radiation of system was carried out with γ-quanta of Co 60 with doze rate of 1,03 Gy/s - 1, and the absorbed doze in the system was (0,5-2)10 4 Gy. IR reflection spectra when beams fall on the sample under angle near the slipping were measured in diapason of 3600-650 cm - 1 by the spectrophotometer S pecord 71IR . The radiation chemical decomposition of hexane in heterosystem was being traced in stretching (3000-2700 cm - 1) and deformation (1500-1300 cm - 1) vibration diapasons of C-H bonds. The analysis of IR reflection spectra of Al-ads.hexane heterosystem showed that the main products of radiation chemical transformation are hydrocarbons C1-C5, olefins: propylene, butene-1, hexene-1, transhexene-3 and hydrocarbons more heavy than hexane. In frequency range of 1700-2000 cm - 1 the absorption bands of Al-H vibration which concern to aluminum hydrides are founded. By increasing of radiation dose the tendency of increasing of hydrogen accumulation as aluminum hydrides has been established

Surface core level shifts of clean and oxygen covered Ir(111)

Energy Technology Data Exchange (ETDEWEB)

Bianchi, M; Cassese, D; Cavallin, A; Comin, R; Orlando, F; Postregna, L [Universita degli Studi di Trieste, Via A Valerio 2, 34127, Trieste (Italy); Golfetto, E; Baraldi, A [Dipartimento di Fisica e CENMAT, Universita degli Studi di Trieste, Via A Valerio 2, 34127, Trieste (Italy); Lizzit, S [Sincrotrone Trieste S.C.p.A., S.S. 14 Km 163.5, 34012 Trieste (Italy)], E-mail: alessandro.baraldi@elettra.trieste.it

2009-06-15

We present the results of high resolution core level photoelectron spectroscopy employed to investigate the electronic structure of clean and oxygen covered Ir(111) surface. Ir 4f{sub 7/2} core level spectra are shown to be very sensitive to the local atomic environment. For the clean surface we detected two distinct components shifted by 550 meV, originated by surface and bulk atoms. The larger Gaussian width of the bulk component is explained as due to experimentally unresolved subsurface components. In order to determine the relevance of the phonon contribution we examined the thermal behaviour of the core level lineshape using the Hedin-Rosengren theory. From the phonon-induced spectral broadening we found the Debye temperature of bulk and surface atoms to be 298 and 181 K, respectively, which confirms the softening of the vibrational modes at the surface. Oxygen adsorption leads to the appearance of new surface core level components at -200 meV and +230 meV, which are interpreted as due to first-layer Ir atoms differently coordinated with oxygen. The coverage dependence of these components demonstrates that the oxygen saturation corresponds to 0.38 ML, in good agreement with recent density functional theory calculations.

Identification of the traditional Tibetan medicine "Shaji" and their different extracts through tri-step infrared spectroscopy

Science.gov (United States)

Liu, Yue; Li, Jingyi; Fan, Gang; Sun, Suqin; Zhang, Yuxin; Zhang, Yi; Tu, Ya

2016-11-01

Hippophae rhamnoides subsp. sinensis Rousi, Hippophae gyantsensis (Rousi) Y. S. Lian, Hippophae neurocarpa S. W. Liu & T. N. He and Hippophae tibetana Schlechtendal are typically used under one name "Shaji", to treat cardiovascular diseases and lung disorders in Tibetan medicine (TM). A complete set of infrared (IR) macro-fingerprints of these four Hippophae species should be characterized and compared simply, accurately, and in detail for identification. In the present study, tri-step IR spectroscopy, which included Fourier transform IR (FT-IR) spectroscopy, second derivative IR (SD-IR) spectroscopy and two-dimensional correlation IR (2D-IR) spectroscopy, was employed to discriminate the four Hippophae species and their corresponding extracts using different solvents. The relevant spectra exhibited the holistic chemical compositions and variations. Flavonoids, fatty acids and sugars were found to be the main chemical components. Characteristic peak positions, intensities and shapes derived from FT-IR, SD-IR and 2D-IR spectra provided valuable information for sample discrimination. Principal component analysis (PCA) of spectral differences was performed to illustrate the objective identification. Results showed that the species and their extracts can be clearly distinguished. Thus, a quick, precise and effective tri-step IR spectroscopy combined with PCA can be applied to identify and discriminate medicinal materials and their extracts in TM research.

Application of fluorescent and vibration spectroscopy for septic serum human albumin structure deformation during pathology

Science.gov (United States)

Zyubin, A.; Konstantinova, E.; Slezhkin, V.; Matveeva, K.; Samusev, I.; Bryukhanov, V.

2017-12-01

In this paper we perform results of conformational analysis of septic human serum albumin (HSA) carried out by Raman spectroscopy (RS), infrared (IR) spectroscopy and fluorescent spectroscopy. The main vibrational groups were identified and analyzed for septic HSA and its health control. Comparison between Raman and IR results were done. Fluorescent spectral changes of Trp-214 group were analyzed. Application of Raman, IR spectroscopy, fluorescent spectroscopy for conformational changes study of HSA during pathology were shown.

The natural logarithm of zinc-α2-glycoprotein/HOMA-IR is a better predictor of insulin sensitivity than the product of triglycerides and glucose and the other lipid ratios.

Science.gov (United States)

Qu, Chunmei; Zhou, Xiaoxin; Yang, Gangyi; Li, Ling; Liu, Hua; Liang, Zerong

2016-03-01

The euglycemic-hyperinsulinemic clamp (EHC) is not available in most clinical settings and is costly, time consuming and invasive, and requires trained staff. Therefore, an accessible and inexpensive test to identify insulin resistance (IR) is needed. The aim of this study is to assess whether zinc-α2-glycoprotein (ZAG) index [Ln ZAG/homeostasis model assessment of IR (HOMA-IR)] is a better surrogate index for estimating IR or metabolic syndrome (MetS) compared with other surrogate indices. We performed a population-based cross-sectional study. Two hundred healthy subjects, 102 polycystic ovary syndrome (PCOS) patients, 97 newly diagnosed type 2 diabetes mellitus (nT2DM) and 84 impaired glucose tolerance (IGT) subjects were enrolled. The EHC was performed to identify IR. Circulating ZAG and adiponectin levels were determined by ELISA. The ZAG index was significantly lower in participants with IR including IGT, nT2DM and PCOS than in those without IR. In addition, subjects with MetS had lower ZAG indices and higher the product of fasting triglycerides and glucose (TyG) indices than those without MetS. The ZAG index showed a significantly stronger association with M values than the other surrogate indices, whereas the TyG index showed a stronger association with MetS. The optimal cutoff value of the ZAG index for detection of IR was 2.97 with a sensitivity of 88% and a specificity of 91%, whereas the optimal cutoff value of TyG index for detection of MetS was 4.90 with a sensitivity of 82% and a specificity of 86%. The ZAG index is a better marker than the other surrogate indices for identifying IR, whereas the TyG index has high sensitivity and specificity for identifying MetS. Copyright © 2016 Elsevier Ltd. All rights reserved.

Making Mass Spectrometry See the Light: The Promises and Challenges of Cryogenic Infrared Ion Spectroscopy as a Bioanalytical Technique.

Science.gov (United States)

Cismesia, Adam P; Bailey, Laura S; Bell, Matthew R; Tesler, Larry F; Polfer, Nicolas C

2016-05-01

The detailed chemical information contained in the vibrational spectrum of a cryogenically cooled analyte ion would, in principle, make infrared (IR) ion spectroscopy a gold standard technique for molecular identification in mass spectrometry. Despite this immense potential, there are considerable challenges in both instrumentation and methodology to overcome before the technique is analytically useful. Here, we discuss the promise of IR ion spectroscopy for small molecule analysis in the context of metabolite identification. Experimental strategies to address sensitivity constraints, poor overall duty cycle, and speed of the experiment are intimately tied to the development of a mass-selective cryogenic trap. Therefore, the most likely avenues for success, in the authors' opinion, are presented here, alongside alternative approaches and some thoughts on data interpretation.

Vibrational spectroscopy on protons and deuterons in proton conducting perovskites

DEFF Research Database (Denmark)

Glerup, M.; Poulsen, F.W.; Berg, R.W.

2002-01-01

A short review of IR-spectroscopy on protons in perovskite structure oxides is given. The nature of possible proton sites, libration and combination tones and degree of hydrogen bonding is emphasised. Three new spectroscopic experiments and/or interpretations are presented. An IR-microscopy exper......A short review of IR-spectroscopy on protons in perovskite structure oxides is given. The nature of possible proton sites, libration and combination tones and degree of hydrogen bonding is emphasised. Three new spectroscopic experiments and/or interpretations are presented. An IR...

New High-Resolution Absorption Cross-Section Measurements of HCFC-142B in the Mid-Ir

Science.gov (United States)

Le Bris, Karine; Strong, Kimberly; Melo, Stella

2009-06-01

HCFC-142b (1-chloro-1,1-difluoroethane) is a temporary substitute for ozone-depleting chlorofluorocarbons (CFCs). However, due to its high absorption cross-sections in the mid-IR, HCFC-142b is also a highly potent greenhouse gas, now detectable from space by satellite missions. So far, the accuracy of the retrieval has been limited by the lack of reference data in a range of temperatures compatible with atmospheric observations. We present new absorption cross section measurements of HCFC-142b at high-resolution (0.02 cm^{-1}) from 223 K to 283 K in the 600 cm^{-1}- 4000 cm^{-1} spectral window. The composite spectra are calculated for each temperature from a set of acquisitions at different pressures by Fourier transform spectroscopy.

Two-dimensional infrared spectroscopy of vibrational polaritons.

Science.gov (United States)

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

2018-04-19

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

Supercontinuum based mid-IR imaging spectroscopy for cancer detection

DEFF Research Database (Denmark)

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

2014-01-01

-power laser diodes, quantum cascade lasers and synchrotron radiation, have precluded mid-IR applications where the spatial coherence, broad bandwidth, high brightness and portability of a supercontinuum laser are all required. In an international collaboration in the EU project MINERVA [minerva...

High-sensitivity Raman spectrometer to study pristine and irradiated interstellar ice analogs.

Science.gov (United States)

Bennett, Chris J; Brotton, Stephen J; Jones, Brant M; Misra, Anupam K; Sharma, Shiv K; Kaiser, Ralf I

2013-06-18

We discuss the novel design of a sensitive, normal-Raman spectrometer interfaced to an ultra-high vacuum chamber (5 × 10(-11) Torr) utilized to investigate the interaction of ionizing radiation with low temperature ices relevant to the solar system and interstellar medium. The design is based on a pulsed Nd:YAG laser which takes advantage of gating techniques to isolate the scattered Raman signal from the competing fluorescence signal. The setup incorporates innovations to achieve maximum sensitivity without detectable heating of the sample. Thin films of carbon dioxide (CO2) ices of 10 to 396 nm thickness were prepared and characterized using both Fourier transform infrared (FT-IR) spectroscopy and HeNe interference techniques. The ν+ and ν- Fermi resonance bands of CO2 ices were observed by Raman spectroscopy at 1385 and 1278 cm(-1), respectively, and the band areas showed a linear dependence on ice thickness. Preliminary irradiation experiments are conducted on a 450 nm thick sample of CO2 ice using energetic electrons. Both carbon monoxide (CO) and the infrared inactive molecular oxygen (O2) products are readily detected from their characteristic Raman bands at 2145 and 1545 cm(-1), respectively. Detection limits of 4 ± 3 and 6 ± 4 monolayers of CO and O2 were derived, demonstrating the unique power to detect newly formed molecules in irradiated ices in situ. The setup is universally applicable to the detection of low-abundance species, since no Raman signal enhancement is required, demonstrating Raman spectroscopy as a reliable alternative, or complement, to FT-IR spectroscopy in space science applications.

Sensitivity of near-infrared spectroscopy and diffuse correlation spectroscopy to brain hemodynamics: simulations and experimental findings during hypercapnia

Science.gov (United States)

Selb, Juliette; Boas, David A.; Chan, Suk-Tak; Evans, Karleyton C.; Buckley, Erin M.; Carp, Stefan A.

2014-01-01

Abstract. Near-infrared spectroscopy (NIRS) and diffuse correlation spectroscopy (DCS) are two diffuse optical technologies for brain imaging that are sensitive to changes in hemoglobin concentrations and blood flow, respectively. Measurements for both modalities are acquired on the scalp, and therefore hemodynamic processes in the extracerebral vasculature confound the interpretation of cortical hemodynamic signals. The sensitivity of NIRS to the brain versus the extracerebral tissue and the contrast-to-noise ratio (CNR) of NIRS to cerebral hemodynamic responses have been well characterized, but the same has not been evaluated for DCS. This is important to assess in order to understand their relative capabilities in measuring cerebral physiological changes. We present Monte Carlo simulations on a head model that demonstrate that the relative brain-to-scalp sensitivity is about three times higher for DCS (0.3 at 3 cm) than for NIRS (0.1 at 3 cm). However, because DCS has higher levels of noise due to photon-counting detection, the CNR is similar for both modalities in response to a physiologically realistic simulation of brain activation. Even so, we also observed higher CNR of the hemodynamic response during graded hypercapnia in adult subjects with DCS than with NIRS. PMID:25453036

Can infrared spectroscopy provide information on protein-protein interactions?

Science.gov (United States)

Haris, Parvez I

2010-08-01

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

Sensitivity Increases for the TITAN Decay Spectroscopy Program

Directory of Open Access Journals (Sweden)

Leach K.G.

2015-01-01

Full Text Available The TITAN facility at TRIUMF has recently initiated a program of performing decay spectroscopy measurements in an electron-beam ion-trap (EBIT. The unique environment of the EBIT provides backingfree storage of the radioactive ions, while guiding charged decay particles from the trap centre via the strong magnetic field. This measurement technique is able to provide a significant increase in detection sensitivity for photons which result from radioactive decay. A brief overview of this device is presented, along with methods of improving the signal-to-background ratio for photon detection by reducing Compton scattered events, and eliminating vibrational noise.

Nanoscale Infrared Spectroscopy of Biopolymeric Materials

Science.gov (United States)

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

2012-01-01

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

Successful synthesis and thermal stability of immiscible metal Au-Rh, Au-Ir andAu-Ir-Rh nanoalloys

Science.gov (United States)

Shubin, Yury; Plyusnin, Pavel; Sharafutdinov, Marat; Makotchenko, Evgenia; Korenev, Sergey

2017-05-01

We successfully prepared face-centred cubic nanoalloys in systems of Au-Ir, Au-Rh and Au-Ir-Rh, with large bulk miscibility gaps, in one-run reactions under thermal decomposition of specially synthesised single-source precursors, namely, [AuEn2][Ir(NO2)6], [AuEn2][Ir(NO2)6] х [Rh(NO2)6]1-х and [AuEn2][Rh(NO2)6]. The precursors employed contain all desired metals ‘mixed’ at the atomic level, thus providing significant advantages for obtaining alloys. The observations using high-resolution transmission electron microscopy show that the nanoalloy structures are composed of well-dispersed aggregates of crystalline domains with a mean size of 5 ± 3 nm. Еnergy dispersive x-ray spectroscopy and x-ray powder diffraction (XRD) measurements confirm the formation of AuIr, AuRh, AuIr0.75Rh0.25, AuIr0.50Rh0.50 and AuIr0.25Rh0.75 metastable solid solutions. In situ high-temperature synchrotron XRD (HTXRD) was used to study the formation mechanism of nanoalloys. The observed transformations are described by the ‘conversion chemistry’ mechanism characterised by the primary development of particles comprising atoms of only one type, followed by a chemical reaction resulting in the final formation of a nanoalloy. The obtained metastable nanoalloys exhibit essential thermal stability. Exposure to 180 °C for 30 h does not cause any dealloying process.

Study of Chemical Intermediates by Means of ATR-IR Spectroscopy and Hybrid Hard- and Soft-Modelling Multivariate Curve Resolution-Alternating Least Squares

Directory of Open Access Journals (Sweden)

Junxiu Ma

2017-01-01

Full Text Available 3,5-Diamino-1,2,4-triazole (DAT became a significant energetic materials intermediate, and the study of its reaction mechanism has fundamental significance in chemistry. The aim of this study is to investigate the ability of online attenuated total reflection infrared (ATR-IR spectroscopy combined with the novel approach of hybrid hard- and soft-modelling multivariate curve resolution-alternating least squares (HS-MCR analysis to monitor and detect changes in structural properties of compound during 3,5-diamino-1,2,4-triazole (DAT synthesis processes. The subspace comparison method (SCM was used to obtain the principal components number, and then the pure IR spectra of each substance were obtained by independent component analysis (ICA and HS-MCR. The extent of rotation ambiguity was estimated from the band boundaries of feasible solutions calculated using the MCR-BANDS procedure. There were five principal components including two intermediates in the process in the results. The reaction rate constants of DAT formation reaction were also obtained by HS-MCR. HS-MCR was used to analyze spectroscopy data in chemical synthesis process, which not only increase the information domain but also reduce the ambiguities of the obtained results. This study provides the theoretical basis for the optimization of synthesis process and technology of energetic materials and provides a strong technical support of research and development of energy material with extraordinary damage effects.

Study of Chemical Intermediates by Means of ATR-IR Spectroscopy and Hybrid Hard- and Soft-Modelling Multivariate Curve Resolution-Alternating Least Squares.

Science.gov (United States)

Ma, Junxiu; Qi, Juan; Gao, Xinyu; Yan, Chunhua; Zhang, Tianlong; Tang, Hongsheng; Li, Hua

2017-01-01

3,5-Diamino-1,2,4-triazole (DAT) became a significant energetic materials intermediate, and the study of its reaction mechanism has fundamental significance in chemistry. The aim of this study is to investigate the ability of online attenuated total reflection infrared (ATR-IR) spectroscopy combined with the novel approach of hybrid hard- and soft-modelling multivariate curve resolution-alternating least squares (HS-MCR) analysis to monitor and detect changes in structural properties of compound during 3,5-diamino-1,2,4-triazole (DAT) synthesis processes. The subspace comparison method (SCM) was used to obtain the principal components number, and then the pure IR spectra of each substance were obtained by independent component analysis (ICA) and HS-MCR. The extent of rotation ambiguity was estimated from the band boundaries of feasible solutions calculated using the MCR-BANDS procedure. There were five principal components including two intermediates in the process in the results. The reaction rate constants of DAT formation reaction were also obtained by HS-MCR. HS-MCR was used to analyze spectroscopy data in chemical synthesis process, which not only increase the information domain but also reduce the ambiguities of the obtained results. This study provides the theoretical basis for the optimization of synthesis process and technology of energetic materials and provides a strong technical support of research and development of energy material with extraordinary damage effects.

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

Science.gov (United States)

Żarnowiec, Paulina; Czerwonka, Grzegorz; Kaca, Wiesław

2017-01-01

Fourier transform infrared spectroscopy (FT-IR) was used to scan whole bacterial cells as well as lipopolysaccharides (LPSs, endotoxins) isolated from them. Proteus mirabilis cells, with chemically defined LPSs, served as a model for the ATR FT-IR method. The paper focuses on three steps of infrared spectroscopy: (1) sample preparation, (2) IR scanning, and (3) multivariate analysis of IR data (principal component analysis, PCA).

Spectroscopy for Dummies

DEFF Research Database (Denmark)

Lindvold, Lars René

This presentation will give short introduction to the most pertinent topics of optical spectroscopy. The following topics will be discussed: • The origin of spectra in UV, VIS and IR spectral range • Spectroscopic methods like absorption, luminescence and Raman • Wavelength dispersive optical...... components • Materials for use optical spectroscopy • Spectrometer geometries • Detectors for use in spectrometer • Practical examples of optical spectroscopy The objective of this presentation is to give the audience a good feel for the range of possibilities that optical spectroscopy can provide....

Far infrared spectroscopy of H II regions

International Nuclear Information System (INIS)

Ward, D.B.

1976-01-01

A fully liquid helium cooled grating spectrometer has been developed for far infrared observations from the NASA Lear Jet. This instrument has been used in observations of the galactic HII regions M42 and M17. The instrument is described, and the results of various performance tests and calibrations are presented. The methods employed in observations from the Lear Jet are described, and the data analysis procedures are discussed. The results of a search for the (O III) 88.16 micron fine structure line are presented. The intensity of the line in M17 is reported, and an upper limit given for the intensity in M42. These results are compared with theoretical predictions, and future applications of infrared line observations are discussed. Coarse resolution spectra of M42 and M17 from 45 to 115 microns are also presented. The emission from M42 is shown to be a very smooth function of wavelength, closely fitting the wavelength dependence of a 105 0 K graybody. The spectrum of M17 is very different, having a bump at approximately 75 microns and a general far infrared excess. The observed spectrum is compared to the predictions of models for M17

Far infrared (terahertz) spectroscopy of a series of polycyclic aromatic hydrocarbons and application to structure interpretation of asphaltenes and related compounds.

Science.gov (United States)

Cataldo, Franco; Angelini, Giancarlo; García-Hernández, D Aníbal; Manchado, Arturo

2013-07-01

A series of 33 different polycyclic aromatic hydrocarbons (PAHs) were studied by far infrared spectroscopy (terahertz spectroscopy) in the spectral range comprised between 600 and 50 cm(-1). In addition to common PAHs like naphthalene, anthracene, phenanthrene, fluoranthene, picene, pyrene, benzo[α]pyrene, and perylene, also quite unusual PAHs were studied like tetracene, pentacene, acenaphtene, acenaphtylene, triphenylene, and decacyclene. A series of alkylated naphthalenes and anthracenes were studied as well as methypyrene. Partially or totally hydrogenated PAHs were also object of the present investigation, ranging from tetrahydronaphthalene (tetralin) to decahydronaphthalene (decalin), 9,10-dihydroanthracene, 9,10-dihydrophenanthrene, hexahydropyrene, and dodecahydrotriphenylene. Finally, the large and quite rare PAHs coronene, quaterrylene, hexabenzocoronene, and dicoronylene were studied by far infrared spectroscopy. The resulting reference spectra were used in the interpretation of the chemical structure of asphaltenes (as extracted from a heavy petroleum fraction and from bitumen), the chemical structures of other petroleum fractions known as DAE (distillate aromatic extract) and RAE (residual aromatic extract), and a possible interpretation of components of the chemical structure of anthracite coal. Asphaltenes, heavy petroleum fractions, and coal were proposed as model compounds for the interpretation of the emission spectra of certain proto-planetary nebulae (PPNe) with a good matching in the mid infrared between the band pattern of the PPNe emission spectra and the spectra of these oil fractions or coal. Although this study was finalized in an astrochemical context, it may find application also in the petroleum and coal chemistry. Copyright © 2013 Elsevier B.V. All rights reserved.

XRD, TEM, IR, Raman and NMR Spectroscopy of In Situ Crystallization of Lithium Disilicate Glass

Science.gov (United States)

Fuss, T.; Mogus-Milankovic, A.; Ray, C. S.; Lesher, C. E.; Youngman, R.; Day, D. E.

2006-01-01

The structure of a Li2O-2SiO2 (LS2) glass was investigated as a function of pressure and temperature up to 6 GPa and 750 C respectively, using XRD, TEM, IR, Raman and NMR spectroscopy. Glass densified at 6 GPa has an average Si-O-Si bond angle approx.7deg lower than that found in glass processed at 4.5 GPa. At 4.5 GPa, lithium disilicate crystallizes from the glass, while at 6 GPa a new high pressure form of lithium metasilicate crystallizes. The new phase, while having lithium metasilicate crystal symmetry, contains at least 4 different Si sites. NMR results for 6 GPa sample indicate the presence of Q4 species with (Q(sup 4))Si-O-Si(Q(sup 4)) bond angles of approx.157deg. This is the first reported occurrence of Q(sup 4) species with such large bond angles in alumina free alkali silicate glass. No five- or six- coordinated Si are found.

Red-IR stimulated luminescence in K-feldspar: Single or multiple trap origin?

DEFF Research Database (Denmark)

Andersen, Martin Thalbitzer; Jain, Mayank; Tidemand-Lichtenberg, Peter

2012-01-01

We investigate on the origins of the infra-red stimulated luminescence (IRSL) signals in 3 potassium feldspars based on IR-red spectroscopy (700–1050 nm) using a fiber-coupled tunable Ti:Sapphire laser, in combination with different thermal and optical (pre)treatments of the samples. We also...

Solute-solvent complex switching dynamics of chloroform between acetone and dimethylsulfoxide-two-dimensional IR chemical exchange spectroscopy.

Science.gov (United States)

Kwak, Kyungwon; Rosenfeld, Daniel E; Chung, Jean K; Fayer, Michael D

2008-11-06

Hydrogen bonds formed between C-H and various hydrogen bond acceptors play important roles in the structure of proteins and organic crystals, and the mechanisms of C-H bond cleavage reactions. Chloroform, a C-H hydrogen bond donor, can form weak hydrogen-bonded complexes with acetone and with dimethylsulfoxide (DMSO). When chloroform is dissolved in a mixed solvent consisting of acetone and DMSO, both types of hydrogen-bonded complexes exist. The two complexes, chloroform-acetone and chloroform-DMSO, are in equilibrium, and they rapidly interconvert by chloroform exchanging hydrogen bond acceptors. This fast hydrogen bond acceptor substitution reaction is probed using ultrafast two-dimensional infrared (2D-IR) vibrational echo chemical exchange spectroscopy. Deuterated chloroform is used in the experiments, and the 2D-IR spectrum of the C-D stretching mode is measured. The chemical exchange of the chloroform hydrogen bonding partners is tracked by observing the time-dependent growth of off-diagonal peaks in the 2D-IR spectra. The measured substitution rate is 1/30 ps for an acetone molecule to replace a DMSO molecule in a chloroform-DMSO complex and 1/45 ps for a DMSO molecule to replace an acetone molecule in a chloroform-acetone complex. Free chloroform exists in the mixed solvent, and it acts as a reactive intermediate in the substitution reaction, analogous to a SN1 type reaction. From the measured rates and the equilibrium concentrations of acetone and DMSO, the dissociation rates for the chloroform-DMSO and chloroform-acetone complexes are found to be 1/24 ps and 1/5.5 ps, respectively. The difference between the measured rate for the complete substitution reaction and the rate for complex dissociation corresponds to the diffusion limited rate. The estimated diffusion limited rate agrees well with the result from a Smoluchowski treatment of diffusive reactions.

Discrimination of wild-growing and cultivated Lentinus edodes by tri-step infrared spectroscopy

Science.gov (United States)

Lin, Haojian; Liu, Gang; Yang, Weimei; An, Ran; Ou, Quanhong

2018-01-01

It's not easy to discriminate dried wild-growing Lentinus edodes (WL) and cultivated Lentinus edodes (CL) by conventional method based on the morphological inspection of fruiting bodies. In this paper, fruiting body samples of WL and CL are discriminated by a tri-step IR spectroscopy method, including Fourier transform infrared (FT-IR) spectroscopy, second derivatives infrared (SD-IR) spectroscopy and two-dimensional correlation infrared (2D-IR) spectroscopy under thermal perturbation. The results show that the FT-IR spectra of WL and CL are similar in holistic spectral profile. More significant differences are exhibited in their SD-IR spectra in the range of 1700 - 900 cm-1. Furthermore, more evident differences have been observed in their synchronous 2D-IR spectra in the range of 2970 - 2900, 1678 - 1390, 1250 -1104 and 1090 - 1030 cm-1. The CL has thirteen auto-peaks at 2958, 2921, 1649, 1563, 1450, 1218, 1192, 1161, 1140, 1110, 1082, 1065 and 1047 cm-1, in which the four strongest auto-peaks are at 2921, 1563, 1192 and 1082 cm-1. The WL shows fifteen auto-peaks at 2960, 2937, 2921, 1650, 1615, 1555, 1458, 1219, 1190, 1138, 1111, 1084, 1068, 1048 and 1033 cm-1, in which the four strongest auto-peaks are at 2921, 1650, 1190 and 1068 cm-1. This study shows the potential of FT-IR spectroscopy and 2D correlation analysis in a simple and quick distinction of wild-growing and cultivated mushrooms.

Two-dimensional IR spectroscopy of the anti-HIV agent KP1212 reveals protonated and neutral tautomers that influence pH-dependent mutagenicity.

Science.gov (United States)

Peng, Chunte Sam; Fedeles, Bogdan I; Singh, Vipender; Li, Deyu; Amariuta, Tiffany; Essigmann, John M; Tokmakoff, Andrei

2015-03-17

Antiviral drugs designed to accelerate viral mutation rates can drive a viral population to extinction in a process called lethal mutagenesis. One such molecule is 5,6-dihydro-5-aza-2'-deoxycytidine (KP1212), a selective mutagen that induces A-to-G and G-to-A mutations in the genome of replicating HIV. The mutagenic property of KP1212 was hypothesized to originate from its amino-imino tautomerism, which would explain its ability to base pair with either G or A. To test the multiple tautomer hypothesis, we used 2D IR spectroscopy, which offers subpicosecond time resolution and structural sensitivity to distinguish among rapidly interconverting tautomers. We identified several KP1212 tautomers and found that >60% of neutral KP1212 is present in the enol-imino form. The abundant proportion of this traditionally rare tautomer offers a compelling structure-based mechanism for pairing with adenine. Additionally, the pKa of KP1212 was measured to be 7.0, meaning a substantial population of KP1212 is protonated at physiological pH. Furthermore, the mutagenicity of KP1212 was found to increase dramatically at pH KP1212 molecules. Overall, our data reveal that the bimodal mutagenic properties of KP1212 result from its unique shape shifting ability that utilizes both tautomerization and protonation.

Determination of alkaloids in capsules, milk and ethanolic extracts of poppy (Papaver somniferum L.) by ATR-FT-IR and FT-Raman spectroscopy.

Science.gov (United States)

Schulz, Hartwig; Baranska, Malgorzata; Quilitzsch, Rolf; Schütze, Wolfgang

2004-10-01

Fourier transform (FT) infrared spectroscopy using a diamond composite ATR crystal and NIR-FT-Raman spectroscopy techniques were applied for the simultaneous identification and quantification of the most important alkaloids in poppy capsules. Most of the characteristic Raman signals of the alkaloids can be identified in poppy milk isolated from unripe capsules. But also poppy extracts present specific bands relating clearly to the alkaloid fraction. Raman spectra obtained by excitation with a Nd:YAG laser at 1064 nm show no disturbing fluorescence effects; therefore the plant tissue can be recorded without any special preparation. The used diamond ATR technique allows to measure very small sample amounts (5-10 microL or 2-5 mg) without the necessity to perform time-consuming pre-treatments. When applying cluster analysis a reliable discrimination of "low-alkaloid" and "high-alkaloid" poppy single-plants can be easily achieved. The examples presented in this study provide clear evidence of the benefits of Raman and ATR-IR spectroscopy in efficient quality control, forensic analysis and high-throughput evaluation of poppy breeding material.

Sensing the Structural Differences in Cellulose from Apple and Bacterial Cell Wall Materials by Raman and FT-IR Spectroscopy

Science.gov (United States)

Szymańska-Chargot, Monika; Cybulska, Justyna; Zdunek, Artur

2011-01-01

Raman and Fourier Transform Infrared (FT-IR) spectroscopy was used for assessment of structural differences of celluloses of various origins. Investigated celluloses were: bacterial celluloses cultured in presence of pectin and/or xyloglucan, as well as commercial celluloses and cellulose extracted from apple parenchyma. FT-IR spectra were used to estimate of the Iβ content, whereas Raman spectra were used to evaluate the degree of crystallinity of the cellulose. The crystallinity index (XCRAMAN%) varied from −25% for apple cellulose to 53% for microcrystalline commercial cellulose. Considering bacterial cellulose, addition of xyloglucan has an impact on the percentage content of cellulose Iβ. However, addition of only xyloglucan or only pectins to pure bacterial cellulose both resulted in a slight decrease of crystallinity. However, culturing bacterial cellulose in the presence of mixtures of xyloglucan and pectins results in an increase of crystallinity. The results confirmed that the higher degree of crystallinity, the broader the peak around 913 cm−1. Among all bacterial celluloses the bacterial cellulose cultured in presence of xyloglucan and pectin (BCPX) has the most similar structure to those observed in natural primary cell walls. PMID:22163913

Cancer diagnosis by infrared spectroscopy: methodological aspects

Science.gov (United States)

Jackson, Michael; Kim, Keith; Tetteh, John; Mansfield, James R.; Dolenko, Brion; Somorjai, Raymond L.; Orr, F. W.; Watson, Peter H.; Mantsch, Henry H.

1998-04-01

IR spectroscopy is proving to be a powerful tool for the study and diagnosis of cancer. The application of IR spectroscopy to the analysis of cultured tumor cells and grading of breast cancer sections is outlined. Potential sources of error in spectral interpretation due to variations in sample histology and artifacts associated with sample storage and preparation are discussed. The application of statistical techniques to assess differences between spectra and to non-subjectively classify spectra is demonstrated.

The Influence of Substituent Orientation on the Photovoltaic Performance of Phthalocyanine-Sensitized Solar Cells.

Science.gov (United States)

Tejerina, Lara; Martínez-Díaz, M Victoria; Nazeeruddin, Mohammad Khaja; Torres, Tomas

2016-03-18

Phthalocyanines (Pcs) are used as sensitizers in dye-sensitized solar cells (DSSCs) because of their stability and intense absorption in the red and near-IR regions. Impressive progress has been made in photovoltaic efficiencies by introduction of bulky peripheral substituents to help suppress macrocycle aggregation. To reach benchmark efficiencies reported for other related dyes, new designs need to be explored. Single carboxy-ZnPc regioisomers substituted at the non-peripheral positions by rigid aryl groups have now been studied, which has shed light on the influence of steric hindrance and/or orientation of the substituent around the anchoring group on the photovoltaic response. The regioisomer bearing the aryl group far away from the anchoring group produces a more effective sensitization of the TiO2 films and higher short-circuit photocurrent density (Jsc). Taking advantage of the good photovoltaic performance in the near-IR region of this ZnPc, it was combined with another appropriate dye for panchromatic sensitization of the mesoporous photoelectrode and an increase of the overall device efficiency. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Investigation of hydrogen adsorption centers on Y2O3 by IR-spectroscopy method in diffusive-scattered light

International Nuclear Information System (INIS)

Zubkov, S.A.; Borovkov, V.Yu.

1985-01-01

Adsorption of hydrogen and carbon oxide at the yttrium oxide at 80 K (5x30 3 PaH 2 ) and 300 K (6.5x10 2 PaCO) respectively are studied by the method of IR spectroscopy. It is shown, that at the surface of yttrium oxide trained in vacuum at 970 K, at least four types of centres of hydrogen adsorption, able to polarize H-H bond in a molecule, exist. Acid-base couple is the highest polarized centre, in the content of which there is a coordination-unsaturated highly-charged yttrium cation. Low-temperature dissociation of hydrogen on Y 2 O 3 surface occurs on the centres which polarized H-H bond in molecule comparatively slow

Developing Wide-Field Spatio-Spectral Interferometry for Far-Infrared Space Applications

Science.gov (United States)

Leisawitz, David; Bolcar, Matthew R.; Lyon, Richard G.; Maher, Stephen F.; Memarsadeghi, Nargess; Rinehart, Stephen A.; Sinukoff, Evan J.

2012-01-01

Interferometry is an affordable way to bring the benefits of high resolution to space far-IR astrophysics. We summarize an ongoing effort to develop and learn the practical limitations of an interferometric technique that will enable the acquisition of high-resolution far-IR integral field spectroscopic data with a single instrument in a future space-based interferometer. This technique was central to the Space Infrared Interferometric Telescope (SPIRIT) and Submillimeter Probe of the Evolution of Cosmic Structure (SPECS) space mission design concepts, and it will first be used on the Balloon Experimental Twin Telescope for Infrared Interferometry (BETTII). Our experimental approach combines data from a laboratory optical interferometer (the Wide-field Imaging Interferometry Testbed, WIIT), computational optical system modeling, and spatio-spectral synthesis algorithm development. We summarize recent experimental results and future plans.

Dust-deficient Palomar-Green Quasars and the Diversity of AGN Intrinsic IR Emission

Energy Technology Data Exchange (ETDEWEB)

Lyu, Jianwei; Rieke, G. H. [Steward Observatory, University of Arizona, 933 North Cherry Avenue, Tucson, AZ 85721 (United States); Shi, Yong, E-mail: jianwei@email.arizona.edu [School of Astronomy and Space Science, Nanjing University, Nanjing 210093 (China)

2017-02-01

To elucidate the intrinsic broadband infrared (IR) emission properties of active galactic nuclei (AGNs), we analyze the spectral energy distributions (SEDs) of 87 z ≲ 0.5 Palomar-Green (PG) quasars. While the Elvis AGN template with a moderate far-IR correction can reasonably match the SEDs of the AGN components in ∼60% of the sample (and is superior to alternatives such as that by Assef), it fails on two quasar populations: (1) hot-dust-deficient (HDD) quasars that show very weak emission thoroughly from the near-IR to the far-IR, and (2) warm-dust-deficient (WDD) quasars that have similar hot dust emission as normal quasars but are relatively faint in the mid- and far-IR. After building composite AGN templates for these dust-deficient quasars, we successfully fit the 0.3–500 μm SEDs of the PG sample with the appropriate AGN template, an infrared template of a star-forming galaxy, and a host galaxy stellar template. 20 HDD and 12 WDD quasars are identified from the SED decomposition, including seven ambiguous cases. Compared with normal quasars, the HDD quasars have AGNs with relatively low Eddington ratios and the fraction of WDD quasars increases with AGN luminosity. Moreover, both the HDD and WDD quasar populations show relatively stronger mid-IR silicate emission. Virtually identical SED properties are also found in some quasars from z = 0.5 to 6. We propose a conceptual model to demonstrate that the observed dust deficiency of quasars can result from a change of structures of the circumnuclear tori that can occur at any cosmic epoch.

2D IR spectroscopy reveals the role of water in the binding of channel-blocking drugs to the influenza M2 channel

International Nuclear Information System (INIS)

Ghosh, Ayanjeet; Gai, Feng; Hochstrasser, Robin M.; Wang, Jun; DeGrado, William F.; Moroz, Yurii S.; Korendovych, Ivan V.; Zanni, Martin

2014-01-01

Water is an integral part of the homotetrameric M2 proton channel of the influenza A virus, which not only assists proton conduction but could also play an important role in stabilizing channel-blocking drugs. Herein, we employ two dimensional infrared (2D IR) spectroscopy and site-specific IR probes, i.e., the amide I bands arising from isotopically labeled Ala30 and Gly34 residues, to probe how binding of either rimantadine or 7,7-spiran amine affects the water dynamics inside the M2 channel. Our results show, at neutral pH where the channel is non-conducting, that drug binding leads to a significant increase in the mobility of the channel water. A similar trend is also observed at pH 5.0 although the difference becomes smaller. Taken together, these results indicate that the channel water facilitates drug binding by increasing its entropy. Furthermore, the 2D IR spectral signatures obtained for both probes under different conditions collectively support a binding mechanism whereby amantadine-like drugs dock in the channel with their ammonium moiety pointing toward the histidine residues and interacting with a nearby water cluster, as predicted by molecular dynamics simulations. We believe these findings have important implications for designing new anti-influenza drugs

2D IR spectroscopy reveals the role of water in the binding of channel-blocking drugs to the influenza M2 channel

Energy Technology Data Exchange (ETDEWEB)

Ghosh, Ayanjeet, E-mail: ayanjeet@sas.upenn.edu, E-mail: gai@sas.upenn.edu; Gai, Feng, E-mail: ayanjeet@sas.upenn.edu, E-mail: gai@sas.upenn.edu; Hochstrasser, Robin M. [Department of Chemistry, University of Pennsylvania, Philadelphia, Pennsylvania 19104 (United States); Wang, Jun; DeGrado, William F. [Department of Pharmaceutical Chemistry, University of California San Francisco, San Francisco, California 94143 (United States); Moroz, Yurii S.; Korendovych, Ivan V. [Department of Chemistry, Syracuse University, Syracuse, New York 13244 (United States); Zanni, Martin [Department of Chemistry, University of Wisconsin, Madison, Wisconsin 53706 (United States)

2014-06-21

Water is an integral part of the homotetrameric M2 proton channel of the influenza A virus, which not only assists proton conduction but could also play an important role in stabilizing channel-blocking drugs. Herein, we employ two dimensional infrared (2D IR) spectroscopy and site-specific IR probes, i.e., the amide I bands arising from isotopically labeled Ala30 and Gly34 residues, to probe how binding of either rimantadine or 7,7-spiran amine affects the water dynamics inside the M2 channel. Our results show, at neutral pH where the channel is non-conducting, that drug binding leads to a significant increase in the mobility of the channel water. A similar trend is also observed at pH 5.0 although the difference becomes smaller. Taken together, these results indicate that the channel water facilitates drug binding by increasing its entropy. Furthermore, the 2D IR spectral signatures obtained for both probes under different conditions collectively support a binding mechanism whereby amantadine-like drugs dock in the channel with their ammonium moiety pointing toward the histidine residues and interacting with a nearby water cluster, as predicted by molecular dynamics simulations. We believe these findings have important implications for designing new anti-influenza drugs.

The Influence of Cholesterol on Fast Dynamics Inside of Vesicle and Planar Phospholipid Bilayers Measured with 2D IR Spectroscopy.

Science.gov (United States)

Kel, Oksana; Tamimi, Amr; Fayer, Michael D

2015-07-23

Phospholipid bilayers are frequently used as models for cell membranes. Here the influence of cholesterol on the structural dynamics in the interior of 1,2-dilauroyl-sn-glycero-3-phosphocholine (dilauroylphosphatidylcholine, DLPC) vesicles and DLPC planar bilayers are investigated as a function of cholesterol concentration. 2D IR vibrational echo spectroscopy was performed on the antisymmetric CO stretch of the vibrational probe molecule tungsten hexacarbonyl, which is located in the interior alkyl regions of the bilayers. The 2D IR experiments measure spectral diffusion, which is caused by the structural fluctuations of the bilayers. The 2D IR measurements show that the bilayer interior alkyl region dynamics occur on time scales ranging from a few picoseconds to many tens of picoseconds. These are the time scales of the bilayers' structural dynamics, which act as the dynamic solvent bath for chemical processes of membrane biomolecules. The results suggest that at least a significant fraction of the dynamics arise from density fluctuations. Samples are studied in which the cholesterol concentration is varied from 0% to 40% in both the vesicles (72 nm diameter) and fully hydrated planar bilayers in the form of aligned multibilayers. At all cholesterol concentrations, the structural dynamics are faster in the curved vesicle bilayers than in the planar bilayers. As the cholesterol concentration is increased, at a certain concentration there is a sudden change in the dynamics, that is, the dynamics abruptly slow down. However, this change occurs at a lower concentration in the vesicles (between 10% and 15% cholesterol) than in the planar bilayers (between 25% and 30% cholesterol). The sudden change in the dynamics, in addition to other IR observables, indicates a structural transition. However, the results show that the cholesterol concentration at which the transition occurs is influenced by the curvature of the bilayers.

Mid-IR spectra of different conformers of phenylalanine in the gas phase

NARCIS (Netherlands)

von Helden, G.; Compagnon, I.; Blom, M. N.; Frankowski, M.; Erlekam, U.; Oomens, J.; Brauer, B.; Gerber, R. B.; Meijer, G.

2008-01-01

The experimental mid- and far-IR spectra of six conformers of phenylalanine in the gas phase are presented. The experimental spectra are compared to spectra calculated at the B3LYP and at the MP2 level. The differences between B3LYP and MP2 IR spectra are found to be small. The agreement between

Validity and reproducibility of HOMA-IR, 1/HOMA-IR, QUICKI and McAuley's indices in patients with hypertension and type II diabetes.

Science.gov (United States)

Sarafidis, P A; Lasaridis, A N; Nilsson, P M; Pikilidou, M I; Stafilas, P C; Kanaki, A; Kazakos, K; Yovos, J; Bakris, G L

2007-09-01

The aim of this study was to evaluate the validity and reliability of homeostasis model assessment-insulin resistance (HOMA-IR) index, its reciprocal (1/HOMA-IR), quantitative insulin sensitivity check index (QUICKI) and McAuley's index in hypertensive diabetic patients. In 78 patients with hypertension and type II diabetes glucose, insulin and triglyceride levels were determined after a 12-h fast to calculate these indices, and insulin sensitivity (IS) was measured with the hyperinsulinemic euglycemic clamp technique. Two weeks later, subjects had again their glucose, insulin and triglycerides measured. Simple and multiple linear regression analysis were applied to assess the validity of these indices compared to clamp IS and coefficients of variation between the two visits were estimated to assess their reproducibility. HOMA-IR index was strongly and inversely correlated with the basic IS clamp index, the M-value (r=-0.572, PHOMA-IR and QUICKI indices were positively correlated with the M-value (r=0.342, PHOMA-IR was the best fit of clamp-derived IS. Coefficients of variation between the two visits were 23.5% for HOMA-IR, 19.2% for 1/HOMA-IR, 7.8% for QUICKI and 15.1% for McAuley's index. In conclusion, HOMA-IR, 1/HOMA-IR and QUICKI are valid estimates of clamp-derived IS in patients with hypertension and type II diabetes, whereas the validity of McAuley's index needs further evaluation. QUICKI displayed better reproducibility than the other indices.

A microwave resonator for limiting depth sensitivity for electron paramagnetic resonance spectroscopy of surfaces.

Science.gov (United States)

Sidabras, Jason W; Varanasi, Shiv K; Mett, Richard R; Swarts, Steven G; Swartz, Harold M; Hyde, James S

2014-10-01

A microwave Surface Resonator Array (SRA) structure is described for use in Electron Paramagnetic Resonance (EPR) spectroscopy. The SRA has a series of anti-parallel transmission line modes that provides a region of sensitivity equal to the cross-sectional area times its depth sensitivity, which is approximately half the distance between the transmission line centers. It is shown that the quarter-wave twin-lead transmission line can be a useful element for design of microwave resonators at frequencies as high as 10 GHz. The SRA geometry is presented as a novel resonator for use in surface spectroscopy where the region of interest is either surrounded by lossy material, or the spectroscopist wishes to minimize signal from surrounding materials. One such application is in vivo spectroscopy of human finger-nails at X-band (9.5 GHz) to measure ionizing radiation dosages. In order to reduce losses associated with tissues beneath the nail that yield no EPR signal, the SRA structure is designed to limit depth sensitivity to the thickness of the fingernail. Another application, due to the resonator geometry and limited depth penetration, is surface spectroscopy in coating or material science. To test this application, a spectrum of 1.44 μM of Mg(2+) doped polystyrene 1.1 mm thick on an aluminum surface is obtained. Modeling, design, and simulations were performed using Wolfram Mathematica (Champaign, IL; v. 9.0) and Ansys High Frequency Structure Simulator (HFSS; Canonsburg, PA; v. 15.0). A micro-strip coupling circuit is designed to suppress unwanted modes and provide a balanced impedance transformation to a 50 Ω coaxial input. Agreement between simulated and experimental results is shown.

A microwave resonator for limiting depth sensitivity for electron paramagnetic resonance spectroscopy of surfaces

Energy Technology Data Exchange (ETDEWEB)

Sidabras, Jason W.; Varanasi, Shiv K.; Hyde, James S. [Department of Biophysics, Medical College of Wisconsin, Milwaukee, Wisconsin 53211 (United States); Mett, Richard R. [Department of Biophysics, Medical College of Wisconsin, Milwaukee, Wisconsin 53211 (United States); Department of Physics and Chemistry, Milwaukee School of Engineering, Milwaukee, Wisconsin 53202 (United States); Swarts, Steven G. [Department of Radiation Oncology, University of Florida, Gainesville, Florida, 32610 (United States); Swartz, Harold M. [Department of Radiology, Geisel Medical School at Dartmouth, Hanover, New Hampshire 03755 (United States)

2014-10-15

A microwave Surface Resonator Array (SRA) structure is described for use in Electron Paramagnetic Resonance (EPR) spectroscopy. The SRA has a series of anti-parallel transmission line modes that provides a region of sensitivity equal to the cross-sectional area times its depth sensitivity, which is approximately half the distance between the transmission line centers. It is shown that the quarter-wave twin-lead transmission line can be a useful element for design of microwave resonators at frequencies as high as 10 GHz. The SRA geometry is presented as a novel resonator for use in surface spectroscopy where the region of interest is either surrounded by lossy material, or the spectroscopist wishes to minimize signal from surrounding materials. One such application is in vivo spectroscopy of human finger-nails at X-band (9.5 GHz) to measure ionizing radiation dosages. In order to reduce losses associated with tissues beneath the nail that yield no EPR signal, the SRA structure is designed to limit depth sensitivity to the thickness of the fingernail. Another application, due to the resonator geometry and limited depth penetration, is surface spectroscopy in coating or material science. To test this application, a spectrum of 1.44 μM of Mg{sup 2+} doped polystyrene 1.1 mm thick on an aluminum surface is obtained. Modeling, design, and simulations were performed using Wolfram Mathematica (Champaign, IL; v. 9.0) and Ansys High Frequency Structure Simulator (HFSS; Canonsburg, PA; v. 15.0). A micro-strip coupling circuit is designed to suppress unwanted modes and provide a balanced impedance transformation to a 50 Ω coaxial input. Agreement between simulated and experimental results is shown.

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

Directory of Open Access Journals (Sweden)

Amr Shebl Ahmed

2017-04-01

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

DETERMINATION OF CRYSTALLINITY INDEX OF CARBOHYDRATE COMPONENTS IN HEMP (CANNABIS SATIVA L. WOODY CORE BY MEANS OF FT-IR SPECTROSCOPY

Directory of Open Access Journals (Sweden)

Esat Gümüşkaya

2005-04-01

Full Text Available In this study; it was investigated chemical compositions of hemp woody core and changes in crystallinity index of its carbohydrate components by using FT-IR spectroscopy was investigated. It was determined that carbohyrate components ratio in hemp woody core were similar to that in hard wood, but lignin content in hemp woody core was higher than in hard wood. Crystallinity index of carbohydrate components in hemp woody core increased by removing amorphous components. It was designated that monoclinic structure in hemp woody core and its carbohydrate components was dominant, but triclinic ratio increased by treated chemical isolation of carbohydrate from hemp woody core.

Vibrational Micro-Spectroscopy of Human Tissues Analysis: Review.

Science.gov (United States)

Bunaciu, Andrei A; Hoang, Vu Dang; Aboul-Enein, Hassan Y

2017-05-04

Vibrational spectroscopy (Infrared (IR) and Raman) and, in particular, micro-spectroscopy and micro-spectroscopic imaging have been used to characterize developmental changes in tissues, to monitor these changes in cell cultures and to detect disease and drug-induced modifications. The conventional methods for biochemical and histophatological tissue characterization necessitate complex and "time-consuming" sample manipulations and the results are rarely quantifiable. The spectroscopy of molecular vibrations using mid-IR or Raman techniques has been applied to samples of human tissue. This article reviews the application of these vibrational spectroscopic techniques for analysis of biological tissue published between 2005 and 2015.

Photothermal IR spectroscopy with perforated membrane micromechanical resonators

DEFF Research Database (Denmark)

Kurek, Maksymilian

-IR method. In order to overcome them, string resonators were replaced by membranes. A reliable sampling technique was maintained by adding perforation to membranes and thereby essentially getting membrane porous filters. Membranes gave also access to fully integrated magnetic transduction that allowed...... for significant shrinkage and simplification of the system. An analytical model of a locally heated membrane was developed and confirmed through FEM simulations. Then, low stress silicon nitride perforated membranes were fabricated and characterized using two different experimental setups that employed optical...

Activation and thermodynamic parameter study of the heteronuclear C=O···H-N hydrogen bonding of diphenylurethane isomeric structures by FT-IR spectroscopy using the regularized inversion of an eigenvalue problem.

Science.gov (United States)

Spegazzini, Nicolas; Siesler, Heinz W; Ozaki, Yukihiro

2012-08-02

The doublet of the ν(C=O) carbonyl band in isomeric urethane systems has been extensively discussed in qualitative terms on the basis of FT-IR spectroscopy of the macromolecular structures. Recently, a reaction extent model was proposed as an inverse kinetic problem for the synthesis of diphenylurethane for which hydrogen-bonded and non-hydrogen-bonded C=O functionalities were identified. In this article, the heteronuclear C=O···H-N hydrogen bonding in the isomeric structure of diphenylurethane synthesized from phenylisocyanate and phenol was investigated via FT-IR spectroscopy, using a methodology of regularization for the inverse reaction extent model through an eigenvalue problem. The kinetic and thermodynamic parameters of this system were derived directly from the spectroscopic data. The activation and thermodynamic parameters of the isomeric structures of diphenylurethane linked through a hydrogen bonding equilibrium were studied. The study determined the enthalpy (ΔH = 15.25 kJ/mol), entropy (TΔS = 14.61 kJ/mol), and free energy (ΔG = 0.6 kJ/mol) of heteronuclear C=O···H-N hydrogen bonding by FT-IR spectroscopy through direct calculation from the differences in the kinetic parameters (δΔ(‡)H, -TδΔ(‡)S, and δΔ(‡)G) at equilibrium in the chemical reaction system. The parameters obtained in this study may contribute toward a better understanding of the properties of, and interactions in, supramolecular systems, such as the switching behavior of hydrogen bonding.

FT-IR microscopical analysis with synchrotron radiation: The microscope optics and system performance

International Nuclear Information System (INIS)

Reffner, J.A.; Martoglio, P.A.; Williams, G.P.

1995-01-01

When a Fourier transform infrared (FT-IR) microspectrometer was first interfaced with the National Synchrotron Light Source (NSLS) in September 1993, there was an instant realization that the performance at the diffraction limit had increased 40-100 times. The synchrotron source transformed the IR microspectrometer into a true IR microprobe, providing high-quality IR spectra for probe diameters at the diffraction limit. The combination of IR microspectroscopy and synchrotron radiation provides a powerful new tool for molecular spectroscopy. The ability to perform IR microspectroscopy with synchrotron radiation is still under development at Brookhaven National Laboratory, but several initial studies have been completed that demonstrate the broad-ranging applications of this technology and its potential for materials characterization

FT-IR microscopical analysis with synchrotron radiation: The microscope optics and system performance

Energy Technology Data Exchange (ETDEWEB)

Reffner, J.A.; Martoglio, P.A. [Spectra-Tech, Inc., Shelton, CT (United States); Williams, G.P. [Brookhaven National Lab., Upton, NY (United States)

1995-01-01

When a Fourier transform infrared (FT-IR) microspectrometer was first interfaced with the National Synchrotron Light Source (NSLS) in September 1993, there was an instant realization that the performance at the diffraction limit had increased 40-100 times. The synchrotron source transformed the IR microspectrometer into a true IR microprobe, providing high-quality IR spectra for probe diameters at the diffraction limit. The combination of IR microspectroscopy and synchrotron radiation provides a powerful new tool for molecular spectroscopy. The ability to perform IR microspectroscopy with synchrotron radiation is still under development at Brookhaven National Laboratory, but several initial studies have been completed that demonstrate the broad-ranging applications of this technology and its potential for materials characterization.

Depth-sensitive optical spectroscopy for noninvasive diagnosis of oral neoplasia

Science.gov (United States)

Schwarz, Richard Alan

Oral cancer is the 11th most common cancer in the world. Cancers of the oral cavity and oropharynx account for more than 7,500 deaths each year in the United States alone. Major advances have been made in the management of oral cancer through the combined use of surgery, radiotherapy and chemotherapy, improving the quality of life for many patients; however, these advances have not led to a significant increase in survival rates, primarily because diagnosis often occurs at a late stage when treatment is more difficult and less successful. Accurate, objective, noninvasive methods for early diagnosis of oral neoplasia are needed. Here a method is presented to noninvasively evaluate oral lesions using depth-sensitive optical spectroscopy (DSOS). A ball lens coupled fiber-optic probe was developed to enable preferential targeting of different depth regions in the oral mucosa. Clinical studies of the diagnostic performance of DSOS in 157 subjects were carried out in collaboration with the University of Texas M. D. Anderson Cancer Center. An overall sensitivity of 90% and specificity of 89% were obtained for nonkeratinized oral tissue relative to histopathology. Based on these results a compact, portable version of the clinical DSOS device with real-time automated diagnostic capability was developed. The portable device was tested in 47 subjects and a sensitivity of 82% and specificity of 83% were obtained for nonkeratinized oral tissue. The diagnostic potential of multimodal platforms incorporating DSOS was explored through two pilot studies. A pilot study of DSOS in combination with widefield imaging was carried out in 29 oral cancer patients, resulting in a combined sensitivity of 94% and specificity of 69%. Widefield imaging and spectroscopy performed slightly better in combination than each method performed independently. A pilot study of DSOS in combination with the optical contrast agents 2-NBDG, EGF-Alexa 647, and proflavine was carried out in resected tissue

Spin orientations of the spin-half Ir(4+) ions in Sr3NiIrO6, Sr2IrO4, and Na2IrO3: Density functional, perturbation theory, and Madelung potential analyses.

Science.gov (United States)

Gordon, Elijah E; Xiang, Hongjun; Köhler, Jürgen; Whangbo, Myung-Hwan

2016-03-21

The spins of the low-spin Ir(4+) (S = 1/2, d(5)) ions at the octahedral sites of the oxides Sr3NiIrO6, Sr2IrO4, and Na2IrO3 exhibit preferred orientations with respect to their IrO6 octahedra. We evaluated the magnetic anisotropies of these S = 1/2 ions on the basis of density functional theory (DFT) calculations including spin-orbit coupling (SOC), and probed their origin by performing perturbation theory analyses with SOC as perturbation within the LS coupling scheme. The observed spin orientations of Sr3NiIrO6 and Sr2IrO4 are correctly predicted by DFT calculations, and are accounted for by the perturbation theory analysis. As for the spin orientation of Na2IrO3, both experimental studies and DFT calculations have not been unequivocal. Our analysis reveals that the Ir(4+) spin orientation of Na2IrO3 should have nonzero components along the c- and a-axis directions. The spin orientations determined by DFT calculations are sensitive to the accuracy of the crystal structures employed, which is explained by perturbation theory analyses when interactions between adjacent Ir(4+) ions are taken into consideration. There are indications implying that the 5d electrons of Na2IrO3 are less strongly localized compared with those of Sr3NiIrO6 and Sr2IrO4. This implication was confirmed by showing that the Madelung potentials of the Ir(4+) ions are less negative in Na2IrO3 than in Sr3NiIrO6 and Sr2IrO4. Most transition-metal S = 1/2 ions do have magnetic anisotropies because the SOC induces interactions among their crystal-field split d-states, and the associated mixing of the states modifies only the orbital parts of the states. This finding cannot be mimicked by a spin Hamiltonian because this model Hamiltonian lacks the orbital degree of freedom, thereby leading to the spin-half syndrome. The spin-orbital entanglement for the 5d spin-half ions Ir(4+) is not as strong as has been assumed.

On velocity-space sensitivity of fast-ion D-alpha spectroscopy

DEFF Research Database (Denmark)

Salewski, Mirko; Geiger, B.; Moseev, Dmitry

2014-01-01

The velocity-space observation regions and sensitivities in fast-ion Dα (FIDA) spectroscopy measurements are often described by so-called weight functions. Here we derive expressions for FIDA weight functions accounting for the Doppler shift, Stark splitting, and the charge-exchange reaction...... and electron transition probabilities. Our approach yields an efficient way to calculate correctly scaled FIDA weight functions and implies simple analytic expressions for their boundaries that separate the triangular observable regions in (v‖, v⊥)-space from the unobservable regions. These boundaries...

Impact of animal density on cattle nutrition in dry Mediterranean rangelands: a faecal near-IR spectroscopy-aided study.

Science.gov (United States)

Landau, S Y; Dvash, L; Yehuda, Y; Muklada, H; Peleg, G; Henkin, Z; Voet, H; Ungar, E D

2018-02-01

In the context of determining the sustainable carrying capacity of dry-Mediterranean herbaceous rangelands, we examined the effect of animal density on cattle nutrition, which is fundamental to animal performance and welfare. The effects on dietary components of low (0.56 cows/ha; L) and high (1.11 cows/ha; H) animal densities were monitored for three consecutive years in grazing beef cows. In the dry season (summer and early autumn), cows had free access to N-rich poultry litter (PL) given as a dietary supplement. In each season, near-IR spectroscopy (NIRS) was used to predict the chemical composition of herbage samples (ash, NDF, CP, in vitro dry matter digestibility (IVDMD) and metabolizable energy (ME) content from IVDMD). Near-IR spectroscopy was applied also to faecal samples to determine the chemical composition of the diet selected by the animal, as well as the contents of ash, NDF and CP in the faeces themselves. A faecal-NIRS equation was applied to estimate the dietary proportion of PL. Seasonal categories were green, dry without PL supplementation and dry with it. We found no effects of animal density on nutrition during the green season but effects were apparent when cows consumed dry pasture. Ash content predicted by faecal NIRS was higher in the diet than in plant samples clipped from pasture, which infers that cows ingested soil. Dietary and faecal ash contents were higher (Panimals. During the dry period, dietary contents of ME were higher in L than in H (Panimal health, the above results cast doubts on the long-term sustainability of the higher of the animal densities tested. Although it may be sustainable vis-à-vis the vegetation, treatment H may have exceeded the boundaries of what is acceptable for cow health. Chemical information revealed with NIRS can be used to evaluate whether animal densities are compatible with animal health and welfare standards and can play a role in determining the carrying capacity of Mediterranean rangelands.

NEAR-IR TWO PHOTON MICROSCOPY IMAGING OF SILICA NANOPARTICLES FUNCTIONALIZED WITH ISOLATED SENSITIZED Yb(III) CENTERS

Energy Technology Data Exchange (ETDEWEB)

Lapadula, Giuseppe; Bourdolle, Adrien; Allouche, Florian; Conley, Matthew P.; Maron, Laurent; Lukens, Wayne W.; Guyot, Yannick; Andraud, Chantal; Brasselet, Sophie; Copé; ret, Christophe; Maury, Olivier; Andersen, Richard A.

2013-01-12

Bright nano objects emitting in the near infrared with a maximal cross section of 41.4 x 103 GM (Goppert Mayer), were prepared by implanting ca. 180 4,4 diethylaminostyryl 2,2 bipyridine (DEAS) Yb(III) complexes on the surface of 12 nm silica nanoparticles. The surface complexes ([DEAS Ln SiO2], Ln =Y,Yb) were characterized using IR, solid state NMR, UV Vis, EXAFS spectroscopies in combination with the preparation and characterization of similar molecular analogues by analytical techniques (IR, solution NMR, UV Vis, X ray crystallography) as well as DFT calculations. Starting from the partial dehydroxylation of the silica at 700 C on high vacuum having 0.8 OH.nm 2, the grafting of Ln(N(SiMe3)2)3 generate ≤SiO Ln(N(SiMe3)2)2, which upon thermal step and coordination of the DEAS chromophore yields (≤SiO)3Ln(DEAS). Surface and molecular analogues display similar properties, in terms of DEAS binding constants absorption maxima and luminescence properties (intense emission band assigned to a ligand centered CT fluorescence and life time) in the solid state, consistent with the molecular nature of the surface species. The densely functionalized nanoparticles can be dispersed via ultra-sonication in small ca. 15-20 nm aggregates (1 to 6 elementary particles) that were detected using two photon microscopy imaging at 720 nm excitation, making them promising nano objects for bio imaging.

Green grasses as light harvesters in dye sensitized solar cells

Science.gov (United States)

Shanmugam, Vinoth; Manoharan, Subbaiah; Sharafali, A.; Anandan, Sambandam; Murugan, Ramaswamy

2015-01-01

Chlorophylls, the major pigments presented in plants are responsible for the process of photosynthesis. The working principle of dye sensitized solar cell (DSSC) is analogous to natural photosynthesis in light-harvesting and charge separation. In a similar way, natural dyes extracted from three types of grasses viz. Hierochloe Odorata (HO), Torulinium Odoratum (TO) and Dactyloctenium Aegyptium (DA) were used as light harvesters in dye sensitized solar cells (DSSCs). The UV-Vis absorption spectroscopy, Fourier transform infrared (FT-IR), and liquid chromatography-mass spectrometry (LC-MS) were used to characterize the dyes. The electron transport mechanism and internal resistance of the DSSCs were investigated by the electrochemical impedance spectroscopy (EIS). The performance of the cells fabricated with the grass extract shows comparable efficiencies with the reported natural dyes. Among the three types of grasses, the DSSC fabricated with the dye extracted from Hierochloe Odorata (HO) exhibited the maximum efficiency. LC-MS investigations indicated that the dominant pigment present in HO dye was pheophytin a (Pheo a).

Secondary structure of bovine albumin as studied by polarization-sensitive multiplex CARS spectroscopy

NARCIS (Netherlands)

Voroshilov, A.; Voroshilov, Artemy; Otto, Cornelis; Greve, Jan

1996-01-01

The first application of polarization-sensitive multiplex coherent anti-Stokes Raman spectroscopy (MCARS) in the absence of resonance enhancement to the resolution of the secondary structure of a protein in solution is reported. Polarization MCARS spectra of bovine albumin in D2O were obtained in

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

Directory of Open Access Journals (Sweden)

Swati SONAWANE

2015-12-01

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

Third-generation intelligent IR focal plane arrays

Science.gov (United States)

Caulfield, H. John; Jack, Michael D.; Pettijohn, Kevin L.; Schlesselmann, John D.; Norworth, Joe

1998-03-01

SBRC is at the forefront of industry in developing IR focal plane arrays including multi-spectral technology and '3rd generation' functions that mimic the human eye. 3rd generation devices conduct advanced processing on or near the FPA that serve to reduce bandwidth while performing needed functions such as automatic target recognition, uniformity correction and dynamic range enhancement. These devices represent a solution for processing the exorbitantly high bandwidth coming off large area FPAs without sacrificing systems sensitivity. SBRC's two-color approach leverages the company's HgCdTe technology to provide simultaneous multiband coverage, from short through long wave IR, with near theoretical performance. IR systems that are sensitive to different spectral bands achieve enhanced capabilities for target identification and advanced discrimination. This paper will provide a summary of the issues, the technology and the benefits of SBRC's third generation smart and two-color FPAs.

Quantification of water and silanol species on various silicas by coupling IR spectroscopy and in-situ thermogravimetry.

Science.gov (United States)

Gallas, Jean-Paul; Goupil, Jean-Michel; Vimont, Alexandre; Lavalley, Jean-Claude; Gil, Barbara; Gilson, Jean-Pierre; Miserque, Olivier

2009-05-19

Five silica samples (four precipitated silicas provided by commercial suppliers and one with the MCM-41 structure) have been studied by infrared spectroscopy and by a homemade thermogravimetry-infrared spectrum (TG-IR) setup. The silanol amount, accessibility to water, and different alcohols, and the affinity to water of these various silicas were compared and quantified. TG-IR measurements allowed the precise determination of the integrated molar absorption coefficient of the (nu+delta)OH band, epsilon(nu+delta)OH=(0.16+/-0.01) cm micromol(-1). It is independent of the sample origin and the concentration of silanol groups on silicas. For the precipitated dried samples evacuated at room temperature, the silanol concentration COH varies between 3.6 and 7.0 mmol g(-1). It is 5.3 mmol g(-1) in the case of the MCM-41 sample. Exchange experiments with D2O, followed by back-exchanges with different alcohols (methanol, propan-2-ol, 2-methyl-propan-2-ol, and 3-ethyl-pentan-3-ol) have been followed by infrared spectroscopy. All of the silanols of the MCM-41 sample are accessible to water and alcohol molecules. By contrast, about 20% of the silanols in precipitated samples are not exchanged by D2O (internal silanols). Accessibility decreases with alcohol size; the main effect is relative to methanol. Taking into account the sample specific surface areas and the silanol accessibility to D2O, the surface silanol density of precipitated silicas is close to 8 OH per nm2, at maximum coverage. At variance, the silanol surface density of the MCM silica is much lower, 4 OH per nm2. The TG-IR setup has also been used to determine the amount of water adsorbed on silicas through the intensity of the deltaH2O band. It varies linearly with the concentration of adsorbed water, whatever the silica sample. The integrated molar absorption coefficient of two bands, epsilondeltaH2O=(1.53+/-0.03) cm micromol(-1) and epsilon(nu+delta)H2O=(0.22+/-0.01) cm micromol(-1), have been determined. The

Identification of Quercus agrifolia (coast live oak resistant to the invasive pathogen Phytophthora ramorum in native stands using Fourier-transform infrared (FT-IR spectroscopy

Directory of Open Access Journals (Sweden)

Anna Olivia Conrad

2014-10-01

Full Text Available Over the last two decades coast live oak (CLO dominance in many California coastal ecosystems has been threatened by the alien invasive pathogen Phytophthora ramorum, the causal agent of sudden oak death. In spite of high infection and mortality rates in some areas, the presence of apparently resistant trees has been observed, including trees that become infected but recover over time. However, identifying resistant trees based on recovery alone can take many years. The objective of this study was to determine if Fourier-transform infrared (FT-IR spectroscopy, a chemical fingerprinting technique, can be used to identify CLO resistant to P. ramorum prior to infection. Soft independent modeling of class analogy identified spectral regions that differed between resistant and susceptible trees. Regions most useful for discrimination were associated with carbonyl group vibrations. Additionally, concentrations of two putative phenolic biomarkers of resistance were predicted using partial least squares regression; > 99% of the variation was explained by this analysis. This study demonstrates that chemical fingerprinting can be used to identify resistance in a natural population of forest trees prior to infection with a pathogen. FT-IR spectroscopy may be a useful approach for managing forests impacted by sudden oak death, as well as in other situations where emerging or existing forest pests and diseases are of concern.

Use of HOMA-IR to diagnose non-alcoholic fatty liver disease: a population-based and inter-laboratory study.

Science.gov (United States)

Isokuortti, Elina; Zhou, You; Peltonen, Markku; Bugianesi, Elisabetta; Clement, Karine; Bonnefont-Rousselot, Dominique; Lacorte, Jean-Marc; Gastaldelli, Amalia; Schuppan, Detlef; Schattenberg, Jörn M; Hakkarainen, Antti; Lundbom, Nina; Jousilahti, Pekka; Männistö, Satu; Keinänen-Kiukaanniemi, Sirkka; Saltevo, Juha; Anstee, Quentin M; Yki-Järvinen, Hannele

2017-10-01

Recent European guidelines for non-alcoholic fatty liver disease (NAFLD) call for reference values for HOMA-IR. In this study, we aimed to determine: (1) the upper limit of normal HOMA-IR in two population-based cohorts; (2) the HOMA-IR corresponding to NAFLD; (3) the effect of sex and PNPLA3 genotype at rs738409 on HOMA-IR; and (4) inter-laboratory variations in HOMA-IR. We identified healthy individuals in two population-based cohorts (FINRISK 2007 [n = 5024] and the Programme for Prevention of Type 2 Diabetes in Finland [FIN-D2D; n = 2849]) to define the upper 95th percentile of HOMA-IR. Non-obese individuals with normal fasting glucose levels, no excessive alcohol use, no known diseases and no use of any drugs were considered healthy. The optimal HOMA-IR cut-off for NAFLD (liver fat ≥5.56%, based on the Dallas Heart Study) was determined in 368 non-diabetic individuals (35% with NAFLD), whose liver fat was measured using proton magnetic resonance spectroscopy ( 1 H-MRS). Samples from ten individuals were simultaneously analysed for HOMA-IR in seven European laboratories. The upper 95th percentiles of HOMA-IR were 1.9 and 2.0 in healthy individuals in the FINRISK (n = 1167) and FIN-D2D (n = 459) cohorts. Sex or PNPLA3 genotype did not influence these values. The optimal HOMA-IR cut-off for NAFLD was 1.9 (sensitivity 87%, specificity 79%). A HOMA-IR of 2.0 corresponded to normal liver fat (HOMA-IR measured in Helsinki corresponded to 1.3, 1.6, 1.8, 1.8, 2.0 and 2.1 in six other laboratories. The inter-laboratory CV% of HOMA-IR was 25% due to inter-assay variation in insulin (25%) rather than glucose (5%) measurements. The upper limit of HOMA-IR in population-based cohorts closely corresponds to that of normal liver fat. Standardisation of insulin assays would be the first step towards definition of normal values for HOMA-IR.

IR-safe and UV-safe integrands in the EFTofLSS with exact time dependence

Energy Technology Data Exchange (ETDEWEB)

Lewandowski, Matthew [Institut de Physique Théorique, Université Paris Saclay, CEA, CNRS, 91191 Gif-sur-Yvette (France); Senatore, Leonardo, E-mail: matthew.lewandowski@ipht.fr, E-mail: senatore@stanford.edu [Stanford Institute for Theoretical Physics, Stanford University, Stanford, 94306 CA (United States)

2017-08-01

Because large-scale structure surveys may very well be the next leading sources of cosmological information, it is important to have a precise understanding of the cosmological observables; for this reason, the Effective Field Theory of Large-Scale Structure (EFTofLSS) was developed. So far, most results in the EFTofLSS have used the so-called Einstein-de Sitter approximation, an approximation of the time dependence which is known to be accurate to better than one percent. However, in order to reach even higher accuracy, the full time dependence must be used. The computation with exact time dependence is sensitive to both infrared (IR) and ultraviolet (UV) effects in the loop integrands, and while these effects must cancel because of diffeomorphism invariance, they make numerical computation much less efficient. We provide a formulation of the one-loop, equal-time exact-time-dependence power spectrum of density perturbations which is manifestly free of these spurious IR and UV divergences at the level of the integrand. We extend our results to the total matter mode with clustering quintessence, show that IR and UV divergences cancel, and provide the associated IR- and UV-safe integrand. This also establishes that the consistency conditions are satisfied in this system. We then use our one-loop result to do an improved precision comparison of the two-loop dark-matter power spectrum with the Dark Sky N -body simulation.

Sensing cocaine in saliva with attenuated total reflection infrared (ATR-IR) spectroscopy combined with a one-step extraction method

Science.gov (United States)

Hans, Kerstin M.-C.; Gianella, Michele; Sigrist, Markus W.

2012-03-01

On-site drug tests have gained importance, e.g., for protecting the society from impaired drivers. Since today's drug tests are majorly only positive/negative, there is a great need for a reliable, portable and preferentially quantitative drug test. In the project IrSens we aim to bridge this gap with the development of an optical sensor platform based on infrared spectroscopy and focus on cocaine detection in saliva. We combine a one-step extraction method, a sample drying technique and infrared attenuated total reflection (ATR) spectroscopy. As a first step we have developed an extraction technique that allows us to extract cocaine from saliva to an almost infrared-transparent solvent and to record ATR spectra with a commercially available Fourier Transform-infrared spectrometer. To the best of our knowledge this is the first time that such a simple and easy-to-use one-step extraction method is used to transfer cocaine from saliva into an organic solvent and detect it quantitatively. With this new method we are able to reach a current limit of detection around 10 μg/ml. This new extraction method could also be applied to waste water monitoring and controlling caffeine content in beverages.

HERSCHEL-PACS OBSERVATIONS OF FAR-IR CO LINE EMISSION IN NGC 1068: HIGHLY EXCITED MOLECULAR GAS IN THE CIRCUMNUCLEAR DISK

Energy Technology Data Exchange (ETDEWEB)

Hailey-Dunsheath, S.; Sturm, E.; Gracia-Carpio, J.; Davies, R.; Poglitsch, A.; Contursi, A.; Genzel, R.; Lutz, D.; Tacconi, L.; De Jong, J. A. [Max-Planck-Institut fuer extraterrestrische Physik, Postfach 1312, D-85741 Garching (Germany); Fischer, J. [Naval Research Laboratory, Remote Sensing Division, 4555 Overlook Ave SW, Washington, DC 20375 (United States); Sternberg, A.; Mark, D. [Sackler School of Physics and Astronomy, Tel Aviv University, Ramat Aviv 69978 (Israel); Gonzalez-Alfonso, E. [Departamento de Fisica, Universidad de Alcala de Henares, 28871 Alcala de Henares, Madrid (Spain); Veilleux, S. [Department of Astronomy, University of Maryland, College Park, MD 20742 (United States); Verma, A., E-mail: shd@astro.caltech.edu [Department of Astrophysics, Oxford University, Oxford OX1 3RH (United Kingdom)

2012-08-10

We report the detection of far-IR CO rotational emission from the prototypical Seyfert 2 galaxy NGC 1068. Using Herschel-PACS, we have detected 11 transitions in the J{sub upper} = 14-30 (E{sub upper}/k{sub B} = 580-2565 K) range, all of which are consistent with arising from within the central 10'' (700 pc). The detected transitions are modeled as arising from two different components: a moderate-excitation (ME) component close to the galaxy systemic velocity and a high-excitation (HE) component that is blueshifted by {approx}80 km s{sup -1}. We employ a large velocity gradient model and derive n{sub H2} {approx} 10{sup 5.6} cm{sup -3}, T{sub kin} {approx} 170 K, and M{sub H2} {approx} 10{sup 6.7} M{sub Sun} for the ME component and n{sub H2} {approx} 10{sup 6.4} cm{sup -3}, T{sub kin} {approx} 570 K, and M{sub H2} {approx} 10{sup 5.6} M{sub Sun} for the HE component, although for both components the uncertainties in the density and mass are {+-}(0.6-0.9) dex. Both components arise from denser and possibly warmer gas than traced by low-J CO transitions, and the ME component likely makes a significant contribution to the mass budget in the nuclear region. We compare the CO line profiles with those of other molecular tracers observed at higher spatial and spectral resolution and find that the ME transitions are consistent with these lines arising in the {approx}200 pc diameter ring of material traced by H{sub 2} 1-0 S(1) observations. The blueshift of the HE lines may also be consistent with the bluest regions of this H{sub 2} ring, but a better kinematic match is found with a clump of infalling gas {approx}40 pc north of the active galactic nucleus (AGN). We consider potential heating mechanisms and conclude that X-ray- or shock heating of both components is viable, while far-UV heating is unlikely. We discuss the prospects of placing the HE component near the AGN and conclude that while the moderate thermal pressure precludes an association with the

Identification of Forged Bank of England 20 Gbp Banknotes Using IR Spectroscopy

Science.gov (United States)

Sonnex, Emily

2014-06-01

Bank of England notes of 20 GBP denomination have been studied using infrared spectroscopy in order to generate a method to identify forged notes. A principal aim of this work was to develop a method so that a small, compact ATR FTIR instrument could be used by bank workers, police departments or others such as shop assistants to identify forged notes in a non-lab setting. The ease of use of the instrument is the key to this method, as well as the relatively low cost. The presence of a peak at 1400 wn from the blank paper section of a forged note proved to be a successful indicator of the note's illegality for the notes that we studied. Moreover, differences between the spectra of forged and genuine 20 GBP notes were observed in the ν(OH) (ca. 3500 wn), ν(C-H) (ca. 2900 wn) and ν(C=O) (ca. 1750 wn) regions of the IR spectrum recorded for the polymer film covering the holographic strip. In cases where these simple tests fail, we have shown how an infrared microscope can be used to further differentiate genuine and forged banknotes by producing infrared maps of selected areas of the note contrasting inks with background paper. Further to this, with an announcement by the Bank of England to produce polymer banknotes in the future, the work has been extended using Australian polymer banknotes to show that the method would be transferable.

A spectroelectrochemical cell for ultrafast two-dimensional infrared spectroscopy

Energy Technology Data Exchange (ETDEWEB)

El Khoury, Youssef; Van Wilderen, Luuk J. G. W.; Vogt, Tim; Winter, Ernst; Bredenbeck, Jens, E-mail: bredenbeck@biophysik.uni-frankfurt.org, E-mail: bredenbeck@biophysik.uni-frankfurt.de [Institut für Biophysik, Johann Wolfgang Goethe-Universität, Max-von-Laue-Strasse 1, 60438 Frankfurt (Germany)

2015-08-15

A spectroelectrochemical cell has been designed to combine electrochemistry and ultrafast two-dimensional infrared (2D-IR) spectroscopy, which is a powerful tool to extract structure and dynamics information on the femtosecond to picosecond time scale. Our design is based on a gold mirror with the dual role of performing electrochemistry and reflecting IR light. To provide the high optical surface quality required for laser spectroscopy, the gold surface is made by electron beam evaporation on a glass substrate. Electrochemical cycling facilitates in situ collection of ultrafast dynamics of redox-active molecules by means of 2D-IR. The IR beams are operated in reflection mode so that they travel twice through the sample, i.e., the signal size is doubled. This methodology is optimal for small sample volumes and successfully tested with the ferricyanide/ferrocyanide redox system of which the corresponding electrochemically induced 2D-IR difference spectrum is reported.

A spectroelectrochemical cell for ultrafast two-dimensional infrared spectroscopy

International Nuclear Information System (INIS)

El Khoury, Youssef; Van Wilderen, Luuk J. G. W.; Vogt, Tim; Winter, Ernst; Bredenbeck, Jens

2015-01-01

A spectroelectrochemical cell has been designed to combine electrochemistry and ultrafast two-dimensional infrared (2D-IR) spectroscopy, which is a powerful tool to extract structure and dynamics information on the femtosecond to picosecond time scale. Our design is based on a gold mirror with the dual role of performing electrochemistry and reflecting IR light. To provide the high optical surface quality required for laser spectroscopy, the gold surface is made by electron beam evaporation on a glass substrate. Electrochemical cycling facilitates in situ collection of ultrafast dynamics of redox-active molecules by means of 2D-IR. The IR beams are operated in reflection mode so that they travel twice through the sample, i.e., the signal size is doubled. This methodology is optimal for small sample volumes and successfully tested with the ferricyanide/ferrocyanide redox system of which the corresponding electrochemically induced 2D-IR difference spectrum is reported

Catalysis of GTP Hydrolysis by Small GTPases at Atomic Detail by Integration of X-ray Crystallography, Experimental, and Theoretical IR Spectroscopy*

Science.gov (United States)

Rudack, Till; Jenrich, Sarah; Brucker, Sven; Vetter, Ingrid R.; Gerwert, Klaus; Kötting, Carsten

2015-01-01

Small GTPases regulate key processes in cells. Malfunction of their GTPase reaction by mutations is involved in severe diseases. Here, we compare the GTPase reaction of the slower hydrolyzing GTPase Ran with Ras. By combination of time-resolved FTIR difference spectroscopy and QM/MM simulations we elucidate that the Mg2+ coordination by the phosphate groups, which varies largely among the x-ray structures, is the same for Ran and Ras. A new x-ray structure of a Ran·RanBD1 complex with improved resolution confirmed this finding and revealed a general problem with the refinement of Mg2+ in GTPases. The Mg2+ coordination is not responsible for the much slower GTPase reaction of Ran. Instead, the location of the Tyr-39 side chain of Ran between the γ-phosphate and Gln-69 prevents the optimal positioning of the attacking water molecule by the Gln-69 relative to the γ-phosphate. This is confirmed in the RanY39A·RanBD1 crystal structure. The QM/MM simulations provide IR spectra of the catalytic center, which agree very nicely with the experimental ones. The combination of both methods can correlate spectra with structure at atomic detail. For example the FTIR difference spectra of RasA18T and RanT25A mutants show that spectral differences are mainly due to the hydrogen bond of Thr-25 to the α-phosphate in Ran. By integration of x-ray structure analysis, experimental, and theoretical IR spectroscopy the catalytic center of the x-ray structural models are further refined to sub-Å resolution, allowing an improved understanding of catalysis. PMID:26272610

Far-infrared spectra of yttrium-doped gold clusters Au(n)Y (n=1-9).

Science.gov (United States)

Lin, Ling; Claes, Pieterjan; Gruene, Philipp; Meijer, Gerard; Fielicke, André; Nguyen, Minh Tho; Lievens, Peter

2010-06-21

The geometric, spectroscopic, and electronic properties of neutral yttrium-doped gold clusters Au(n)Y (n=1-9) are studied by far-infrared multiple photon dissociation (FIR-MPD) spectroscopy and quantum chemical calculations. Comparison of the observed and calculated vibrational spectra allows the structures of the isomers present in the molecular beam to be determined. Most of the isomers for which the IR spectra agree best with experiment are calculated to be the energetically most stable ones. Attachment of xenon to the Au(n)Y cluster can cause changes in the IR spectra, which involve band shifts and band splittings. In some cases symmetry changes, as a result of the attachment of xenon atoms, were also observed. All the Au(n)Y clusters considered prefer a low spin state. In contrast to pure gold clusters, which exhibit exclusively planar lowest-energy structures for small sizes, several of the studied species are three-dimensional. This is particularly the case for Au(4)Y and Au(9)Y, while for some other sizes (n=5, 8) the 3D structures have an energy similar to that of their 2D counterparts. Several of the lowest-energy structures are quasi-2D, that is, slightly distorted from planar shapes. For all the studied species the Y atom prefers high coordination, which is different from other metal dopants in gold clusters.

Thermal-to-visible transducer (TVT) for thermal-IR imaging

Science.gov (United States)

Flusberg, Allen; Swartz, Stephen; Huff, Michael; Gross, Steven

2008-04-01

We have been developing a novel thermal-to-visible transducer (TVT), an uncooled thermal-IR imager that is based on a Fabry-Perot Interferometer (FPI). The FPI-based IR imager can convert a thermal-IR image to a video electronic image. IR radiation that is emitted by an object in the scene is imaged onto an IR-absorbing material that is located within an FPI. Temperature variations generated by the spatial variations in the IR image intensity cause variations in optical thickness, modulating the reflectivity seen by a probe laser beam. The reflected probe is imaged onto a visible array, producing a visible image of the IR scene. This technology can provide low-cost IR cameras with excellent sensitivity, low power consumption, and the potential for self-registered fusion of thermal-IR and visible images. We will describe characteristics of requisite pixelated arrays that we have fabricated.

REGIONAL VARIATIONS IN THE DENSE GAS HEATING AND COOLING IN M51 FROM HERSCHEL FAR-INFRARED SPECTROSCOPY

Energy Technology Data Exchange (ETDEWEB)

Parkin, T. J.; Wilson, C. D.; Schirm, M. R. P.; Foyle, K. [Department of Physics and Astronomy, McMaster University, Hamilton, Ontario, L8S 4M1 (Canada); Baes, M.; De Looze, I. [Sterrenkundig Observatorium, Universiteit Gent, Krijgslaan 281 S9, B-9000 Gent (Belgium); Boquien, M.; Boselli, A. [Laboratoire d' Astrophysique de Marseille-LAM, Université d' Aix-Marseille and CNRS, UMR7326, 38 rue F. Joliot-Curie, F-13388 Marseille Cedex 13 (France); Cooray, A. [Department of Physics and Astronomy, University of California, Irvine, CA 92697 (United States); Cormier, D. [Institut für Theoretische Astrophysik, Zentrum für Astronomie der Universität Heidelberg, Albert-Ueberle Str. 2, D-69120 Heidelberg (Germany); Karczewski, O. Ł. [Department of Physics and Astronomy, University College London, Gower Street, London WC1E 6BT (United Kingdom); Lebouteiller, V.; Madden, S. C.; Sauvage, M. [CEA, Laboratoire AIM, Irfu/SAp, Orme des Merisiers, F-91191 Gif-sur-Yvette (France); Roussel, H. [Institut d' Astrophysique de Paris, UMR7095 CNRS, Université Pierre and Marie Curie, 98 bis Boulevard Arago, F-75014 Paris (France); Spinoglio, L., E-mail: parkintj@mcmaster.ca [Istituto di Astrofisica e Planetologia Spaziali, INAF-IAPS, Via Fosso del Cavaliere 100, I-00133 Roma (Italy)

2013-10-20

We present Herschel PACS and SPIRE spectroscopy of the most important far-infrared cooling lines in M51, [C II](158 μm), [N II](122 and 205 μm), [O I](63 and 145 μm), and [O III](88 μm). We compare the observed flux of these lines with the predicted flux from a photon-dominated region model to determine characteristics of the cold gas such as density, temperature, and the far-ultraviolet (FUV) radiation field, G{sub 0}, resolving details on physical scales of roughly 600 pc. We find an average [C II]/F{sub TIR} of 4 × 10{sup –3}, in agreement with previous studies of other galaxies. A pixel-by-pixel analysis of four distinct regions of M51 shows a radially decreasing trend in both the FUV radiation field, G{sub 0}, and the hydrogen density, n, peaking in the nucleus of the galaxy, and then falling off out to the arm and interarm regions. We see for the first time that the FUV flux and gas density are similar in the differing environments of the arm and interarm regions, suggesting that the inherent physical properties of the molecular clouds in both regions are essentially the same.

Synthesis of ZnO nanopencils using wet chemical method and its investigation as LPG sensor

International Nuclear Information System (INIS)

Shimpi, Navinchandra G.; Jain, Shilpa; Karmakar, Narayan; Shah, Akshara; Kothari, D.C.; Mishra, Satyendra

2016-01-01

Highlights: • Synthesis using a simple and cost-effective wet chemical process. • Uniform, monodispersed and pure nanoparticles. • Pencil shaped rods with sharp tips. • Understanding of Growth mechanism. • Efficient LPG sensing with high response. • Morphology dependent sensing. - Abstract: ZnO nanopencils (NPCs) were prepared by a novel wet chemical process, using triethanolamine (TEA) as a mild base, which is relatively simple and cost effective method as compared to hydrothermal method. ZnO NPCs were characterized using powder X-ray diffraction (XRD), Fourier Transform Infra-Red (FTIR) spectroscopy in mid-IR and far-IR regions, X-ray Photoelectron Spectroscopy (XPS), UV–vis (UV–vis) absorption spectroscopy, room temperature Photoluminescence (PL) spectroscopy and Field Emission Scanning Electron Microscopy (FESEM). ZnO NPCs obtained, were highly pure, uniform and monodispersed.XRD pattern indicated hexagonal unit cell structure with preferred orientation along the c-axis. Sensing behaviour of ZnO NPCs was studied towards Liquefied Petroleum Gas (LPG) at different operating temperatures. The study shows that ZnO NPCs were most sensitive and promising candidate for detection of LPG at 250 °C with gas sensitivity > 60%. The high response towards LPG is due to high surface area of ZnO NPCs and their parallel alignment.

Synthesis of ZnO nanopencils using wet chemical method and its investigation as LPG sensor

Energy Technology Data Exchange (ETDEWEB)

Shimpi, Navinchandra G., E-mail: navin_shimpi@rediffmail.com [Department of Chemistry, University of Mumbai, Santacruz (East), Mumbai-400098 (India); Jain, Shilpa [Department of Chemistry, University of Mumbai, Santacruz (East), Mumbai-400098 (India); Karmakar, Narayan [Department of Physics, University of Mumbai, Santacruz (East), Mumbai-400098 (India); Shah, Akshara [Department of Chemistry, University of Mumbai, Santacruz (East), Mumbai-400098 (India); Kothari, D.C. [Department of Physics, University of Mumbai, Santacruz (East), Mumbai-400098 (India); National Centre for Nanosciences & Nanotechnology, University of Mumbai, Santacruz (East), Mumbai-400098 (India); Mishra, Satyendra [University Institute of Chemical Technology, North Maharashtra University, Jalgaon (India)

2016-12-30

Highlights: • Synthesis using a simple and cost-effective wet chemical process. • Uniform, monodispersed and pure nanoparticles. • Pencil shaped rods with sharp tips. • Understanding of Growth mechanism. • Efficient LPG sensing with high response. • Morphology dependent sensing. - Abstract: ZnO nanopencils (NPCs) were prepared by a novel wet chemical process, using triethanolamine (TEA) as a mild base, which is relatively simple and cost effective method as compared to hydrothermal method. ZnO NPCs were characterized using powder X-ray diffraction (XRD), Fourier Transform Infra-Red (FTIR) spectroscopy in mid-IR and far-IR regions, X-ray Photoelectron Spectroscopy (XPS), UV–vis (UV–vis) absorption spectroscopy, room temperature Photoluminescence (PL) spectroscopy and Field Emission Scanning Electron Microscopy (FESEM). ZnO NPCs obtained, were highly pure, uniform and monodispersed.XRD pattern indicated hexagonal unit cell structure with preferred orientation along the c-axis. Sensing behaviour of ZnO NPCs was studied towards Liquefied Petroleum Gas (LPG) at different operating temperatures. The study shows that ZnO NPCs were most sensitive and promising candidate for detection of LPG at 250 °C with gas sensitivity > 60%. The high response towards LPG is due to high surface area of ZnO NPCs and their parallel alignment.

Downwelling Far-Infrared Radiance Spectra Measured by FIRST at Cerro Toco, Chile

Science.gov (United States)

Mast, J. C.; Mlynczak, M. G.; Cageao, R.; Kratz, D. P.; Latvakoski, H.; Johnson, D. G.; Mlawer, E. J.; Turner, D. D.

2015-12-01

The Far-Infrared Spectroscopy of the Troposphere (FIRST) instrument is a Fourier transform spectrometer developed by NASA Langley Research Center in collaboration with the Space Dynamics Laboratory and the Harvard-Smithsonian Center for Astrophysics. FIRST was initially developed for measuring the far-infrared portion of Earth's longwave spectrum as a balloon borne instrument and later was reconfigured to operate as a ground-based instrument. In its current ground-based configuration FIRST was deployed at 17500 ft on Cerro Toco, a mountain in the Atacama Desert of Chile, from August to October, 2009. There the integrated precipitable water (IPW) was as low as 0.02 cm. FIRST measurements from days with IPW between 0.024 and 0.035 cm during the campaign are presented here between 200 cm-1 and 800 cm-1. Significant spectral development in the far-IR is observed over the entire 200 cm-1 to 800 cm-1 band. Water vapor and temperature profiles from radiosonde and GVRP measurements are used as inputs to the AER Line-by-Line Radiative Transfer Model (LBLRTM) utilizing the AER v3.2 line parameter database. Uncertainties in both the measured and modeled radiances are accounted for in this study. The residual LBLRTM - FIRST is calculated to assess agreement between the measured and modeled spectra. Measured and model radiances generally agree to within the combined uncertainties for wavenumbers greater than 360 cm-1. At wavenumbers less than 360 cm-1 persistent troughs in the residual are present outside of the combined uncertainties. These features are present on different days and at different water vapor amounts. Possible solutions for these features are discussed.

Constraining the Volatile Composition and Coma Photochemistry in Jupiter Family Comet 41P/Tuttle-Giacobini-Kresak with High Resolution IR and Optical Spectroscopy

Science.gov (United States)

McKay, Adam; DiSanti, Michael; Cochran, Anita; Dello Russo, Neil; Bonev, Boncho; Vervack, Ronald; Gibb, Erika; Roth, Nathan; Kawakita, Hideyo

2018-01-01

Over the past 20 years optical and IR spectroscopy of cometary comae has expanded our understanding both of cometary volatile composition and coma photochemistry. However, these observations tend to be biased towards Nearly Isotropic Comets (NIC'S) from the Oort Cloud, rather than the generally fainter and less active Jupiter Family Comets (JFC's) that are thought to originate from the Scattered Disk. However, early 2017 provided a rare opportunity to study several JFC's. We present preliminary results from IR and optical spectroscopy of JFC 41P/Tuttle-Giacobini-Kresak obtained during its 2017 apparition. IR spectra were obtained with the NIRSPEC instrument on Keck II and the new iSHELL spectrograph on NASA IRTF. High spectral resolution optical spectra were obtained with the Tull Coude spectrograph on the 2.7-meter Harlan J. Smith Telescope at McDonald Observatory. We will discuss mixing ratios of HCN, NH3, C2H6, C2H2, H2CO, and CH3OH compared to H2O and compare these to previous observations of comets. Preliminary results from the NIRSPEC observations indicate that 41P has typical C2H2 and HCN abundances compared to other JFC's, while the C2H6 abundance is similar to that of NIC's, but is enriched compared to other JFC's. H2CO appears to be heavily depleted in 41P. Analysis of the iSHELL spectra is underway and we will include results from these observations, which complement those from NIRSPEC and extend the scope or our compositional study by measuring additional molecules. We will also present abundances for CN, C2, NH2, C3, and CH obtained from the optical spectra and discuss the implications for the coma photochemistry.This work is supported by the NASA Postdoctoral Program, administered by the Universities Space Research Association, with additional funding from the NSF and NASA PAST.

Contributions to the Data Warehouse 2 and Prospects of the IRS Program

Science.gov (United States)

Barner, Frithjof; Venkataraman, V. Raghu; Makiola, Jens

2016-08-01

During 2015 and 2016, the IRS program has significantly contributed to the CSC-DA Data Warehouse. From its suite of optical EO satellites which operate in the visible, near IR and shortwave IR domain, data from the HR LISS-III and MR AWiFS sensors on board of Resourcesat-2 have been provided. Resourcesat-2 so far acquired cloud-free images of a vast majority of the first and second coverage of HR_IMAGE_2015 and several monthly MR coverages for MR_IMAGE_2015 over the EEA-39. The results regarding the above mentioned data sets will be discussed including an appraisal of the possible future role of upcoming IRS EO satellites for European data requirements.

A Study of the Deformation, Network, and Aging of Polyethylene Oxide Films by Infrared Spectroscopy and Calorimetric Measurements

Directory of Open Access Journals (Sweden)

Carl Bergeron

2012-01-01

Full Text Available The calorimetric and infrared (IR spectroscopy measurements of polyethylene oxide (PEO are used to evaluate the deformation and relaxation that films experience during a temperature cycle (30°C–90°C–30°C. After melting, the intensity of some bands decreases by 10 to 70%. During the temperature cycle, the C–O band in the 1100 cm−1 region and the C–C–O deformation bands at 650 and 500 cm−1 show some new features. A network of cooperative oxygen-hydrogen interactions between the PEO chains form in films with special history, namely, in thermally treated films, in thin films prepared from gel forming solutions, and in thick films after aging. The interchain interaction network is suggested from the IR absorption bands in the 1200 and 900 cm−1 region and also from small bands at 1144 and 956 cm−1. The network seems absent or reduced in thin films. IR spectroscopy appears a sensitive technique to study chain conformations in PEO films and in other materials where order, disorder, and the formation of intermolecular interactions coexist.

Raman, Infrared, and Laser-Induced Breakdown Spectroscopy Identification of Particles in Raw Materials.

Science.gov (United States)

Lee, Kathryn; Lankers, Markus; Valet, Oliver

2018-02-01

Raw materials need to be of a certain quality with respect to physical and chemical composition. They also need to have no contaminants, including particles, because these could indicate raw material impurities or contaminate the product. Particle identification allows determination of process conditions that caused them and whether the quality of the final product is acceptable. Particles may appear to the eye to be very different things than they actually are. They may be coated with the raw material and may consist of several components; therefore, chemical and elemental analyses are required for accuracy in proper identification and definitive information about their source. Thus, microscope versions of Raman spectroscopy, laser-induced breakdown spectroscopy (LIBS), and infrared (IR) spectroscopy are excellent tools for identifying particles in materials. Those tools are fast and accurate, and can provide chemical and elemental composition as well as images that can aid identification. The micro-analysis capabilities allow for easy analysis of different portions of samples so that multiple components can be identified and sample preparation can be reduced or eliminated. The differences in sensitivities of Raman and IR spectroscopies to different functional groups as well as the elemental analysis provided by LIBS and the image analysis provided by the microscopy makes these complementary techniques and provides the advantage of identifying various chemical components. Proper spectral searching techniques and interpretation of the results are important for interpretation and identification of trace contaminants.

2D IR spectra of cyanide in water investigated by molecular dynamics simulations

Science.gov (United States)

Lee, Myung Won; Carr, Joshua K.; Göllner, Michael; Hamm, Peter; Meuwly, Markus

2013-01-01

Using classical molecular dynamics simulations, the 2D infrared (IR) spectroscopy of CN− solvated in D2O is investigated. Depending on the force field parametrizations, most of which are based on multipolar interactions for the CN− molecule, the frequency-frequency correlation function and observables computed from it differ. Most notably, models based on multipoles for CN− and TIP3P for water yield quantitatively correct results when compared with experiments. Furthermore, the recent finding that T 1 times are sensitive to the van der Waals ranges on the CN− is confirmed in the present study. For the linear IR spectrum, the best model reproduces the full widths at half maximum almost quantitatively (13.0 cm−1 vs. 14.9 cm−1) if the rotational contribution to the linewidth is included. Without the rotational contribution, the lines are too narrow by about a factor of two, which agrees with Raman and IR experiments. The computed and experimental tilt angles (or nodal slopes) α as a function of the 2D IR waiting time compare favorably with the measured ones and the frequency fluctuation correlation function is invariably found to contain three time scales: a sub-ps, 1 ps, and one on the 10-ps time scale. These time scales are discussed in terms of the structural dynamics of the surrounding solvent and it is found that the longest time scale (≈10 ps) most likely corresponds to solvent exchange between the first and second solvation shell, in agreement with interpretations from nuclear magnetic resonance measurements.

A validated Fourier transform infrared spectroscopy method for quantification of total lactones in Inula racemosa and Andrographis paniculata.

Science.gov (United States)

Shivali, Garg; Praful, Lahorkar; Vijay, Gadgil

2012-01-01

Fourier transform infrared (FT-IR) spectroscopy is a technique widely used for detection and quantification of various chemical moieties. This paper describes the use of the FT-IR spectroscopy technique for the quantification of total lactones present in Inula racemosa and Andrographis paniculata. To validate the FT-IR spectroscopy method for quantification of total lactones in I. racemosa and A. paniculata. Dried and powdered I. racemosa roots and A. paniculata plant were extracted with ethanol and dried to remove ethanol completely. The ethanol extract was analysed in a KBr pellet by FT-IR spectroscopy. The FT-IR spectroscopy method was validated and compared with a known spectrophotometric method for quantification of lactones in A. paniculata. By FT-IR spectroscopy, the amount of total lactones was found to be 2.12 ± 0.47% (n = 3) in I. racemosa and 8.65 ± 0.51% (n = 3) in A. paniculata. The method showed comparable results with a known spectrophotometric method used for quantification of such lactones: 8.42 ± 0.36% (n = 3) in A. paniculata. Limits of detection and quantification for isoallantolactone were 1 µg and 10 µg respectively; for andrographolide they were 1.5 µg and 15 µg respectively. Recoveries were over 98%, with good intra- and interday repeatability: RSD ≤ 2%. The FT-IR spectroscopy method proved linear, accurate, precise and specific, with low limits of detection and quantification, for estimation of total lactones, and is less tedious than the UV spectrophotometric method for the compounds tested. This validated FT-IR spectroscopy method is readily applicable for the quality control of I. racemosa and A. paniculata. Copyright © 2011 John Wiley & Sons, Ltd.

Growth and phase transformations of Ir on Ge(111)

Science.gov (United States)

Mullet, C. H.; Stenger, B. H.; Durand, A. M.; Morad, J. A.; Sato, Y.; Poppenheimer, E. C.; Chiang, S.

2017-12-01

The growth of Ir on Ge(111) as a function of temperature between 23 °C and 820 °C is characterized with low energy electron microscopy (LEEM), low energy electron diffraction (LEED), scanning tunneling microscopy (STM), and x-ray photoemission spectroscopy (XPS). Deposition onto a substrate at 350 °C revealed a novel growth mode consisting of multilayer Ir islands with (√3 × √3)R30° (abbreviated as √3) structure interconnected by ;bridges; of single-layer Ir several atoms wide. For deposition onto substrates above 500 °C, the √3 Ir phase grows with dendritic morphology, and substrate step bunches act as barriers to √3 Ir growth. LEEM images showed Stranski-Krastanov growth for 650-820 °C: after the √3 phase covers the surface, corresponding to 2 monolayers (ML) Ir coverage, multilayer hexagonal-shaped Ir islands form, surrounded by regions of IrGe alloy. Hexagonal-shaped Ir islands also formed upon heating 1.2 ML of √3 Ir beyond 830 °C, which resulted in the elimination of √3 structure from the surface. The transformation from √3 to (1 × 1) structure upon heating to 830 °C was an irreversible surface phase transition. Annealing > 2.0 ML of Ir in the √3 phase above the 830 °C disorder temperature, followed by cooling, produced a (3 × 1) structure. Subsequent heating and cooling through 830 °C give evidence for a reversible (3 × 1) to (1 × 1) phase transition.

Crystal structure, IR and Mössbauer spectroscopy and magnetic properties of KZnFe(PO{sub 4}){sub 2} related to the zeolite-ABW-like compounds

Energy Technology Data Exchange (ETDEWEB)

Badri, Abdessalem [UR Matériaux Inorganiques, Faculté des Sciences, Université de Monastir, Monastir 5019 (Tunisia); Hidouri, Mourad, E-mail: mourad_hidouri@yahoo.fr [UR Matériaux Inorganiques, Faculté des Sciences, Université de Monastir, Monastir 5019 (Tunisia); Wattiaux, Alain [Institut de Chimie de la Matière Condensée de Bordeaux, CNRS, Université de Bordeaux I, 87 Avenue du Dr. A. Schweitzer, Pessac-Cedex 33608 (France); López, María Luisa; Veiga, María Luisa [Departamento de Química Inorgánica I, Facultad de Ciencias Químicas, Universidad Complutense, Madrid 28040 (Spain); Amara, Mongi Ben [UR Matériaux Inorganiques, Faculté des Sciences, Université de Monastir, Monastir 5019 (Tunisia)

2014-07-01

Highlights: • The reported structure of KZnFe(PO{sub 4}){sub 2} is closely related to the zeolite ABW-type. • The structure is described in detail. • The IR and Mössbauer spectroscopy results are reported. • The magnetic properties are developed. - Abstract: The new iron phosphate KZnFe(PO{sub 4}){sub 2} has been synthesized by flux method and solid state reaction, and characterized by X-ray diffraction, IR, Mössbauer spectroscopy and magnetic susceptibility. This compound crystallizes in the monoclinic space group C2/c with the cell parameters: a = 13.514(4) Å, b = 13.273(6) Å, c = 8.742(3) Å and β = 100.07(2)°. It displays strong similarities with the phosphates KCoAl(PO{sub 4}){sub 2} and NaCoPO{sub 4} and features some analogies with the zeolite-ABW structural type. 3D framework is built up by a corner-sharing between MO{sub 4} (M = 0.5 Zn + 0.5 Fe) and PO{sub 4} tetrahedra. The K{sup +} ions are found within crossing tunnels perpendicular to the (1 0 0), (0 1 0) and (0 0 1) planes, delimited by this framework. A Mössbauer study confirmed the presence of Fe{sup 3+} ions in a tetrahedral environment. Magnetic measurements revealed an antiferromagnetic behavior with T{sub N} = 8.5 K.

Modelling a historic oil-tank fire allows an estimation of the sensitivity of the infrared receptors in pyrophilous Melanophila beetles.

Directory of Open Access Journals (Sweden)

Helmut Schmitz

Full Text Available Pyrophilous jewel beetles of the genus Melanophila approach forest fires and there is considerable evidence that these beetles can detect fires from great distances of more than 60 km. Because Melanophila beetles are equipped with infrared receptors and are also attracted by hot surfaces it can be concluded that these infrared receptors are used for fire detection.The sensitivity of the IR receptors is still unknown. The lowest threshold published so far is 0.6 W/m(2 which, however, cannot explain the detection of forest fires by IR radiation from distances larger than approximately 10 km. To investigate the possible sensitivity of the IR receptors we assumed that beetles use IR radiation for remote fire detection and we made use of a historic report about a big oil-tank fire in Coalinga, California, in 1924. IR emission of an oil-tank fire can be calculated by "pool fire" simulations which now are used for fire safety and risk analysis. Assuming that beetles were lured to the fire from the nearest forests 25 and 130 km away, our results show that detection from a distance of 25 km requires a threshold of the IR receptors of at least 3×10(-2 W/m(2. According to our investigations most beetles became aware of the fire from a distance of 130 km. In this case the threshold has to be 1.3×10(-4 W/m(2. Because such low IR intensities are buried in thermal noise we suggest that the infrared sensory system of Melanophila beetles utilizes stochastic resonance for the detection of weak IR radiation. Our simulations also suggest that the biological IR receptors might be even more sensitive than uncooled technical IR sensors. Thus a closer look into the mode of operation of the Melanophila IR receptors seems promising for the development of novel IR sensors.

Optics Alignment of a Balloon-Borne Far-Infrared Interferometer BETTII

Science.gov (United States)

Dhabal, Arnab; Rinehart, Stephen A.; Rizzo, Maxime J.; Mundy, Lee; Sampler, Henry; Juanola Parramon, Roser; Veach, Todd; Fixsen, Dale; Vila Hernandez De Lorenzo, Jor; Silverberg, Robert F.

2017-01-01

The Balloon Experimental Twin Telescope for Infrared Interferometry (BETTII) is an 8-m baseline far-infrared (FIR: 30 90 micrometer) interferometer providing spatially resolved spectroscopy. The initial scientific focus of BETTII is on clustered star formation, but this capability likely has a much broader scientific application.One critical step in developing an interferometer, such as BETTII, is the optical alignment of the system. We discuss how we determine alignment sensitivities of different optical elements on the interferogram outputs. Accordingly, an alignment plan is executed that makes use of a laser tracker and theodolites for precise optical metrology of both the large external optics and the small optics inside the cryostat. We test our alignment on the ground by pointing BETTII to bright near-infrared sources and obtaining their images in the tracking detectors.

High sensitivity 1H-NMR spectroscopy of homeopathic remedies made in water

Science.gov (United States)

Anick, David J

2004-01-01

Background The efficacy of homeopathy is controversial. Homeopathic remedies are made via iterated shaking and dilution, in ethanol or in water, from a starting substance. Remedies of potency 12 C or higher are ultra-dilute (UD), i.e. contain zero molecules of the starting material. Various hypotheses have been advanced to explain how a UD remedy might be different from unprepared solvent. One such hypothesis posits that a remedy contains stable clusters, i.e. localized regions where one or more hydrogen bonds remain fixed on a long time scale. High sensitivity proton nuclear magnetic resonance spectroscopy has not previously been used to look for evidence of differences between UD remedies and controls. Methods Homeopathic remedies made in water were studied via high sensitivity proton nuclear magnetic resonance spectroscopy. A total of 57 remedy samples representing six starting materials and spanning a variety of potencies from 6 C to 10 M were tested along with 46 controls. Results By presaturating on the water peak, signals could be reliably detected that represented H-containing species at concentrations as low as 5 μM. There were 35 positions where a discrete signal was seen in one or more of the 103 spectra, which should theoretically have been absent from the spectrum of pure water. Of these 35, fifteen were identified as machine-generated artifacts, eight were identified as trace levels of organic contaminants, and twelve were unexplained. Of the unexplained signals, six were seen in just one spectrum each. None of the artifacts or unexplained signals occurred more frequently in remedies than in controls, using a p < .05 cutoff. Some commercially prepared samples were found to contain traces of one or more of these small organic molecules: ethanol, acetate, formate, methanol, and acetone. Conclusion No discrete signals suggesting a difference between remedies and controls were seen, via high sensitivity 1H-NMR spectroscopy. The results failed to support

Development and validation of green method for estimation of clarithromycin in pharmaceutical formulation by transmission fourier transform infrared spectroscopy

International Nuclear Information System (INIS)

Mallah, M.A.; Sherazi, S.T.H.; Mahesar, S.A.; Rauf, A.

2012-01-01

A rapid, sensitive and environmental friendly analytical method for the direct determination of clarithromycin in tablet formulations through transmission Fourier Transform Infrared (FT-IR) spectroscopy has been successfully developed for routine quality control analysis. This method avoids any sample pretreatment except grinding or use of any solvent as extraction is no more required. Standards and samples were analysed in the form of KBr pellet for recording FT-IR spectra. In the final step, chemometric method was used to filter out unmatched spectral features and the converted and filtered spectra were used to build a calibration model based on partial least square (PLS) using the FT-IR carbonyl region (C=O) from 2965-1662 cm/sup -1/. The excellent correlation coefficient (R2) was achieved (0.9999). This also fulfills the ever increasing demand of pharmaceutical industries for developing sensitive, economical and less time consuming methods for the quantification of Active Pharmaceutical Ingredients (API) while monitoring quality of finished product with total analysis time of less than three minutes. (author)

IR and Raman spectroscopy of sodium aluminophosphate vitreous materials for immobilization of high level wastes from nuclear fuel reprocessing

International Nuclear Information System (INIS)

Stefanovskij, S.V.; Myasoedov, B.F.; Remizov, M.B.; Belanova, E.A.

2014-01-01

The structure of sodium aluminophosphate vitreous materials containing constituents of high level wastes (cesium, magnesium, copper and molybdenum oxides) from uranium-graphite reactor has been studied by IR and Raman spectroscopy techniques coupled with X-ray diffraction. The structural network has been shown to be composed of short phosphorus-oxygen chains with embedded aluminum-oxygen tetrahedra. In the magnesium-bearing samples the cross-linking with Mg 2+ ions is possible. The effect of other oxides (Cs 2 O, MoO 3 , CuO) on the glass structure is negligible for the occuring amounts. The glasses have been devitrified partly at the quenching and much stronger at the annealing. It is reflected in splitting of the vibration bands of the bonds in structural units of the anionic motif of the vitreous materials. (authors)

Investigation of the hydrated 7-hydroxy-4-methylcoumarin dimer by combined IR/UV spectroscopy

International Nuclear Information System (INIS)

Stamm, A.; Schwing, K.; Gerhards, M.

2014-01-01

The first molecular beam investigations on a coumarin dimer and clusters of a coumarin dimer with water both in the neutral (S 0 ) and cationic (D 0 ) electronic ground state are performed. The structure and structural changes due to ionization of the isolated 7-hydroxy-4-methylcoumarin dimer (7H4MC) 2 as well as its mono- and dihydrate (7H4MC) 2 (H 2 O) 1-2 are analyzed by applying combined IR/UV spectroscopy compared with density functional theory calculations. In case of the neutral dimer of 7H4MC a doubly hydrogen-bonded structure is formed. This doubly hydrogen-bonded arrangement opens to a singly hydrogen-bonded structure in the ion presenting a rearrangement reaction within an isolated dimer. By attaching one or two water molecules to the neutral 7H4MC dimer water is inserted into the hydrogen bonds. In contrast to the non-hydrated species this general binding motif with water in a bridging function does not change via ionization but especially for the dihydrate the spatial arrangement of the two 7H4MC units changes strengthening the interaction between the aromatic chromophores. The presented analyses illustrate the strong dependence of binding motifs as a function of successive hydration and charge including a rearrangement reaction

IR and SFG vibrational spectroscopy of the water bend in the bulk liquid and at the liquid-vapor interface, respectively

Energy Technology Data Exchange (ETDEWEB)

Ni, Yicun; Skinner, J. L. [Theoretical Chemistry Institute and Department of Chemistry, University of Wisconsin, Madison, Wisconsin 53706 (United States)

2015-07-07

Vibrational spectroscopy of the water bending mode has been investigated experimentally to study the structure of water in condensed phases. In the present work, we calculate the theoretical infrared (IR) and sum-frequency generation (SFG) spectra of the HOH bend in liquid water and at the water liquid/vapor interface using a mixed quantum/classical approach. Classical molecular dynamics simulation is performed by using a recently developed water model that explicitly includes three-body interactions and yields a better description of the water surface. Ab-initio-based transition frequency, dipole, polarizability, and intermolecular coupling maps are developed for the spectral calculations. The calculated IR and SFG spectra show good agreement with the experimental measurements. In the theoretical imaginary part of the SFG susceptibility for the water liquid/vapor interface, we find two features: a negative band centered at 1615 cm{sup −1} and a positive band centered at 1670 cm{sup −1}. We analyze this spectrum in terms of the contributions from molecules in different hydrogen-bond classes to the SFG spectral density and also compare to SFG results for the OH stretch. SFG of the water bending mode provides a complementary picture of the heterogeneous hydrogen-bond configurations at the water surface.

IR and SFG vibrational spectroscopy of the water bend in the bulk liquid and at the liquid-vapor interface, respectively

Science.gov (United States)

Ni, Yicun; Skinner, J. L.

2015-07-01

Vibrational spectroscopy of the water bending mode has been investigated experimentally to study the structure of water in condensed phases. In the present work, we calculate the theoretical infrared (IR) and sum-frequency generation (SFG) spectra of the HOH bend in liquid water and at the water liquid/vapor interface using a mixed quantum/classical approach. Classical molecular dynamics simulation is performed by using a recently developed water model that explicitly includes three-body interactions and yields a better description of the water surface. Ab-initio-based transition frequency, dipole, polarizability, and intermolecular coupling maps are developed for the spectral calculations. The calculated IR and SFG spectra show good agreement with the experimental measurements. In the theoretical imaginary part of the SFG susceptibility for the water liquid/vapor interface, we find two features: a negative band centered at 1615 cm-1 and a positive band centered at 1670 cm-1. We analyze this spectrum in terms of the contributions from molecules in different hydrogen-bond classes to the SFG spectral density and also compare to SFG results for the OH stretch. SFG of the water bending mode provides a complementary picture of the heterogeneous hydrogen-bond configurations at the water surface.

Contribution To The Data Warehouse And Prospects Of The IRS Program

Science.gov (United States)

Barner, Frithjof; Haydn, Rupert; Parmar, Manish; Makiola, Jens

2013-12-01

Over the past two years, the IRS program has again significantly contributed to the GSC-DA Data Warehouse. From its suite of optical EO satellites which operate in the visible, near IR and shortwave IR domain, multispectral data from the HR LISS-III and MR AWiFS sensors have been provided. Both cameras are implemented on board of Resourcesat-1 and Resourcesat-2 respectively. Despite reduced capacities, the Resourcesat constellation of satellites so far acquired cloud-free images of a vast majority of the first HR coverage of CORE_001 and several monthly MR coverages for CORE_008 over the EEA-39. The results regarding the above mentioned data sets will be discussed including an appraisal of the possible future role of upcoming IRS EO satellites for European data requirements.

A dedicated storage ring for Far-IR coherent synchrotron radiation at the ALS

International Nuclear Information System (INIS)

Barry, W.C.; Baptist, K.M.; Benjegerdes, R.J.; Biocca, A.K.; Byrd, J.M.; Byrne, W.E.; Cambie, D.; Chin, M.J.; Harkins, J.P.; Kwiatkowski, S.; Li, D.; Marks, S.; Martin, M.C.; McKinney, W.R.; Munson, D.V.; Nishimura, H.; Paterson, J.A.; Plate, D.W.; Rex, K.R.; Robin, D.S.; Rossi, S.L.; Sannibale, F.; Scarvie, T.; Schlueter, R.D.; Steier, C.A.; Stover, G.D.; Thur, W.G.; Jung, J.Y.; Zbasnik, J.P.

2002-01-01

We present the concepts for a storage ring dedicated to and optimized for the production of stable coherent synchrotron radiation (CSR) over the far-infrared wavelength range from about 200 microns to 1 mm

Moving the Plasmon of LaB₆ from IR to Near-IR via Eu-Doping.

Science.gov (United States)

Mattox, Tracy M; Coffman, D Keith; Roh, Inwhan; Sims, Christopher; Urban, Jeffrey J

2018-02-01

Lanthanum hexaboride (LaB₆) has become a material of intense interest in recent years due to its low work function, thermal stability and intriguing optical properties. LaB₆ is also a semiconductor plasmonic material with the ability to support strong plasmon modes. Some of these modes uniquely stretch into the infrared, allowing the material to absorb around 1000 nm, which is of great interest to the window industry. It is well known that the plasmon of LaB₆ can be tuned by controlling particle size and shape. In this work, we explore the options available to further tune the optical properties by describing how metal vacancies and Eu doping concentrations are additional knobs for tuning the absorbance from the near-IR to far-IR in La 1-x Eu x B₆ (x = 0, 0.2, 0.5, 0.8, and 1.0). We also report that there is a direct correlation between Eu concentration and metal vacancies within the Eu 1-x La x B₆.

Detection of trace explosives on relevant substrates using a mobile platform for photothermal infrared imaging spectroscopy (PT-IRIS)

Science.gov (United States)

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

2015-05-01

This manuscript describes the results of recent tests regarding standoff detection of trace explosives on relevant substrates using a mobile platform. We are developing a technology for detection based on photo-thermal infrared (IR) imaging spectroscopy (PT-IRIS). This approach leverages one or more microfabricated IR quantum cascade lasers, tuned to strong absorption bands in the analytes and directed to illuminate an area on a surface of interest. An IR focal plane array is used to image the surface thermal emission upon laser illumination. The PT-IRIS signal is processed as a hyperspectral image cube comprised of spatial, spectral and temporal dimensions as vectors within a detection algorithm. Increased sensitivity to explosives and selectivity between different analyte types is achieved by narrow bandpass IR filters in the collection path. We have previously demonstrated the technique at several meters of stand-off distance indoors and in field tests, while operating the lasers below the infrared eye-safe intensity limit (100 mW/cm2). Sensitivity to explosive traces as small as a single 10 μm diameter particle (~1 ng) has been demonstrated. Analytes tested here include RDX, TNT, ammonium nitrate and sucrose. The substrates tested in this current work include metal, plastics, glass and painted car panels.

Catalysis of GTP hydrolysis by small GTPases at atomic detail by integration of X-ray crystallography, experimental, and theoretical IR spectroscopy.

Science.gov (United States)

Rudack, Till; Jenrich, Sarah; Brucker, Sven; Vetter, Ingrid R; Gerwert, Klaus; Kötting, Carsten

2015-10-02

Small GTPases regulate key processes in cells. Malfunction of their GTPase reaction by mutations is involved in severe diseases. Here, we compare the GTPase reaction of the slower hydrolyzing GTPase Ran with Ras. By combination of time-resolved FTIR difference spectroscopy and QM/MM simulations we elucidate that the Mg(2+) coordination by the phosphate groups, which varies largely among the x-ray structures, is the same for Ran and Ras. A new x-ray structure of a Ran·RanBD1 complex with improved resolution confirmed this finding and revealed a general problem with the refinement of Mg(2+) in GTPases. The Mg(2+) coordination is not responsible for the much slower GTPase reaction of Ran. Instead, the location of the Tyr-39 side chain of Ran between the γ-phosphate and Gln-69 prevents the optimal positioning of the attacking water molecule by the Gln-69 relative to the γ-phosphate. This is confirmed in the RanY39A·RanBD1 crystal structure. The QM/MM simulations provide IR spectra of the catalytic center, which agree very nicely with the experimental ones. The combination of both methods can correlate spectra with structure at atomic detail. For example the FTIR difference spectra of RasA18T and RanT25A mutants show that spectral differences are mainly due to the hydrogen bond of Thr-25 to the α-phosphate in Ran. By integration of x-ray structure analysis, experimental, and theoretical IR spectroscopy the catalytic center of the x-ray structural models are further refined to sub-Å resolution, allowing an improved understanding of catalysis. © 2015 by The American Society for Biochemistry and Molecular Biology, Inc.

Fourier transform infrared spectra applications to chemical systems

CERN Document Server

Ferraro, John R

1978-01-01

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

Mid-infrared spectroscopy in skin cancer cell type identification

Science.gov (United States)

Kastl, Lena; Kemper, Björn; Lloyd, Gavin R.; Nallala, Jayakrupakar; Stone, Nick; Naranjo, Valery; Penaranda, Francisco; Schnekenburger, Jürgen

2017-07-01

Mid infrared spectroscopy samples were developed for the analysis of skin tumor cell types and three dimensional tissue phantoms towards the application of midIR spectroscopy for fast and reliable skin cancer diagnostics.

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

NARCIS (Netherlands)

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

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

Vibrational Spectroscopy on Photoexcited Dye-Sensitized Films via Pump-Degenerate Four-Wave Mixing.

Science.gov (United States)

Abraham, Baxter; Fan, Hao; Galoppini, Elena; Gundlach, Lars

2018-03-01

Molecular sensitization of semiconductor films is an important technology for energy and environmental applications including solar energy conversion, photocatalytic hydrogen production, and water purification. Dye-sensitized films are also scientifically complex and interesting systems with a long history of research. In most applications, photoinduced heterogeneous electron transfer (HET) at the molecule/semiconductor interface is of critical importance, and while great progress has been made in understanding HET, many open questions remain. Of particular interest is the role of combined electronic and vibrational effects and coherence of the dye during HET. The ultrafast nature of the process, the rapid intramolecular vibrational energy redistribution, and vibrational cooling present complications in the study of vibronic coupling in HET. We present the application of a time domain vibrational spectroscopy-pump-degenerate four-wave mixing (pump-DFWM)-to dye-sensitized solid-state semiconductor films. Pump-DFWM can measure Raman-active vibrational modes that are triggered by excitation of the sample with an actinic pump pulse. Modifications to the instrument for solid-state samples and its application to an anatase TiO 2 film sensitized by a Zn-porphyrin dye are discussed. We show an effective combination of experimental techniques to overcome typical challenges in measuring solid-state samples with laser spectroscopy and observe molecular vibrations following HET in a picosecond time window. The cation spectrum of the dye shows modes that can be assigned to the linker group and a mode that is localized on the Zn-phorphyrin chromophore and that is connected to photoexcitation.

High-pressure behavior of α-boron studied on single crystals by X-ray diffraction, Raman and IR spectroscopy

Energy Technology Data Exchange (ETDEWEB)

Chuvashova, Irina, E-mail: irina.chuvashova@gmail.com [Material Physics and Technology at Extreme Conditions, Laboratory of Crystallography, University of Bayreuth, D-95440 Bayreuth (Germany); Bayerisches Geoinstitut, University of Bayreuth, D-95440 Bayreuth (Germany); Bykova, Elena; Bykov, Maxim [Bayerisches Geoinstitut, University of Bayreuth, D-95440 Bayreuth (Germany); Svitlyk, Volodymyr [European Synchrotron Radiation Facility, BP 220, F-38043 Grenoble Cedex (France); Gasharova, Biliana [Institute for Photon Science and Synchrotron Radiation, Karlsruhe Institute of Technology, P.O. Box 3640, 76021 Karlsruhe (Germany); IBPT, Karlsruhe Institute of Technology, P.O. Box 3640, 76021 Karlsruhe (Germany); Mathis, Yves-Laurent [ANKA Synchrotron Radiation Facility, Karlsruhe Institute of Technology, P.O. Box 3640, 76021 Karlsruhe (Germany); IBPT, Karlsruhe Institute of Technology, P.O. Box 3640, 76021 Karlsruhe (Germany); Caracas, Razvan [CNRS, Laboratoire de Géologie de Lyon, ENS de Lyon, UCBL Lyon 1, Université de Lyon (France); Dubrovinsky, Leonid [Bayerisches Geoinstitut, University of Bayreuth, D-95440 Bayreuth (Germany); Dubrovinskaia, Natalia [Material Physics and Technology at Extreme Conditions, Laboratory of Crystallography, University of Bayreuth, D-95440 Bayreuth (Germany)

2017-01-15

In the present study single crystals of rhombohedral α-B were investigated under pressure to 60 GPa by means of single-crystal X-ray diffraction. The bulk modulus of α-B was found to be K=224(7) GPa (K′=3.0(3)). Measurements of interatomic distances as a function of pressure revealed that the intericosahedral two-center two-electron (2c–2e) bonds are almost as stiff as some of intraicosahedral ones. The three-center two-electron (3c–2e) intericosahedral bonds show much higher compliance compared to other bonds in α-B. The vibrational properties of α-B under pressure were investigated by Raman spectroscopy at pressures up to 160 GPa and IR spectroscopy at pressures up to 53 GPa. - Graphical abstract: The rhombohedral α-B is highly incompressible and extremely stable: it maintains its crystal structure up to 160 GPa and its intericosahedral 2e2c bonds are almost as stiff as some of intraicosahedral ones. - Highlights: • Structural stability of α-B has been investigated up to 160 GPa on single crystals. • Single-crystal x-ray diffraction reveals that α-B is highly incompressible. • Compressibility of B{sub 12} icosahedra is considerably lower than that of the bulk material. • Intericosahedral 2e2c bonds are almost as stiff as some of intraicosahedral ones.

Sensitive detection of gene expression in mycobacteria under replicating and non-replicating conditions using optimized far-red reporters.

OpenAIRE

Paul Carroll; Lise J Schreuder; Julian Muwanguzi-Karugaba; Siouxsie Wiles; Brian D Robertson; Jorge Ripoll; Theresa H Ward; Gregory J Bancroft; Ulrich E Schaible; Tanya Parish

2010-01-01

Fluorescent reporter proteins have proven useful for imaging techniques in many organisms. We constructed optimized expression systems for several fluorescent proteins from the far-red region of the spectrum and analyzed their utility in several mycobacterial species. Plasmids expressing variants of the Discosoma Red fluorescent protein (DsRed) from the Mycobacterium bovis hsp60 promoter were unstable; in contrast expression from the Mycobacterium smegmatis rpsA promoter was stable. In Mycoba...

Far-ultraviolet Spectroscopy of Recent Comets with the Cosmic Origins Spectrograph on the Hubble Space Telescope

Science.gov (United States)

Feldman, Paul D.; Weaver, Harold A.; A’Hearn, Michael F.; Combi, Michael R.; Dello Russo, Neil

2018-05-01

Since its launch in 1990, the Hubble Space Telescope (HST) has served as a platform with unique capabilities for remote observations of comets in the far-ultraviolet region of the spectrum. Successive generations of imagers and spectrographs have seen large advances in sensitivity and spectral resolution enabling observations of the diverse properties of a representative number of comets during the past 25 years. To date, four comets have been observed in the far-ultraviolet by the Cosmic Origins Spectrograph (COS), the last spectrograph to be installed in HST, in 2009: 103P/Hartley 2, C/2009 P1 (Garradd), C/2012 S1 (ISON), and C/2014 Q2 (Lovejoy). COS has unprecedented sensitivity, but limited spatial information in its 2.″5 diameter circular aperture, and our objective was to determine the CO production rates from measurements of the CO Fourth Positive system in the spectral range of 1400–1700 Å. In the two brightest comets, 19 bands of this system were clearly identified. The water production rates were derived from nearly concurrent observations of the OH (0,0) band at 3085 Å by the Space Telescope Imaging Spectrograph. The derived CO/{{{H}}}2{{O}} production rate ratio ranged from ∼0.3% for Hartley 2 to ∼22% for Garradd. In addition, strong partially resolved emission features due to multiplets of S I, centered at 1429 Å and 1479 Å, and of C I at 1561 Å and 1657 Å, were observed in all four comets. Weak emission from several lines of the {{{H}}}2 Lyman band system, excited by solar Lyα and Lyβ pumped fluorescence, were detected in comet Lovejoy.

A Rapid Method of Crude Oil Analysis Using FT-IR Spectroscopy

African Journals Online (AJOL)

HP USER

Nigerian Journal of Basic and Applied Science (June,2016), 24(1): 47-55 ... ABSTRACT: This study determines the viability of the use of Fourier Transform ... IR spectra of Crude oil sample containing a mixture of both degraded (sample 151).

Rapid and quantitative detection of the microbial spoilage in milk using Fourier transform infrared spectroscopy and chemometrics.

Science.gov (United States)

Nicolaou, Nicoletta; Goodacre, Royston

2008-10-01

Microbiological safety plays a very significant part in the quality control of milk and dairy products worldwide. Current methods used in the detection and enumeration of spoilage bacteria in pasteurized milk in the dairy industry, although accurate and sensitive, are time-consuming. FT-IR spectroscopy is a metabolic fingerprinting technique that can potentially be used to deliver results with the same accuracy and sensitivity, within minutes after minimal sample preparation. We tested this hypothesis using attenuated total reflectance (ATR), and high throughput (HT) FT-IR techniques. Three main types of pasteurized milk - whole, semi-skimmed and skimmed - were used and milk was allowed to spoil naturally by incubation at 15 degrees C. Samples for FT-IR were obtained at frequent, fixed time intervals and pH and total viable counts were also recorded. Multivariate statistical methods, including principal components-discriminant function analysis and partial least squares regression (PLSR), were then used to investigate the relationship between metabolic fingerprints and the total viable counts. FT-IR ATR data for all milks showed reasonable results for bacterial loads above 10(5) cfu ml(-1). By contrast, FT-IR HT provided more accurate results for lower viable bacterial counts down to 10(3) cfu ml(-1) for whole milk and, 4 x 10(2) cfu ml(-1) for semi-skimmed and skimmed milk. Using FT-IR with PLSR we were able to acquire a metabolic fingerprint rapidly and quantify the microbial load of milk samples accurately, with very little sample preparation. We believe that metabolic fingerprinting using FT-IR has very good potential for future use in the dairy industry as a rapid method of detection and enumeration.

Proposals of electronic-vibrational energy relaxation studies by using laser pulses synchronized with IR-SR pulses

International Nuclear Information System (INIS)

Nakagawa, Hideyuki

2000-01-01

Synchrotron radiation is expected to be the sharp infrared light source for the advanced experiments on IR and FIR spectroscopy in wide research fields. Especially, synchronized use of SR with VIS and/or UV laser light is to be a promising technique for the research on the dynamical properties of the photo-excited states in condensed materials. Some proposals are attempted for high resolution IR spectroscopy to elucidate fine interaction of molecular ions in crystalline solids with their environmental field and for time-resolved IR spectroscopic studies on the electronic and vibrational energy relaxation by using laser pulses synchronized with IR-SR pulses. Several experimental results are presented in relevance to the subjects; on high-resolution FTIR spectra of cyanide ions and metal cyanide complexes in cadmium halide crystals, on the energy up-conversion process among the vibrational levels of cyanide ions in alkali halide crystals, and on the electronic-to-vibrational energy conversion process in metal cyanide complexes. (author)

Spectroscopy and reactions of vibrationally excited transient molecules

Energy Technology Data Exchange (ETDEWEB)

Dai, H.L. [Univ. of Pennsylvania, Philadelphia (United States)

1993-12-01

Spectroscopy, energy transfer and reactions of vibrationally excited transient molecules are studied through a combination of laser-based excitation techniques and efficient detection of emission from the energized molecules with frequency and time resolution. Specifically, a Time-resolved Fourier Transform Emission Spectroscopy technique has been developed for detecting dispersed laser-induced fluorescence in the IR, visible and UV regions. The structure and spectroscopy of the excited vibrational levels in the electronic ground state, as well as energy relaxation and reactions induced by specific vibronic excitations of a transient molecule can be characterized from time-resolved dispersed fluorescence in the visible and UV region. IR emissions from highly vibrational excited levels, on the other hand, reveal the pathways and rates of collision induced vibrational energy transfer.

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

International Nuclear Information System (INIS)

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

1999-01-01

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

Green grasses as light harvesters in dye sensitized solar cells.

Science.gov (United States)

Shanmugam, Vinoth; Manoharan, Subbaiah; Sharafali, A; Anandan, Sambandam; Murugan, Ramaswamy

2015-01-25

Chlorophylls, the major pigments presented in plants are responsible for the process of photosynthesis. The working principle of dye sensitized solar cell (DSSC) is analogous to natural photosynthesis in light-harvesting and charge separation. In a similar way, natural dyes extracted from three types of grasses viz. Hierochloe Odorata (HO), Torulinium Odoratum (TO) and Dactyloctenium Aegyptium (DA) were used as light harvesters in dye sensitized solar cells (DSSCs). The UV-Vis absorption spectroscopy, Fourier transform infrared (FT-IR), and liquid chromatography-mass spectrometry (LC-MS) were used to characterize the dyes. The electron transport mechanism and internal resistance of the DSSCs were investigated by the electrochemical impedance spectroscopy (EIS). The performance of the cells fabricated with the grass extract shows comparable efficiencies with the reported natural dyes. Among the three types of grasses, the DSSC fabricated with the dye extracted from Hierochloe Odorata (HO) exhibited the maximum efficiency. LC-MS investigations indicated that the dominant pigment present in HO dye was pheophytin a (Pheo a). Copyright © 2014 Elsevier B.V. All rights reserved.

Vibrational spectroscopy at very high pressures. Part 28. Raman and far-infrared spectra of some complex chlorides A2MCl6 under hydrostatic pressure

DEFF Research Database (Denmark)

Adams, David M.; Berg, Rolf W.; Williams, Alan D.

1981-01-01

Raman and far-IR mode frequency shifts with pressure have been observed under hydrostatic conditions in a gasketed diamond anvil cell (d.a.c.). Using compressibilities calculated from unit cell constants and lattice energies, Grüneisen parameters gammai have been obtained for all observed modes...... pressure curves for K2SnCl6 and [(CH3)4N]2MCl6 (M=Sn, Te, Pt) are discussed in relation to their structures. Shifts of nu-tilde i with temperature for K2ReCl6 and K2PtCl6 are analyzed into explicit and implicit anharmonic contributions. The Journal of Chemical Physics is copyrighted by The American...

Sensitive Spectroscopic Analysis of Biomarkers in Exhaled Breath

Science.gov (United States)

Bicer, A.; Bounds, J.; Zhu, F.; Kolomenskii, A. A.; Kaya, N.; Aluauee, E.; Amani, M.; Schuessler, H. A.

2018-06-01

We have developed a novel optical setup which is based on a high finesse cavity and absorption laser spectroscopy in the near-IR spectral region. In pilot experiments, spectrally resolved absorption measurements of biomarkers in exhaled breath, such as methane and acetone, were carried out using cavity ring-down spectroscopy (CRDS). With a 172-cm-long cavity, an efficient optical path of 132 km was achieved. The CRDS technique is well suited for such measurements due to its high sensitivity and good spectral resolution. The detection limits for methane of 8 ppbv and acetone of 2.1 ppbv with spectral sampling of 0.005 cm-1 were achieved, which allowed to analyze multicomponent gas mixtures and to observe absorption peaks of 12CH4 and 13CH4. Further improvements of the technique have the potential to realize diagnostics of health conditions based on a multicomponent analysis of breath samples.

Nanoantennas for surface enhanced infrared spectroscopy: Effects of interaction and higher order resonant excitations

Directory of Open Access Journals (Sweden)

J. Aizpurua

2011-09-01

Full Text Available The sensitivity in surface enhanced infrared spectroscopy (SEIRS strongly depends on where the resonant excitation is spectrally located compared to the molecular vibration that is to be enhanced. In this contribution, we study the effect of coupling in the electromagnetic properties of 2D gold nanorod arrays in the IR. We also study the SEIRS activity of higher order resonant excitations in long nanoantennas to identify polaritonic signals of a supporting SiO2 layer with nanometer thickness (3 nm on a silicon substrate.

Identification of carbonates as additives in pressure-sensitive adhesive tape substrate with Fourier transform infrared spectroscopy (FTIR) and its application in three explosive cases.

Science.gov (United States)

Lv, Jungang; Feng, Jimin; Zhang, Wen; Shi, Rongguang; Liu, Yong; Wang, Zhaohong; Zhao, Meng

2013-01-01

Pressure-sensitive tape is often used to bind explosive devices. It can become important trace evidence in many cases. Three types of calcium carbonate (heavy, light, and active CaCO(3)), which were widely used as additives in pressure-sensitive tape substrate, were analyzed with Fourier transform infrared spectroscopy (FTIR) in this study. A Spectrum GX 2000 system with a diamond anvil cell and a deuterated triglycine sulfate detector was employed for IR observation. Background was subtracted for every measurement, and triplicate tests were performed. Differences in positions of main peaks and the corresponding functional groups were investigated. Heavy CaCO(3) could be identified from the two absorptions near 873 and 855/cm, while light CaCO(3) only has one peak near 873/cm because of the low content of aragonite. Active CaCO(3) could be identified from the absorptions in the 2800-2900/cm region because of the existence of organic compounds. Tiny but indicative changes in the 878-853/cm region were found in the spectra of CaCO(3) with different content of aragonite and calcite. CaCO(3) in pressure-sensitive tape, which cannot be differentiated by scanning electron microscope/energy dispersive X-ray spectrometer and thermal analysis, can be easily identified using FTIR. The findings were successfully applied to three specific explosive cases and would be helpful in finding the possible source of explosive devices in future cases. © 2012 American Academy of Forensic Sciences.

New enhanced sensitivity infrared laser spectroscopy techniques applied to reactive plasmas and trace gas detection

NARCIS (Netherlands)

Welzel, S.

2009-01-01

Infrared laser absorption spectroscopy (IRLAS) employing both tuneable diode and quantum cascade lasers (TDLs, QCLs) has been applied with both high sensitivity and high time resolution to plasma diagnostics and trace gas measurements. TDLAS combined with a conventional White type multiple pass cell

Scalable cross-point resistive switching memory and mechanism through an understanding of H2O2/glucose sensing using an IrOx/Al2O3/W structure.

Science.gov (United States)

Chakrabarti, Somsubhra; Maikap, Siddheswar; Samanta, Subhranu; Jana, Surajit; Roy, Anisha; Qiu, Jian-Tai

2017-10-04

The resistive switching characteristics of a scalable IrO x /Al 2 O 3 /W cross-point structure and its mechanism for pH/H 2 O 2 sensing along with glucose detection have been investigated for the first time. Porous IrO x and Ir 3+ /Ir 4+ oxidation states are observed via high-resolution transmission electron microscope, field-emission scanning electron spectroscopy, and X-ray photo-electron spectroscopy. The 20 nm-thick IrO x devices in sidewall contact show consecutive long dc cycles at a low current compliance (CC) of 10 μA, multi-level operation with CC varying from 10 μA to 100 μA, and long program/erase endurance of >10 9 cycles with 100 ns pulse width. IrO x with a thickness of 2 nm in the IrO x /Al 2 O 3 /SiO 2 /p-Si structure has shown super-Nernstian pH sensitivity of 115 mV per pH, and detection of H 2 O 2 over the range of 1-100 nM is also achieved owing to the porous and reduction-oxidation (redox) characteristics of the IrO x membrane, whereas a pure Al 2 O 3 /SiO 2 membrane does not show H 2 O 2 sensing. A simulation based on Schottky, hopping, and Fowler-Nordheim tunneling conduction, and a redox reaction, is proposed. The experimental I-V curve matches very well with simulation. The resistive switching mechanism is owing to O 2- ion migration, and the redox reaction of Ir 3+ /Ir 4+ at the IrO x /Al 2 O 3 interface through H 2 O 2 sensing as well as Schottky barrier height modulation is responsible. Glucose at a low concentration of 10 pM is detected using a completely new process in the IrO x /Al 2 O 3 /W cross-point structure. Therefore, this cross-point memory shows a method for low cost, scalable, memory with low current, multi-level operation, which will be useful for future highly dense three-dimensional (3D) memory and as a bio-sensor for the future diagnosis of human diseases.

IR + VUV double resonance spectroscopy and extended density functional theory studies of ketone solvation by alcohol: 2-butanone·(methanol)n, n = 1-4 clusters.

Science.gov (United States)

Shin, Joong-Won; Bernstein, Elliot R

2017-09-28

Infrared plus vacuum ultraviolet (IR + VUV) photoionization vibrational spectroscopy of 2-butanone/methanol clusters [MEK·(MeOH) n , n = 1-4] is performed to explore structures associated with hydrogen bonding of MeOH molecules to the carbonyl functional group of the ketone. IR spectra and X3LYP/6-31++G(d,p) calculations show that multiple isomers of MEK·(MeOH) n are generated in the molecular beam as a result of several hydrogen bonding sites available to the clusters throughout the size range investigated. Isomer interconversion involving solvating MeOH rearrangement should probably occur for n = 1 and 2. The mode energy for a hydrogen bonded OH stretching transition gradually redshifts as the cluster size increases. Calculations suggest that the n = 3 cluster isomers adopt structures in which the MEK molecule is inserted into the cyclic MeOH hydrogen bond network. In larger structures, the cyclic network may be preserved.

Identification of Serine Conformers by Matrix-Isolation IR Spectroscopy Aided by Near-Infrared Laser-Induced Conformational Change, 2D Correlation Analysis, and Quantum Mechanical Anharmonic Computations.

Science.gov (United States)

Najbauer, Eszter E; Bazsó, Gábor; Apóstolo, Rui; Fausto, Rui; Biczysko, Malgorzata; Barone, Vincenzo; Tarczay, György

2015-08-20

The conformers of α-serine were investigated by matrix-isolation IR spectroscopy combined with NIR laser irradiation. This method, aided by 2D correlation analysis, enabled unambiguously grouping the spectral lines to individual conformers. On the basis of comparison of at least nine experimentally observed vibrational transitions of each conformer with empirically scaled (SQM) and anharmonic (GVPT2) computed IR spectra, six conformers were identified. In addition, the presence of at least one more conformer in Ar matrix was proved, and a short-lived conformer with a half-life of (3.7 ± 0.5) × 10(3) s in N2 matrix was generated by NIR irradiation. The analysis of the NIR laser-induced conversions revealed that the excitation of the stretching overtone of both the side chain and the carboxylic OH groups can effectively promote conformational changes, but remarkably different paths were observed for the two kinds of excitations.

Use of HOMA-IR in hepatitis C.

Science.gov (United States)

Eslam, M; Kawaguchi, T; Del Campo, J A; Sata, M; Khattab, M Abo-Elneen; Romero-Gomez, M

2011-10-01

Chronic infection with hepatitis C virus (HCV) can induce insulin resistance (IR) in a genotype-dependent manner and contributes to steatosis, progression of fibrosis and resistance to interferon plus ribavirin therapy. Our understanding of HCV-induced IR has improved considerably over the years, but certain aspects concerning its evaluation still remain elusive to clinical researchers. One of the most important issues is elucidating the ideal method for assessment of IR in the setting of hepatitis C. The hyperinsulinaemic euglycaemic clamp is the gold standard method for determining insulin sensitivity, but is impractical as it is labour intensive and time-consuming. To date, all human studies except for four where IR was evaluated in the HCV setting, an estimation of IR has been used rather than direct measurements of insulin-mediated glucose uptake. The most commonly used estimation in the HCV population is the homeostasis model assessment of insulin resistance (HOMA-IR) which is calculated from a single measurement of fasting insulin and glucose. In this article, we review the use and reporting of HOMA in the literature and provide guidance on its appropriate as well as inappropriate use in the hepatitis setting. © 2011 Blackwell Publishing Ltd.

Studies of Eu2O3 - Bi2O3 - B2O3 glasses using Raman and IR spectroscopy

International Nuclear Information System (INIS)

Pop, Lidia; Culea, Eugen N.; Bratu, I.

2004-01-01

The bismuth borate (3Bi 2 O 3 ·B 2 O 3 ) glasses were prepared with different concentrations of Eu 3+ . The structure of these systems were investigated by Raman and IR spectroscopy. The structural study reveals that the glasses contain BiO 3 , BiO 6 , BO 3 , BO 4 and Eu-O structural units. For the samples with a higher content of Eu 2 O 3 , the spectra became very large indicating a more disordered structure. The hygroscopic character of the 3Bi 2 O 3 ·B 2 O 3 glass matrix and the progressive decrease of this behaviour with increasing the Eu 2 O 3 content was observed. Therefore, we conclude that the europium oxide acts as a network modifier in these glasses. (authors)

Electrochemical and Infrared Absorption Spectroscopy Detection of SF₆ Decomposition Products.

Science.gov (United States)

Dong, Ming; Zhang, Chongxing; Ren, Ming; Albarracín, Ricardo; Ye, Rixin

2017-11-15

Sulfur hexafluoride (SF₆) gas-insulated electrical equipment is widely used in high-voltage (HV) and extra-high-voltage (EHV) power systems. Partial discharge (PD) and local heating can occur in the electrical equipment because of insulation faults, which results in SF₆ decomposition and ultimately generates several types of decomposition products. These SF₆ decomposition products can be qualitatively and quantitatively detected with relevant detection methods, and such detection contributes to diagnosing the internal faults and evaluating the security risks of the equipment. At present, multiple detection methods exist for analyzing the SF₆ decomposition products, and electrochemical sensing (ES) and infrared (IR) spectroscopy are well suited for application in online detection. In this study, the combination of ES with IR spectroscopy is used to detect SF₆ gas decomposition. First, the characteristics of these two detection methods are studied, and the data analysis matrix is established. Then, a qualitative and quantitative analysis ES-IR model is established by adopting a two-step approach. A SF₆ decomposition detector is designed and manufactured by combining an electrochemical sensor and IR spectroscopy technology. The detector is used to detect SF₆ gas decomposition and is verified to reliably and accurately detect the gas components and concentrations.

Laser-based secondary neutral mass spectroscopy: Useful yield and sensitivity

International Nuclear Information System (INIS)

Young, C.E.; Pellin, M.J.; Calaway, W.F.; Joergensen, B.; Schweitzer, E.L.; Gruen, D.M.

1986-01-01

A variety of problems exist in order to optimally apply resonance ionization spectroscopy (RIS) to the detection of sputtered neutral atoms, however. Several of these problems and their solutions are examined in this paper. First, the possible useful yields obtainable and the dependence of useful yield on various laser parameters for this type of sputtered neutral mass spectrometer (SNMS) are considered. Second, the choice of a mass spectrometer and its effect on the instrumental useful yield is explored in light of the unique ionization region for laser based SNMS. Finally a brief description of noise sources and their effect on the instrumental sensitivity is discussed. 33 refs., 12 figs

Dynamical interactions between solute and solvent studied by nonlinear infrared spectroscopy

International Nuclear Information System (INIS)

Ohta, K.; Tominaga, K.

2006-01-01

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

IR sensitive photorefractive polymers, the first updateable holographic three-dimensional display

Science.gov (United States)

Tay, Savas

This work presents recent advances in the development of infra-red sensitive photorefractive polymers, and updateable near real-time holographic 3D displays based on photorefractive polymers. Theoretical and experimental techniques used for design, fabrication and characterization of photorefractive polymers are outlined. Materials development and technical advances that made possible the use of photorefractive polymers for infra-red free-space optical communications, and 3D holographic displays are presented. Photorefractive polymers are dynamic holographic materials that allow recording of highly efficient reversible holograms. The longest operation wavelength for a photorefractive polymer before this study has been 950nm, far shorter than 1550nm, the wavelength of choice for optical communications and medical imaging. The polymers shown here were sensitized using two-photon absorption, a third order nonlinear effect, beyond the linear absorption spectrum of organic dyes, and reach 40% diffraction efficiency with a 35ms response time at this wavelength. As a consequence of two-photon absorption sensitization they exhibit non-destructive readout, which is an important advantage for applications that require high signal-to-noise ratios. Holographic 3D displays provide highly realistic images without the need for special eyewear, making them valuable tools for applications that require "situational awareness" such as medical, industrial and military imaging. Current commercially available holographic 3D displays employ photopolymers that lack image updating capability, resulting in their restricted use and high cost per 3D image. The holographic 3D display shown here employs photorefractive polymers with nearly 100% diffraction efficiency and fast writing time, hours of image persistence, rapid erasure and large area, a combination of properties that has not been shown before. The 3D display is based on stereography and utilizes world's largest photorefractive

A spirooxazine derivative as a highly sensitive cyanide sensor by means of UV-visible difference spectroscopy.

Science.gov (United States)

Zhu, Shaoyin; Li, Minjie; Sheng, Lan; Chen, Peng; Zhang, Yumo; Zhang, Sean Xiao-An

2012-12-07

A spirooxazine derivative 2-nitro-5a-(2-(4-dimethylaminophenyl)-ethylene)-6,6-dimethyl-5a,6-dihydro-12H-indolo[2,1-b][1,3]benzooxazine (P1) was explored as a sensitive cyanide probe. Different from conventional spiropyrans, P1 avoided locating the 3H-indolium cation and the 4-nitrophenolate anion in the same conjugated structure, which enhanced the positive charge of 3H-indolium cation so that the sensitivity and reaction speed were improved highly. UV-visible difference spectroscopy using P1 detection solution as a timely reference improved the measurement accuracy, prevented the error caused by the inherent absorption change of P1 solution with time. This enabled the "positive-negative alternative absorption peaks" in difference spectrum to be used as a finger-print to distinguish whether the spectral change was caused by cyanide. Benefiting from the special design of the molecular structure and the strategy of difference spectroscopy, P1 showed high selectivity and sensitivity for CN(-). A detection limit of 0.4 μM and a rate constant of 1.1 s(-1) were achieved.

Predicting gestational diabetes mellitus during the first trimester using anthropometric measurements and HOMA-IR.

Science.gov (United States)

Alptekin, Hüsnü; Çizmecioğlu, Ahmet; Işık, Hatice; Cengiz, Türkan; Yildiz, Murat; Iyisoy, Mehmet Sinan

2016-05-01

To determine the predictability of gestational diabetes mellitus (GDM) during the first trimester using the degree of insulin resistance and anthropometric measurements and to assign the risk of developing GDM by weight gained during pregnancy (WGDP). A total of 250 singleton pregnancies at 7-12 gestational weeks were studied. Body mass index (BMI), waist/hip ratio (WHR), quantitative insulin sensitivity check index (QUICKI), homeostasis model assessment-insulin resistance (HOMA-IR) scores and WGDP were determined. The backward stepwise method was applied to estimate possible associations with GDM. Cutoff points were estimated using receiver operating characteristic curve analysis. GDM was found in 20 of 227 singleton pregnancies (8.8 %). The calculated HOMA-IR, QUICKI, BMI, WHR, WGDP, and parity were significantly associated with GDM. Logistic regression analyses showed that three covariates (HOMA-IR, BMI, WGDP) remained independently associated with GDM. It was calculated as OR 1.254 (95 % CI 1.006-1.563), AUC 0.809, sensitivity 90 %, specificity 61 % with cutoff = 2.08 for HOMA-IR; OR 1.157 (CI 1.045-1.281), AUC 0.723, sensitivity 80 %, specificity 58 % with cutoff = 25.95 for BMI; OR 1.221, (CI 1.085-1.374), AUC 0.654, sensitivity 80 %, specificity 46 % with cutoff = 4.7 for WGDP. Despite a HOMA-IR score of >3.1 in pregnant women, GDM was detected in only three of 29 patients (10.3 %) if WGDP was HOMA-IR. In particular, if BMI is >25.95 kg/m(2) and the HOMA-IR score >2.08, controlling weight gain may protect against GDM.

Use of total internal reflection Raman (TIR) and attenuated total reflection infrared (ATR-IR) spectroscopy to analyze component separation in thin offset ink films after setting on coated paper surfaces.

Science.gov (United States)

Kivioja, Antti; Hartus, Timo; Vuorinen, Tapani; Gane, Patrick; Jääskeläinen, Anna-Stiina

2013-06-01

The interactive behavior of ink constituents with porous substrates during and after the offset print process has an important effect on the quality of printed products. To help elucidate the distribution of ink components between the retained ink layer and the substrate, a variety of spectroscopic and microscopic analysis techniques have been developed. This paper describes for the first time the use of total internal reflection (TIR) Raman spectroscopy to analyze the penetration behavior of separated offset ink components (linseed oil, solid color pigment) in coated papers providing chemically intrinsic information rapidly, nondestructively, and with minimal sample preparation. In addition, the already widely applied technique of attenuated total reflection infrared spectroscopy (ATR-IR) was evaluated in parallel and compared. The results of the ATR-IR Raman clearly revealed an improvement in uppermost depth resolution compared with values previously published from other nondestructive techniques, and the method is shown to be capable of providing new knowledge of the setting of thin (0.25-2 μm) offset ink films, allowing the spreading and the penetration behavior on physically different paper coating surfaces to be studied.

75 FR 38675 - Federal Acquisition Regulation; FAR Case 2008-011, Government Property

Science.gov (United States)

2010-07-02

... contractor to use the property on an independent research and development (IR&D) program rent free, if-- (a... Government for all property acquired or fabricated by the Contractor in accordance with the financing...-0029; Sequence 1] RIN 9000-AL41 Federal Acquisition Regulation; FAR Case 2008-011, Government Property...

Evaluation of Salmon Adhesion on PET-Metal Interface by ATR, FT-IR, and Raman Spectroscopy

Directory of Open Access Journals (Sweden)

E. Zumelzu

2015-01-01

Full Text Available The material employed in this study is an ecoefficient, environmentally friendly, chromium (VI-free (noncarcinogenic metal polymer. The originality of the research lies in the study of the effect of new production procedures of salmon on metal packaging with multilayer polyethylene terephthalate (PET polymer coatings. Our hypothesis states that the adhesion of postmortem salmon muscles to the PET polymer coating produces surface and structural changes that affect the functionality and limit the useful life of metal containers, compromising therefore their recycling capacity as ecomaterials. This work is focused on studying the effects of the biochemical changes of postmortem salmon on the PET coating and how muscle degradation favors adhesion to the container. The experimental design considered a series of laboratory tests of containers simulating the conditions of canned salmon, chemical and physical tests of food-contact canning to evaluate the adhesion, and characterization of changes in the multilayer PET polymer by electron microscopy, ATR, FT-IR, and Raman spectroscopy analyses. The analyses determined the effect of heat treatment of containers on the loss of freshness of canned fish and the increased adhesion to the container wall, and the limited capability of the urea treatment to remove salmon muscle from the container for recycling purposes.

Impaired Insulin Signaling is Associated with Hepatic Mitochondrial Dysfunction in IR+/−-IRS-1+/− Double Heterozygous (IR-IRS1dh Mice

Directory of Open Access Journals (Sweden)

Andras Franko

2017-05-01

Full Text Available Mitochondria play a pivotal role in energy metabolism, but whether insulin signaling per se could regulate mitochondrial function has not been identified yet. To investigate whether mitochondrial function is regulated by insulin signaling, we analyzed muscle and liver of insulin receptor (IR+/−-insulin receptor substrate-1 (IRS-1+/− double heterozygous (IR-IRS1dh mice, a well described model for insulin resistance. IR-IRS1dh mice were studied at the age of 6 and 12 months and glucose metabolism was determined by glucose and insulin tolerance tests. Mitochondrial enzyme activities, oxygen consumption, and membrane potential were assessed using spectrophotometric, respirometric, and proton motive force analysis, respectively. IR-IRS1dh mice showed elevated serum insulin levels. Hepatic mitochondrial oxygen consumption was reduced in IR-IRS1dh animals at 12 months of age. Furthermore, 6-month-old IR-IRS1dh mice demonstrated enhanced mitochondrial respiration in skeletal muscle, but a tendency of impaired glucose tolerance. On the other hand, 12-month-old IR-IRS1dh mice showed improved glucose tolerance, but normal muscle mitochondrial function. Our data revealed that deficiency in IR/IRS-1 resulted in normal or even elevated skeletal muscle, but impaired hepatic mitochondrial function, suggesting a direct cross-talk between insulin signaling and mitochondria in the liver.

Fabrication and characterization of implantable and flexible nerve cuff electrodes with Pt, Ir and IrOx films deposited by RF sputtering

International Nuclear Information System (INIS)

Lee, Soo Hyun; Jung, Jung Hwan; Chae, Youn Mee; Kang, Ji Yoon; Suh, Jun-Kyo Francis

2010-01-01

This paper presents the fabrication and characterization of implantable and flexible nerve cuff electrodes for neural interfaces using the conventional BioMEMS technique. In order to fabricate a flexible nerve electrode, polyimide (PI) was chosen as the substrate material. Then, nerve electrodes were thermally re-formed in a cuff shape so as to increase the area in which the charges were transferred to the nerve. Platinum (Pt), iridium (Ir) and iridium oxide (IrO x ) films, which were to serve as conducting materials for the nerve electrodes, were deposited at different working pressures by RF magnetron sputtering. The electrochemical properties of the deposited films were characterized by electrochemical impedance spectroscopy (EIS). The charge delivery capacities of the films were recorded and calculated by cyclic voltammetry (CV). The deposited films of Pt, Ir and IrO x have strong differences in electrochemical properties, which depend on the working pressure of sputter. Each film deposited at 30 mTorr of working pressure shows the highest value of charge delivery capacity (CDC). For the IrO x films, the electrochemical properties were strongly affected by the working pressure as well as the Ar:O 2 gas ratio. The IrO x film deposited with an Ar:O 2 gas ratio of 8:1 showed the highest CDC of 59.5 mC cm −2 , which was about five times higher than that of films deposited with a 1:1 gas ratio.

Acid-base properties, FT-IR, FT-Raman spectroscopy and computational study of 1-(pyrid-4-yl)piperazine.

Science.gov (United States)

Mary, Y Sheena; Panicker, C Yohannan; Varghese, Hema Tresa; Van Alsenoy, Christian; Procházková, Markéta; Sevčík, Richard; Pazdera, Pavel

2014-01-01

We report the vibrational spectral analysis was carried out using FT-IR and FT-Raman spectroscopy for 1-(pyrid-4-yl)piperazine (PyPi). Single crystals of PyPi suitable for X-ray structural analysis were obtained. The acid-base properties are also reported. PyPi supported on a weak acid cation-exchanger in the single protonated form and this system can be used efficiently as the solid supported analogue of 4-N,N-dimethyl-aminopyridine. The complete vibrational assignments of wavenumbers were made on the basis of potential energy distribution. The HOMO and LUMO analysis is used to determine the charge transfer within the molecule and with the molecular electrostatic potential map was applied for the reactivity assessment of PyPi molecule toward proton, electrophiles and nucleopholes as well. The stability of the molecule arising from hyper-conjugative interaction and charge delocalization has been analyzed using NBO analysis. The calculated first hyperpolarizability of PyPi is 17.46 times that of urea. Copyright © 2013 Elsevier B.V. All rights reserved.

Atomic-layer deposited IrO2 nanodots for charge-trap flash-memory devices

International Nuclear Information System (INIS)

Choi, Sangmoo; Cha, Young-Kwan; Seo, Bum-Seok; Park, Sangjin; Park, Ju-Hee; Shin, Sangmin; Seol, Kwang Soo; Park, Jong-Bong; Jung, Young-Soo; Park, Youngsoo; Park, Yoondong; Yoo, In-Kyeong; Choi, Suk-Ho

2007-01-01

Charge-trap flash- (CTF) memory structures have been fabricated by employing IrO 2 nanodots (NDs) grown by atomic-layer deposition. A band of isolated IrO 2 NDs of about 3 nm lying almost parallel to Si/SiO 2 interface is confirmed by transmission electron microscopy and x-ray photoelectron spectroscopy. The memory device with IrO 2 NDs shows much larger capacitance-voltage (C-V) hysteresis and memory window compared with the control sample without IrO 2 NDs. After annealing at 800 deg. C for 20 min, the ND device shows almost no change in the width of C-V hysteresis and the ND distribution. These results indicate that the IrO 2 NDs embedded in SiO 2 can be utilized as thermally stable, discrete charge traps, promising for metal oxide-ND-based CTF memory devices

Combined microcalorimetric and IR spectroscopic study on carbon dioxide adsorption in H-MCM-22

Energy Technology Data Exchange (ETDEWEB)

Arean, C.O., E-mail: co.arean@uib.es [Department of Chemistry, University of the Balearic Islands, 07122 Palma de Mallorca (Spain); Delgado, M.R. [Department of Chemistry, University of the Balearic Islands, 07122 Palma de Mallorca (Spain); Bulánek, R.; Frolich, K. [Department of Physical Chemistry, Faculty of Chemical Technology, University of Pardubice, 532 10 Pardubice (Czech Republic)

2014-10-15

Highlights: • Adsorption calorimetry and variable temperature IR spectroscopy is used to study adsorption of CO{sub 2} in the protonic zeolite H-MCM-22. • By simultaneously recording IR absorbance over a temperature range, temperature and equilibrium pressure, standard adsorption enthalpy and entropy of CO{sub 2} was determined. • The results are discussed in the broader context of carbon dioxide capture from the flue gas of fossil fuel fired power stations. - Abstract: The thermodynamics of carbon dioxide adsorption in the protonic zeolite H-MCM-22 (Si:Al = 16:1) was investigated by means of adsorption calorimetry and variable-temperature IR spectroscopy, a technique that affords determination of standard adsorption enthalpy (ΔH{sup 0}) and entropy (ΔS{sup 0}) from analysis of a series of IR spectra recorded over a temperature range while simultaneously measuring equilibrium pressure inside a closed IR cell. ΔH{sup 0} resulted to be −24.5 (±2) kJ mol{sup −1}, while for the entropy change the value of ΔS{sup 0} = −115 (±10) J mol{sup −1} K{sup −1} was obtained. The obtained ΔH{sup 0} value is compared with those reported in the literature for the adsorption of CO{sub 2} on other zeolites, and discussed in the context of carbon dioxide capture and sequestration.

Attenuated Total Reflection Fourier Transform Infrared (ATR FT-IR) for Rapid Determination of Microbial Cell Lipid Content: Correlation with Gas Chromatography-Mass Spectrometry (GC-MS).

Science.gov (United States)

Millan-Oropeza, Aaron; Rebois, Rolando; David, Michelle; Moussa, Fathi; Dazzi, Alexandre; Bleton, Jean; Virolle, Marie-Joelle; Deniset-Besseau, Ariane

2017-10-01

There is a growing interest worldwide for the production of renewable oil without mobilizing agriculture lands; fast and reliable methods are needed to identify highly oleaginous microorganisms of potential industrial interest. The aim of this study was to demonstrate the relevance of attenuated total reflection (ATR) spectroscopy to achieve this goal. To do so, the total lipid content of lyophilized samples of five Streptomyces strains with varying lipid content was assessed with two classical quantitative but time-consuming methods, gas chromatography-mass spectrometry (GC-MS) and ATR Fourier transform infrared (ATR FT-IR) spectroscopy in transmission mode with KBr pellets and the fast ATR method, often questioned for its lack of reliability. A linear correlation between these three methods was demonstrated allowing the establishment of equations to convert ATR values expressed as CO/amide I ratio, into micrograms of lipid per milligram of biomass. The ATR method proved to be as reliable and quantitative as the classical GC-MS and FT-IR in transmission mode methods but faster and more reproducible than the latter since it involves far less manipulation for sample preparation than the two others. Attenuated total reflection could be regarded as an efficient fast screening method to identify natural or genetically modified oleaginous microorganisms by the scientific community working in the field of bio-lipids.

Characterization of Meldrum's acid derivative 5-(5-Ethyl-1,3,4-thiadiazol-2-ylamino)methylene-2,2-dimethyl-1,3-dioxane-4,6-dione by Raman and FT-IR spectroscopy and DFT calculations

Science.gov (United States)

de Toledo, T. A.; da Silva, L. E.; Teixeira, A. M. R.; Freire, P. T. C.; Pizani, P. S.

2015-07-01

In this study, the structural and vibrational properties of Meldrum's acid derivative 5-(5-Ethyl-1,3,4-thiadiazol-2-ylamino)methylene-2,2-dimethyl-1,3-dioxane-4,6-dione, C11H13N3O4S were studied combining experimental techniques such as Raman and FT-IR spectroscopy and density functional theory (DFT) calculations. The Raman and FT-IR spectra were recorded at room conditions in the regions from 80 to 3400 cm-1 and 400 to 4000 cm-1, respectively. Vibrational wavenumbers were predicted using DFT calculations with the hybrid functional B3LYP and basis set 6-31G(d,p). A comparison between experimental and theoretical data is provided for the Raman and FT-IR spectra. The descriptions of the normal modes were carried by means of potential energy distribution (PED).

Attenuated Total Reflection Fourier Transform Infrared (ATR FT-IR) Spectroscopy as a Forensic Method to Determine the Composition of Inks Used to Print the United States One-cent Blue Benjamin Franklin Postage Stamps of the 19th Century.

Science.gov (United States)

Brittain, Harry G

2016-01-01

Through the combined use of infrared (IR) absorption spectroscopy and attenuated total reflectance (ATR) sampling, the composition of inks used to print the many different types of one-cent Benjamin Franklin stamps of the 19th century has been established. This information permits a historical evaluation of the formulations used at various times, and also facilitates the differentiation of the various stamps from each other. In two instances, the ink composition permits the unambiguous identification of stamps whose appearance is identical, and which (until now) have only been differentiated through estimates of the degree of hardness or softness of the stamp paper, or through the presence or absence of a watermark in the paper. In these instances, the use of ATR Fourier transform infrared spectroscopy (FT-IR) spectroscopy effectively renders irrelevant two 100-year-old practices of stamp identification. Furthermore, since the use of ATR sampling makes it possible to obtain the spectrum of a stamp still attached to its cover, it is no longer necessary to identify these blue Franklin stamps using their cancellation dates. © The Author(s) 2015.

Infrared spectroscopy of mass-selected carbocations

Energy Technology Data Exchange (ETDEWEB)

Duncan, Michael A. [Department of Chemistry, University of Georgia, Athens, Georgia 30602 (United States)

2015-01-22

Small carbocations are of longstanding interest in astrophysics, but there are few measurements of their infrared spectroscopy in the gas phase at low temperature. There are fewer-still measurements of spectra across the full range of IR frequencies useful to obtain an IR signature of these ions to detect them in space. We have developed a pulsed-discharge supersonic nozzle ion source producing high densities of small carbocations at low temperatures (50–70K). We employ mass-selected photodissociation spectroscopy and the method of rare gas “tagging”, together with new broadly tunable infrared OPO lasers, to obtain IR spectra for a variety of small carbocations including C{sub 2}H{sub 3}{sup +}, C{sub 3}H{sub 3}{sup +}, C{sub 3}H{sub 5}{sup +}, protonated benzene and protonated naphthalene. Spectra in the frequency range of 600–4500 cm{sup −1} provide new IR data for these ions and evidence for the presence of co-existing isomeric structures (e.g., C{sub 3}H{sub 3}{sup +} is present as both cyclopropenyl and propargyl). Protonated naphthalene has sharp bands at 6.2, 7.7 and 8.6 microns matching prominent features in the UIR spectra.

On the Spatially Resolved Star Formation History in M51. I. Hybrid UV+IR Star Formation Laws and IR Emission from Dust Heated by Old Stars